data_PRD_000001
# 
_pdbx_reference_molecule.prd_id                       PRD_000001 
_pdbx_reference_molecule.name                         "Actinomycin D" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C62 H86 N12 O16" 
_pdbx_reference_molecule.formula_weight               1255.5 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;ACTINOMYCIN D IS A BICYCLIC PEPTIDE, A MEMBER OF THE
ACTINOMYCIN FAMILY.
HERE, ACTINOMYCIN D IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;ACTINOMYCIN D CONSISTS OF TWO PENTAMER
RINGS LINKED BY THE CHROMOPHORE (PXZ)
;
_pdbx_reference_molecule.representative_PDB_id_code   1a7y 
# 
_pdbx_reference_entity_list.prd_id          PRD_000001 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 11" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000001 1 1  C     THR 1  N  DVA 2  sing 1 ? ? ? 
PRD_000001 1 2  OG1   THR 1  C  MVA 5  sing 1 ? ? ? 
PRD_000001 1 3  N     THR 1  C0 PXZ 6  sing 1 ? ? ? 
PRD_000001 1 4  C     DVA 2  N  PRO 3  sing 1 ? ? ? 
PRD_000001 1 5  C     PRO 3  N  SAR 4  sing 1 ? ? ? 
PRD_000001 1 6  C     SAR 4  N  MVA 5  sing 1 ? ? ? 
PRD_000001 1 7  "C0'" PXZ 6  N  THR 7  sing 1 ? ? ? 
PRD_000001 1 8  C     THR 7  N  DVA 8  sing 1 ? ? ? 
PRD_000001 1 9  OG1   THR 7  C  MVA 11 sing 1 ? ? ? 
PRD_000001 1 10 C     DVA 8  N  PRO 9  sing 1 ? ? ? 
PRD_000001 1 11 C     PRO 9  N  SAR 10 sing 1 ? ? ? 
PRD_000001 1 12 C     SAR 10 N  MVA 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000001 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00228 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000001 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000001 1 1  THR THR N Y 
PRD_000001 1 2  DVA VAL N Y 
PRD_000001 1 3  PRO PRO N Y 
PRD_000001 1 4  SAR GLY N Y 
PRD_000001 1 5  MVA VAL N Y 
PRD_000001 1 6  PXZ ?   N Y 
PRD_000001 1 7  THR THR N Y 
PRD_000001 1 8  DVA VAL N Y 
PRD_000001 1 9  PRO PRO N Y 
PRD_000001 1 10 SAR GLY N Y 
PRD_000001 1 11 MVA VAL N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000001 1 1 146923 "Streptomyces parvulus"     ? D00214   KEGG   ? 
PRD_000001 1 2 ?      "Streptomyces chrysomallus" ? C06770   KEGG   ? 
PRD_000001 1 3 1892   "Streptomyces anulatus"     ? NOR00228 Norine ? 
PRD_000001 1 4 1890   "Streptomyces antibioticus" ? NOR00228 Norine ? 
PRD_000001 1 5 146923 "Streptomyces parvulus"     ? NOR00228 Norine ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000001 2012-02-01 RCSB "Create molecule"    
PRD_000001 2012-07-09 PDBE "Other modification" 
PRD_000001 2012-12-12 RCSB "Initial release"    
PRD_000001 2013-06-03 RCSB "Other modification" 
PRD_000001 2013-08-02 RCSB "Other modification" 
PRD_000001 2017-05-04 RCSB "Other modification" 
PRD_000001 2023-09-20 PDBE "Modify audit"       
PRD_000001 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000006
# 
_pdbx_reference_molecule.prd_id                       PRD_000006 
_pdbx_reference_molecule.name                         "8-Fluoro-Actinomycin D" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C62 H85 F N12 O16" 
_pdbx_reference_molecule.formula_weight               1273.49 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;ACTINOMYCIN D IS A BICYCLIC PEPTIDE, A MEMBER OF THE
ACTINOMYCIN FAMILY.
HERE, ACTINOMYCIN D IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;ACTINOMYCIN D CONSISTS OF TWO PENTAMER
RINGS LINKED BY THE CHROMOPHORE (PXF)
THE CHROMOPHORE PXF IS A MODIFIED PXZ WITH
C-F REPLACING C-H IN POSITION 8 OF THE
PHENOXAZONE RING.
;
_pdbx_reference_molecule.representative_PDB_id_code   316d 
# 
_pdbx_reference_entity_list.prd_id          PRD_000006 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 11" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000006 1 1  C     THR 1  N  DVA 2  sing 1 ? ? ? 
PRD_000006 1 2  OG1   THR 1  C  MVA 5  sing 1 ? ? ? 
PRD_000006 1 3  N     THR 1  C0 PXF 6  sing 1 ? ? ? 
PRD_000006 1 4  C     DVA 2  N  PRO 3  sing 1 ? ? ? 
PRD_000006 1 5  C     PRO 3  N  SAR 4  sing 1 ? ? ? 
PRD_000006 1 6  C     SAR 4  N  MVA 5  sing 1 ? ? ? 
PRD_000006 1 7  "C0'" PXF 6  N  THR 7  sing 1 ? ? ? 
PRD_000006 1 8  C     THR 7  N  DVA 8  sing 1 ? ? ? 
PRD_000006 1 9  OG1   THR 7  C  MVA 11 sing 1 ? ? ? 
PRD_000006 1 10 C     DVA 8  N  PRO 9  sing 1 ? ? ? 
PRD_000006 1 11 C     PRO 9  N  SAR 10 sing 1 ? ? ? 
PRD_000006 1 12 C     SAR 10 N  MVA 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000006 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000006 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000006 1 1  THR THR N Y 
PRD_000006 1 2  DVA VAL N Y 
PRD_000006 1 3  PRO PRO N Y 
PRD_000006 1 4  SAR GLY N Y 
PRD_000006 1 5  MVA VAL N Y 
PRD_000006 1 6  PXF ?   N Y 
PRD_000006 1 7  THR THR N Y 
PRD_000006 1 8  DVA VAL N Y 
PRD_000006 1 9  PRO PRO N Y 
PRD_000006 1 10 SAR GLY N Y 
PRD_000006 1 11 MVA VAL N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000006 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 ? 
_pdbx_reference_entity_src_nat.organism_scientific   Semi-synthetic 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000006 2012-02-01 RCSB "Create molecule"    
PRD_000006 2012-07-09 PDBE "Other modification" 
PRD_000006 2012-12-12 RCSB "Initial release"    
PRD_000006 2013-06-03 RCSB "Other modification" 
PRD_000006 2017-05-04 RCSB "Other modification" 
PRD_000006 2023-09-20 PDBE "Modify audit"       
PRD_000006 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000007
# 
_pdbx_reference_molecule.prd_id                       PRD_000007 
_pdbx_reference_molecule.name                         "Actinomycin X2" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C62 H84 N12 O17" 
_pdbx_reference_molecule.formula_weight               1269.401 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;ACTINOMYCIN X2 IS A BICYCLIC PEPTIDE, A MEMBER OF THE
ACTINOMYCIN FAMILY.
HERE, ACTINOMYCIN X2 IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;ACTINOMYCIN X2 CONSISTS OF TWO PENTAMER
RINGS LINKED BY THE CHROMOPHORE (PXZ)
;
_pdbx_reference_molecule.representative_PDB_id_code   1qfi 
# 
_pdbx_reference_entity_list.prd_id          PRD_000007 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 11" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000007 1 1  C     THR 1  N  DVA 2  sing 1 ? ? ? 
PRD_000007 1 2  OG1   THR 1  C  MVA 5  sing 1 ? ? ? 
PRD_000007 1 3  N     THR 1  C0 PXZ 6  sing 1 ? ? ? 
PRD_000007 1 4  C     DVA 2  N  DPL 3  sing 1 ? ? ? 
PRD_000007 1 5  C     DPL 3  N  SAR 4  sing 1 ? ? ? 
PRD_000007 1 6  C     SAR 4  N  MVA 5  sing 1 ? ? ? 
PRD_000007 1 7  "C0'" PXZ 6  N  THR 7  sing 1 ? ? ? 
PRD_000007 1 8  C     THR 7  N  DVA 8  sing 1 ? ? ? 
PRD_000007 1 9  OG1   THR 7  C  MVA 11 sing 1 ? ? ? 
PRD_000007 1 10 C     DVA 8  N  PRO 9  sing 1 ? ? ? 
PRD_000007 1 11 C     PRO 9  N  SAR 10 sing 1 ? ? ? 
PRD_000007 1 12 C     SAR 10 N  MVA 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000007 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00232 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000007 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000007 1 1  THR THR N Y 
PRD_000007 1 2  DVA VAL N Y 
PRD_000007 1 3  DPL PRO N Y 
PRD_000007 1 4  SAR GLY N Y 
PRD_000007 1 5  MVA VAL N Y 
PRD_000007 1 6  PXZ ?   N Y 
PRD_000007 1 7  THR THR N Y 
PRD_000007 1 8  DVA VAL N Y 
PRD_000007 1 9  PRO PRO N Y 
PRD_000007 1 10 SAR GLY N Y 
PRD_000007 1 11 MVA VAL N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000007 1 1 1931 "Streptomyces sp."          URL ALX-380-080-M001 ?      ? 
PRD_000007 1 2 1890 "Streptomyces antibioticus" ?   NOR00232         Norine ? 
PRD_000007 1 3 1931 "Streptomyces sp."          ?   NOR00232         Norine ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000007 2012-02-08 RCSB "Create molecule"    
PRD_000007 2012-07-09 PDBE "Other modification" 
PRD_000007 2012-12-12 RCSB "Initial release"    
PRD_000007 2013-06-03 RCSB "Other modification" 
PRD_000007 2017-05-04 RCSB "Other modification" 
PRD_000007 2023-09-20 PDBE "Modify audit"       
PRD_000007 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000009
# 
_pdbx_reference_molecule.prd_id                       PRD_000009 
_pdbx_reference_molecule.name                         "Actinomycin Z3" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C62 H83 Cl N12 O18" 
_pdbx_reference_molecule.formula_weight               1319.845 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;ACTINOMYCIN Z3 IS A BICYCLIC PEPTIDE, A MEMBER OF THE
ACTINOMYCIN FAMILY.
HERE, ACTINOMYCIN D IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;ACTINOMYCIN Z3 CONSISTS OF TWO PENTAMER
RINGS LINKED BY THE CHROMOPHORE (PXZ)
;
_pdbx_reference_molecule.representative_PDB_id_code   1a7z 
# 
_pdbx_reference_entity_list.prd_id          PRD_000009 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 11" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000009 1 1  N     CTH 1  C0 PXZ 6  sing 1 ? ? ? 
PRD_000009 1 2  C     CTH 1  N  DVA 2  sing 1 ? ? ? 
PRD_000009 1 3  OG1   CTH 1  C  MAA 5  sing 1 ? ? ? 
PRD_000009 1 4  C     DVA 2  N  POM 3  sing 1 ? ? ? 
PRD_000009 1 5  C     POM 3  N  SAR 4  sing 1 ? ? ? 
PRD_000009 1 6  C     SAR 4  N  MAA 5  sing 1 ? ? ? 
PRD_000009 1 7  "C0'" PXZ 6  N  THR 7  sing 1 ? ? ? 
PRD_000009 1 8  C     THR 7  N  DVA 8  sing 1 ? ? ? 
PRD_000009 1 9  OG1   THR 7  C  MVA 11 sing 1 ? ? ? 
PRD_000009 1 10 C     DVA 8  N  H5M 9  sing 1 ? ? ? 
PRD_000009 1 11 C     H5M 9  N  SAR 10 sing 1 ? ? ? 
PRD_000009 1 12 C     SAR 10 N  MVA 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000009 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00237 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000009 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000009 1 1  CTH THR N Y 
PRD_000009 1 2  DVA VAL N Y 
PRD_000009 1 3  POM PRO N Y 
PRD_000009 1 4  SAR GLY N Y 
PRD_000009 1 5  MAA VAL N Y 
PRD_000009 1 6  PXZ ?   N Y 
PRD_000009 1 7  THR THR N Y 
PRD_000009 1 8  DVA VAL N Y 
PRD_000009 1 9  H5M PRO N Y 
PRD_000009 1 10 SAR GLY N Y 
PRD_000009 1 11 MVA VAL N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000009 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1931 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces sp." 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00237 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000009 2012-02-01 RCSB "Create molecule"    
PRD_000009 2012-07-09 PDBE "Other modification" 
PRD_000009 2012-12-12 RCSB "Initial release"    
PRD_000009 2013-06-03 RCSB "Other modification" 
PRD_000009 2017-05-04 RCSB "Other modification" 
PRD_000009 2023-09-20 PDBE "Modify audit"       
PRD_000009 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000010
# 
_pdbx_reference_molecule.prd_id                       PRD_000010 
_pdbx_reference_molecule.name                         7-AminoActinomycin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C62 H87 N13 O16" 
_pdbx_reference_molecule.formula_weight               1270.43 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;ACTINOMYCIN D IS A BICYCLIC PEPTIDE, A MEMBER OF THE
ACTINOMYCIN FAMILY.
HERE, ACTINOMYCIN D IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;ACTINOMYCIN D CONSISTS OF TWO PENTAMER
RINGS LINKED BY THE CHROMOPHORE (PX1)
THE CHROMOPHORE PX1 IS A MODIFIED PXZ
WITH C-NH2 REPLACING C-H IN POSITION 7 OF THE
PHENOXAZONE RING.
;
_pdbx_reference_molecule.representative_PDB_id_code   1unm 
# 
_pdbx_reference_entity_list.prd_id          PRD_000010 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 11" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000010 1 1  C     THR 1  N  DVA 2  sing 1 ? ? ? 
PRD_000010 1 2  N     THR 1  C0 PX1 6  sing 1 ? ? ? 
PRD_000010 1 3  OG1   THR 1  C  MVA 5  sing 1 ? ? ? 
PRD_000010 1 4  C     DVA 2  N  PRO 3  sing 1 ? ? ? 
PRD_000010 1 5  C     PRO 3  N  SAR 4  sing 1 ? ? ? 
PRD_000010 1 6  C     SAR 4  N  MVA 5  sing 1 ? ? ? 
PRD_000010 1 7  "C0'" PX1 6  N  THR 7  sing 1 ? ? ? 
PRD_000010 1 8  OG1   THR 7  C  MVA 11 sing 1 ? ? ? 
PRD_000010 1 9  C     THR 7  N  DVA 8  sing 1 ? ? ? 
PRD_000010 1 10 C     DVA 8  N  PRO 9  sing 1 ? ? ? 
PRD_000010 1 11 C     PRO 9  N  SAR 10 sing 1 ? ? ? 
PRD_000010 1 12 C     SAR 10 N  MVA 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000010 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000010 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000010 1 1  THR THR N Y 
PRD_000010 1 2  DVA VAL N Y 
PRD_000010 1 3  PRO PRO N Y 
PRD_000010 1 4  SAR GLY N Y 
PRD_000010 1 5  MVA VAL N Y 
PRD_000010 1 6  PX1 ?   N Y 
PRD_000010 1 7  THR THR N Y 
PRD_000010 1 8  DVA VAL N Y 
PRD_000010 1 9  PRO PRO N Y 
PRD_000010 1 10 SAR GLY N Y 
PRD_000010 1 11 MVA VAL N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000010 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 ? 
_pdbx_reference_entity_src_nat.organism_scientific   Semi-synthetic 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000010 2012-02-03 RCSB "Create molecule"    
PRD_000010 2012-07-09 PDBE "Other modification" 
PRD_000010 2012-12-12 RCSB "Initial release"    
PRD_000010 2013-06-03 RCSB "Other modification" 
PRD_000010 2017-05-04 RCSB "Other modification" 
PRD_000010 2023-09-20 PDBE "Modify audit"       
PRD_000010 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000011
# 
_pdbx_reference_molecule.prd_id                       PRD_000011 
_pdbx_reference_molecule.name                         "N8-Actinomycin D" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C61 H85 N13 O16" 
_pdbx_reference_molecule.formula_weight               1256.4051 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;ACTINOMYCIN D IS A BICYCLIC PEPTIDE, A MEMBER OF THE
ACTINOMYCIN FAMILY.
HERE, ACTINOMYCIN D IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;ACTINOMYCIN D CONSISTS OF TWO PENTAMER
RINGS LINKED BY THE CHROMOPHORE (PXA)
THE CHROMOPHORE PXA IS A MODIFIED PXZ WITH
N REPLACING C-H IN POSITION 8 OF THE
PHENOXAZONE RING.
;
_pdbx_reference_molecule.representative_PDB_id_code   209d 
# 
_pdbx_reference_entity_list.prd_id          PRD_000011 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 11" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000011 1 1  C     THR 1  N  DVA 2  sing 1 ? ? ? 
PRD_000011 1 2  OG1   THR 1  C  MVA 5  sing 1 ? ? ? 
PRD_000011 1 3  N     THR 1  C0 PXA 6  sing 1 ? ? ? 
PRD_000011 1 4  C     DVA 2  N  PRO 3  sing 1 ? ? ? 
PRD_000011 1 5  C     PRO 3  N  SAR 4  sing 1 ? ? ? 
PRD_000011 1 6  C     SAR 4  N  MVA 5  sing 1 ? ? ? 
PRD_000011 1 7  "C0'" PXA 6  N  THR 7  sing 1 ? ? ? 
PRD_000011 1 8  C     THR 7  N  DVA 8  sing 1 ? ? ? 
PRD_000011 1 9  OG1   THR 7  C  MVA 11 sing 1 ? ? ? 
PRD_000011 1 10 C     DVA 8  N  PRO 9  sing 1 ? ? ? 
PRD_000011 1 11 C     PRO 9  N  SAR 10 sing 1 ? ? ? 
PRD_000011 1 12 C     SAR 10 N  MVA 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000011 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000011 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000011 1 1  THR THR N Y 
PRD_000011 1 2  DVA VAL N Y 
PRD_000011 1 3  PRO PRO N Y 
PRD_000011 1 4  SAR GLY N Y 
PRD_000011 1 5  MVA VAL N Y 
PRD_000011 1 6  PXA ?   N Y 
PRD_000011 1 7  THR THR N Y 
PRD_000011 1 8  DVA VAL N Y 
PRD_000011 1 9  PRO PRO N Y 
PRD_000011 1 10 SAR GLY N Y 
PRD_000011 1 11 MVA VAL N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000011 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 ? 
_pdbx_reference_entity_src_nat.organism_scientific   Semi-synthetic 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000011 2012-02-01 RCSB "Create molecule"    
PRD_000011 2012-07-09 PDBE "Other modification" 
PRD_000011 2012-12-12 RCSB "Initial release"    
PRD_000011 2013-06-03 RCSB "Other modification" 
PRD_000011 2017-05-04 RCSB "Other modification" 
PRD_000011 2023-09-20 PDBE "Modify audit"       
PRD_000011 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000020
# 
_pdbx_reference_molecule.prd_id                       PRD_000020 
_pdbx_reference_molecule.name                         D-Phe-Pro-Arg-CH2Cl 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H34 Cl N6 O3" 
_pdbx_reference_molecule.formula_weight               453.986 
_pdbx_reference_molecule.chem_comp_id                 0G6 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1shh 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000020 
_pdbx_reference_entity_subcomponents.seq            "DPN PRO AR7 0QE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0G6 
# 
_pdbx_reference_entity_list.prd_id          PRD_000020 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000020 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000020 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000020 1 1 DPN .   N Y 
PRD_000020 1 2 PRO PRO N Y 
PRD_000020 1 3 AR7 ARG N Y 
PRD_000020 1 4 0QE .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000020 1 1 1 C DPN 1 N  PRO 2 SING ? ? ? 
PRD_000020 1 1 2 C PRO 2 N  AR7 3 SING ? ? ? 
PRD_000020 1 1 3 C AR7 3 C1 0QE 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000020 2012-02-08 RCSB "Create molecule"    
PRD_000020 2012-05-01 RCSB "Other modification" 
PRD_000020 2012-07-09 PDBE "Other modification" 
PRD_000020 2012-12-12 RCSB "Initial release"    
PRD_000020 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000021
# 
_pdbx_reference_molecule.prd_id                       PRD_000021 
_pdbx_reference_molecule.name                         "D-Phe-Pro-Arg chloromethylketone (PPACK)" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H31 Cl N6 O3" 
_pdbx_reference_molecule.formula_weight               450.962 
_pdbx_reference_molecule.chem_comp_id                 0G7 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2fir 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000021 
_pdbx_reference_entity_subcomponents.seq            "DPN PRO ARG 0QE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0G7 
# 
_pdbx_reference_entity_list.prd_id          PRD_000021 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000021 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000021 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000021 1 1 DPN .   N Y 
PRD_000021 1 2 PRO PRO N Y 
PRD_000021 1 3 ARG ARG N Y 
PRD_000021 1 4 0QE .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000021 1 1 1 C DPN 1 N  PRO 2 SING ? ? ? 
PRD_000021 1 1 2 C PRO 2 N  ARG 3 SING ? ? ? 
PRD_000021 1 1 3 C ARG 3 C1 0QE 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000021 2012-02-08 RCSB "Create molecule"    
PRD_000021 2012-05-01 RCSB "Other modification" 
PRD_000021 2012-07-09 PDBE "Other modification" 
PRD_000021 2012-12-12 RCSB "Initial release"    
PRD_000021 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000041
# 
_pdbx_reference_molecule.prd_id                       PRD_000041 
_pdbx_reference_molecule.name                         
; (2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3R,4R,5S)-4-(2-(3-AMINOPROPYLAMINO)ETHOXY)-5-((1R,2R,3S,5R,6S)-
 3,5-DIAMINO-2-((2S,3R,4R,5S,6R)-3-AMINO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-
 HYDROXYCYCLOHEXYLOXY)-2-(HYDROXYMETHYL)-TETRAHYDROFURAN-3-YLOXY)-TETRAHYDRO-2H-PYRAN-3,4-DIOL
;
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Aminoglycoside 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Antimicrobial, Antiparasitic, Antibiotic" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H57 N7 O14" 
_pdbx_reference_molecule.formula_weight               715.791 
_pdbx_reference_molecule.chem_comp_id                 JS4 
_pdbx_reference_molecule.release_status               OBS 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2bee 
# 
_pdbx_reference_entity_list.prd_id          PRD_000041 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            non-polymer 
_pdbx_reference_entity_list.details         "PAROMOMYCIN DERIVATIVE JS4" 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000041 
_pdbx_reference_entity_nonpoly.ref_entity_id   1 
_pdbx_reference_entity_nonpoly.name            "PAROMOMYCIN DERIVATIVE JS4" 
_pdbx_reference_entity_nonpoly.chem_comp_id    JS4 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000041 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 92743 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces rimosus subsp. paromomycinus" 
_pdbx_reference_entity_src_nat.source                Merck 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000041 2012-02-08 RCSB "Create molecule"    
PRD_000041 2012-07-09 PDBE "Other modification" 
PRD_000041 2013-05-01 RCSB "Modify audit"       
PRD_000041 2017-07-12 RCSB "Initial release"    
PRD_000041 2022-03-02 RCSB "Obsolete molecule"  
# 
data_PRD_000042
# 
_pdbx_reference_molecule.prd_id                       PRD_000042 
_pdbx_reference_molecule.name                         
; (2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3R,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R,4R,5S,6R)-3-
  AMINO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-2-(HYDROXYMETHYL)-4-
  (2-((R)-PIPERIDIN-3-YLMETHYLAMINO)ETHOXY)-TETRAHYDROFURAN-3-YLOXY)-TETRAHYDRO-2H-PYRAN-3,4-DIOL
;
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Aminoglycoside 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Antimicrobial, Antiparasitic, Antibiotic" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H61 N7 O14" 
_pdbx_reference_molecule.formula_weight               755.855 
_pdbx_reference_molecule.chem_comp_id                 JS5 
_pdbx_reference_molecule.release_status               OBS 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2be0 
# 
_pdbx_reference_entity_list.prd_id          PRD_000042 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            non-polymer 
_pdbx_reference_entity_list.details         "PAROMOMYCIN DERIVATIVE JS5-39" 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000042 
_pdbx_reference_entity_nonpoly.ref_entity_id   1 
_pdbx_reference_entity_nonpoly.name            "PAROMOMYCIN DERIVATIVE JS5-39" 
_pdbx_reference_entity_nonpoly.chem_comp_id    JS5 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000042 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 92743 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces rimosus subsp. paromomycinus" 
_pdbx_reference_entity_src_nat.source                Merck 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000042 2012-02-08 RCSB "Create molecule"    
PRD_000042 2012-07-09 PDBE "Other modification" 
PRD_000042 2013-05-01 RCSB "Modify audit"       
PRD_000042 2017-07-12 RCSB "Initial release"    
PRD_000042 2022-03-02 RCSB "Obsolete molecule"  
# 
data_PRD_000043
# 
_pdbx_reference_molecule.prd_id                       PRD_000043 
_pdbx_reference_molecule.name                         "DOUBLY FUNCTIONALIZED PAROMOMYCIN PM-II-162" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Aminoglycoside 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Antimicrobial, Antiparasitic, Antibiotic" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C37 H65 N7 O16" 
_pdbx_reference_molecule.formula_weight               863.949 
_pdbx_reference_molecule.chem_comp_id                 LHA 
_pdbx_reference_molecule.release_status               OBS 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2pwt 
# 
_pdbx_reference_entity_list.prd_id          PRD_000043 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            non-polymer 
_pdbx_reference_entity_list.details         "AMINOGLYCOSIDE CONTAINING THE L-HABA GROUP" 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000043 
_pdbx_reference_entity_nonpoly.ref_entity_id   1 
_pdbx_reference_entity_nonpoly.name            "AMINOGLYCOSIDE CONTAINING THE L-HABA GROUP" 
_pdbx_reference_entity_nonpoly.chem_comp_id    LHA 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000043 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 92743 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces rimosus subsp. paromomycinus" 
_pdbx_reference_entity_src_nat.source                Merck 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000043 2012-02-08 RCSB "Create molecule"    
PRD_000043 2012-07-09 PDBE "Other modification" 
PRD_000043 2013-05-01 RCSB "Modify audit"       
PRD_000043 2017-07-12 RCSB "Initial release"    
PRD_000043 2022-03-02 RCSB "Obsolete molecule"  
# 
data_PRD_000102
# 
_pdbx_reference_molecule.prd_id                       PRD_000102 
_pdbx_reference_molecule.name                         "CYCLIC HEXAPEPTIDE RR(NAL)(NAL)RF" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antimicrobial 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C53 H70 N15 O6" 
_pdbx_reference_molecule.formula_weight               1013.220 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1skl 
# 
_pdbx_reference_entity_list.prd_id          PRD_000102 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "ANTIMICROBIAL HEXAPEPTIDE CYC-(RRNALNALRF)" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000102 1 1 N ARG 1 C PHE 6 sing 1 ? ? ? 
PRD_000102 1 2 C ARG 1 N ARG 2 sing 1 ? ? ? 
PRD_000102 1 3 C ARG 2 N NAL 3 sing 1 ? ? ? 
PRD_000102 1 4 C NAL 3 N NAL 4 sing 1 ? ? ? 
PRD_000102 1 5 C NAL 4 N ARG 5 sing 1 ? ? ? 
PRD_000102 1 6 C ARG 5 N PHE 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000102 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000102 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000102 1 1 ARG ARG N Y 
PRD_000102 1 2 ARG ARG N Y 
PRD_000102 1 3 NAL ALA N Y 
PRD_000102 1 4 NAL ALA N Y 
PRD_000102 1 5 ARG ARG N Y 
PRD_000102 1 6 PHE PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000102 2012-02-03 RCSB "Create molecule"    
PRD_000102 2012-07-09 PDBE "Other modification" 
PRD_000102 2012-12-12 RCSB "Initial release"    
PRD_000102 2013-06-03 RCSB "Other modification" 
PRD_000102 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000103
# 
_pdbx_reference_molecule.prd_id                       PRD_000103 
_pdbx_reference_molecule.name                         "CYCLIC HEXAPEPTIDE KKWWKF" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antimicrobial 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C49 H68 N11 O6" 
_pdbx_reference_molecule.formula_weight               907.134 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1skk 
# 
_pdbx_reference_entity_list.prd_id          PRD_000103 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "ANTIMICROBIAL HEXAPEPTIDE CYC-(KKWWKF)" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000103 1 1 N LYS 1 C PHE 6 sing 1 ? ? ? 
PRD_000103 1 2 C LYS 1 N LYS 2 sing 1 ? ? ? 
PRD_000103 1 3 C LYS 2 N TRP 3 sing 1 ? ? ? 
PRD_000103 1 4 C TRP 3 N TRP 4 sing 1 ? ? ? 
PRD_000103 1 5 C TRP 4 N LYS 5 sing 1 ? ? ? 
PRD_000103 1 6 C LYS 5 N PHE 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000103 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000103 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000103 1 1 LYS LYS N Y 
PRD_000103 1 2 LYS LYS N Y 
PRD_000103 1 3 TRP TRP N Y 
PRD_000103 1 4 TRP TRP N Y 
PRD_000103 1 5 LYS LYS N Y 
PRD_000103 1 6 PHE PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000103 2012-02-03 RCSB "Create molecule"    
PRD_000103 2012-07-09 PDBE "Other modification" 
PRD_000103 2012-12-12 RCSB "Initial release"    
PRD_000103 2013-06-03 RCSB "Other modification" 
PRD_000103 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000104
# 
_pdbx_reference_molecule.prd_id                       PRD_000104 
_pdbx_reference_molecule.name                         "CYCLIC HEXAPEPTIDE RRYYRF" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antimicrobial 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C45 H66 N15 O8" 
_pdbx_reference_molecule.formula_weight               945.101 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1ski 
# 
_pdbx_reference_entity_list.prd_id          PRD_000104 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "ANTIMICROBIAL HEXAPEPTIDE CYC-(RRYYRF)" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000104 1 1 N ARG 1 C PHE 6 sing 1 ? ? ? 
PRD_000104 1 2 C ARG 1 N ARG 2 sing 1 ? ? ? 
PRD_000104 1 3 C ARG 2 N TYR 3 sing 1 ? ? ? 
PRD_000104 1 4 C TYR 3 N TYR 4 sing 1 ? ? ? 
PRD_000104 1 5 C TYR 4 N ARG 5 sing 1 ? ? ? 
PRD_000104 1 6 C ARG 5 N PHE 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000104 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000104 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000104 1 1 ARG ARG N Y 
PRD_000104 1 2 ARG ARG N Y 
PRD_000104 1 3 TYR TYR N Y 
PRD_000104 1 4 TYR TYR N Y 
PRD_000104 1 5 ARG ARG N Y 
PRD_000104 1 6 PHE PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000104 2012-02-03 RCSB "Create molecule"    
PRD_000104 2012-07-09 PDBE "Other modification" 
PRD_000104 2012-12-12 RCSB "Initial release"    
PRD_000104 2013-06-03 RCSB "Other modification" 
PRD_000104 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000105
# 
_pdbx_reference_molecule.prd_id                       PRD_000105 
_pdbx_reference_molecule.name                         "CYCLIC HEXAPEPTIDE CYC-(RRWWRF)" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antimicrobial 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C49 H68 N17 O6" 
_pdbx_reference_molecule.formula_weight               991.17450 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1qvl 
# 
_pdbx_reference_entity_list.prd_id          PRD_000105 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "ANTIMICROBIAL HEXAPEPTIDE CYC-(RRWWRF)" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000105 1 1 N ARG 1 C PHE 6 sing 1 ? ? ? 
PRD_000105 1 2 C ARG 1 N ARG 2 sing 1 ? ? ? 
PRD_000105 1 3 C ARG 2 N TRP 3 sing 1 ? ? ? 
PRD_000105 1 4 C TRP 3 N TRP 4 sing 1 ? ? ? 
PRD_000105 1 5 C TRP 4 N ARG 5 sing 1 ? ? ? 
PRD_000105 1 6 C ARG 5 N PHE 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000105 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000105 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000105 1 1 ARG ARG N Y 
PRD_000105 1 2 ARG ARG N Y 
PRD_000105 1 3 TRP TRP N Y 
PRD_000105 1 4 TRP TRP N Y 
PRD_000105 1 5 ARG ARG N Y 
PRD_000105 1 6 PHE PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000105 2012-02-01 RCSB "Create molecule"    
PRD_000105 2012-07-09 PDBE "Other modification" 
PRD_000105 2012-12-12 RCSB "Initial release"    
PRD_000105 2013-06-03 RCSB "Other modification" 
PRD_000105 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000106
# 
_pdbx_reference_molecule.prd_id                       PRD_000106 
_pdbx_reference_molecule.name                         "BOC-(D-NLE-L-NLE)4-D-NLE(METHYL)-L-NLE-D-NLE-L-NLE METHYL ESTER" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C79 H146 N12 O15" 
_pdbx_reference_molecule.formula_weight               1504.076 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1R9V 
# 
_pdbx_reference_entity_list.prd_id          PRD_000106 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "BOC-(D-NLE-L-NLE)4-D-NLE(METHYL)-L-NLE-D-NLE-L-NLE METHYL ESTER" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000106 1 1  C BOC 1  N DNE 2  sing 1 ? ? ? 
PRD_000106 1 2  C DNE 2  N NLE 3  sing 1 ? ? ? 
PRD_000106 1 3  C NLE 3  N DNE 4  sing 1 ? ? ? 
PRD_000106 1 4  C DNE 4  N NLE 5  sing 1 ? ? ? 
PRD_000106 1 5  C NLE 5  N DNE 6  sing 1 ? ? ? 
PRD_000106 1 6  C DNE 6  N NLE 7  sing 1 ? ? ? 
PRD_000106 1 7  C NLE 7  N DNE 8  sing 1 ? ? ? 
PRD_000106 1 8  C DNE 8  N NLE 9  sing 1 ? ? ? 
PRD_000106 1 9  C NLE 9  N DNM 10 sing 1 ? ? ? 
PRD_000106 1 10 C DNM 10 N NLE 11 sing 1 ? ? ? 
PRD_000106 1 11 C NLE 11 N DNE 12 sing 1 ? ? ? 
PRD_000106 1 12 C DNE 12 N NLO 13 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000106 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000106 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000106 1 1  BOC ? N N 
PRD_000106 1 2  DNE ? N Y 
PRD_000106 1 3  NLE ? N Y 
PRD_000106 1 4  DNE ? N Y 
PRD_000106 1 5  NLE ? N Y 
PRD_000106 1 6  DNE ? N Y 
PRD_000106 1 7  NLE ? N Y 
PRD_000106 1 8  DNE ? N Y 
PRD_000106 1 9  NLE ? N Y 
PRD_000106 1 10 DNM ? N Y 
PRD_000106 1 11 NLE ? N Y 
PRD_000106 1 12 DNE ? N Y 
PRD_000106 1 13 NLO ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000106 2012-02-03 RCSB "Create molecule"    
PRD_000106 2012-07-09 PDBE "Other modification" 
PRD_000106 2012-09-27 RCSB "Other modification" 
PRD_000106 2012-12-12 RCSB "Initial release"    
PRD_000106 2013-06-03 RCSB "Other modification" 
PRD_000106 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000107
# 
_pdbx_reference_molecule.prd_id                       PRD_000107 
_pdbx_reference_molecule.name                         "H-(L-TYR-D-TYR)4-LYS-OH" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C78 H87 N10 O18" 
_pdbx_reference_molecule.formula_weight               1452.582 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1uno 
# 
_pdbx_reference_entity_list.prd_id          PRD_000107 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "H-(L-TYR-D-TYR)4-LYS-OH" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000107 1 1 C TYR 1 N DTY 2 sing 1 ? ? ? 
PRD_000107 1 2 C DTY 2 N TYR 3 sing 1 ? ? ? 
PRD_000107 1 3 C TYR 3 N DTY 4 sing 1 ? ? ? 
PRD_000107 1 4 C DTY 4 N TYR 5 sing 1 ? ? ? 
PRD_000107 1 5 C TYR 5 N DTY 6 sing 1 ? ? ? 
PRD_000107 1 6 C DTY 6 N TYR 7 sing 1 ? ? ? 
PRD_000107 1 7 C TYR 7 N DTY 8 sing 1 ? ? ? 
PRD_000107 1 8 C DTY 8 N LYS 9 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000107 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000107 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000107 1 1 TYR TYR N Y 
PRD_000107 1 2 DTY TYR N Y 
PRD_000107 1 3 TYR TYR N Y 
PRD_000107 1 4 DTY TYR N Y 
PRD_000107 1 5 TYR TYR N Y 
PRD_000107 1 6 DTY TYR N Y 
PRD_000107 1 7 TYR TYR N Y 
PRD_000107 1 8 DTY TYR N Y 
PRD_000107 1 9 LYS LYS N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000107 2012-02-03 RCSB "Create molecule"    
PRD_000107 2012-07-09 PDBE "Other modification" 
PRD_000107 2012-12-12 RCSB "Initial release"    
PRD_000107 2013-06-03 RCSB "Other modification" 
PRD_000107 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000108
# 
_pdbx_reference_molecule.prd_id                       PRD_000108 
_pdbx_reference_molecule.name                         "HCO-(D-NLE-L-NLE)3-D-MENLE-L-NLE-D-NLE-L-NLE-OME" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C63 H116 N10 O12" 
_pdbx_reference_molecule.formula_weight               1205.655 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1s4a 
# 
_pdbx_reference_entity_list.prd_id          PRD_000108 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "HCO-(D-NLE-L-NLE)3-D-MENLE-L-NLE-D-NLE-L-NLE-OME" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000108 1 1 C DNG 1 N NLE 2  sing 1 ? ? ? 
PRD_000108 1 2 C NLE 2 N DNE 3  sing 1 ? ? ? 
PRD_000108 1 3 C DNE 3 N NLE 4  sing 1 ? ? ? 
PRD_000108 1 4 C NLE 4 N DNE 5  sing 1 ? ? ? 
PRD_000108 1 5 C DNE 5 N NLE 6  sing 1 ? ? ? 
PRD_000108 1 6 C NLE 6 N DNM 7  sing 1 ? ? ? 
PRD_000108 1 7 C DNM 7 N NLE 8  sing 1 ? ? ? 
PRD_000108 1 8 C NLE 8 N DNE 9  sing 1 ? ? ? 
PRD_000108 1 9 C DNE 9 N NLO 10 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000108 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000108 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000108 1 1  DNG LEU N Y 
PRD_000108 1 2  NLE LEU N Y 
PRD_000108 1 3  DNE LEU N Y 
PRD_000108 1 4  NLE LEU N Y 
PRD_000108 1 5  DNE LEU N Y 
PRD_000108 1 6  NLE LEU N Y 
PRD_000108 1 7  DNM LEU N Y 
PRD_000108 1 8  NLE LEU N Y 
PRD_000108 1 9  DNE LEU N Y 
PRD_000108 1 10 NLO LEU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000108 2012-02-03 RCSB "Create molecule"    
PRD_000108 2012-07-09 PDBE "Other modification" 
PRD_000108 2012-12-12 RCSB "Initial release"    
PRD_000108 2013-06-03 RCSB "Other modification" 
PRD_000108 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000109
# 
_pdbx_reference_molecule.prd_id                       PRD_000109 
_pdbx_reference_molecule.name                         "BOC-L-NLE-(D-NLE-L-NLE)5-D-NLE(METHYL)-L-NLE-D-NLE-L-NLE METHYL ESTER" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C97 H179 N15 O18" 
_pdbx_reference_molecule.formula_weight               1843.549 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1S1O 
# 
_pdbx_reference_entity_list.prd_id          PRD_000109 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "BOC-L-NLE-(D-NLE-L-NLE)5-D-NLE(METHYL)-L-NLE-D-NLE-L-NLE METHYL ESTER" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000109 1 1  C BOC 1  N NLE 2  sing 1 ? ? ? 
PRD_000109 1 2  C NLE 2  N DNE 3  sing 1 ? ? ? 
PRD_000109 1 3  C DNE 3  N NLE 4  sing 1 ? ? ? 
PRD_000109 1 4  C NLE 4  N DNE 5  sing 1 ? ? ? 
PRD_000109 1 5  C DNE 5  N NLE 6  sing 1 ? ? ? 
PRD_000109 1 6  C NLE 6  N DNE 7  sing 1 ? ? ? 
PRD_000109 1 7  C DNE 7  N NLE 8  sing 1 ? ? ? 
PRD_000109 1 8  C NLE 8  N DNE 9  sing 1 ? ? ? 
PRD_000109 1 9  C DNE 9  N NLE 10 sing 1 ? ? ? 
PRD_000109 1 10 C NLE 10 N DNE 11 sing 1 ? ? ? 
PRD_000109 1 11 C DNE 11 N NLE 12 sing 1 ? ? ? 
PRD_000109 1 12 C NLE 12 N DNM 13 sing 1 ? ? ? 
PRD_000109 1 13 C DNM 13 N NLE 14 sing 1 ? ? ? 
PRD_000109 1 14 C NLE 14 N DNE 15 sing 1 ? ? ? 
PRD_000109 1 15 C DNE 15 N NLO 16 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000109 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000109 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000109 1 1  BOC ? N Y 
PRD_000109 1 2  NLE ? N Y 
PRD_000109 1 3  DNE ? N Y 
PRD_000109 1 4  NLE ? N Y 
PRD_000109 1 5  DNE ? N Y 
PRD_000109 1 6  NLE ? N Y 
PRD_000109 1 7  DNE ? N Y 
PRD_000109 1 8  NLE ? N Y 
PRD_000109 1 9  DNE ? N Y 
PRD_000109 1 10 NLE ? N Y 
PRD_000109 1 11 DNE ? N Y 
PRD_000109 1 12 NLE ? N Y 
PRD_000109 1 13 DNM ? N Y 
PRD_000109 1 14 NLE ? N Y 
PRD_000109 1 15 DNE ? N Y 
PRD_000109 1 16 NLO ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000109 2012-02-03 RCSB "Create molecule"    
PRD_000109 2012-07-09 PDBE "Other modification" 
PRD_000109 2012-09-07 RCSB "Other modification" 
PRD_000109 2012-12-12 RCSB "Initial release"    
PRD_000109 2013-06-03 RCSB "Other modification" 
PRD_000109 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000110
# 
_pdbx_reference_molecule.prd_id                       PRD_000110 
_pdbx_reference_molecule.name                         DLY-HGL-AGD-LHC-AGD-LHC-CUD-LYS 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C60 H81 N34 O15" 
_pdbx_reference_molecule.formula_weight               1518.504 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3c1p 
# 
_pdbx_reference_entity_list.prd_id          PRD_000110 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE NUCLEIC ACID DLY-HGL-AGD-LHC-AGD-LHC-CUD-LYS" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000110 1 1 C DLY 1 N HGL 2 sing 1 ? ? ? 
PRD_000110 1 2 C HGL 2 N AGD 3 sing 1 ? ? ? 
PRD_000110 1 3 C AGD 3 N LHC 4 sing 1 ? ? ? 
PRD_000110 1 4 C LHC 4 N AGD 5 sing 1 ? ? ? 
PRD_000110 1 5 C AGD 5 N LHC 6 sing 1 ? ? ? 
PRD_000110 1 6 C LHC 6 N CUD 7 sing 1 ? ? ? 
PRD_000110 1 7 C CUD 7 N LYS 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000110 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000110 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000110 1 1 DLY LYS N Y 
PRD_000110 1 2 HGL ?   N Y 
PRD_000110 1 3 AGD ?   N Y 
PRD_000110 1 4 LHC ?   N Y 
PRD_000110 1 5 AGD ?   N Y 
PRD_000110 1 6 LHC ?   N Y 
PRD_000110 1 7 CUD ?   N Y 
PRD_000110 1 8 LYS LYS N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000110 2012-02-03 RCSB "Create molecule"    
PRD_000110 2012-07-09 PDBE "Other modification" 
PRD_000110 2012-12-12 RCSB "Initial release"    
PRD_000110 2013-06-03 RCSB "Other modification" 
PRD_000110 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000117
# 
_pdbx_reference_molecule.prd_id                       PRD_000117 
_pdbx_reference_molecule.name                         "ARYLOMYCIN A2" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Lipopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C42 H60 N6 O11" 
_pdbx_reference_molecule.formula_weight               824.959 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;ARYLOMYCIN A2 IS A CYCLIC LIPOHEXAPEPTIDE, A MEMBER OF THE ARYLOMYCIN FAMILY. ALL MEMBERS HAVE A FATTY ACID AT THE
N-TERM AND A CORE STRUCTURE OF TRIPEPTIDE MACROCYCLE FORMED BY A C-C BIARYL LINKAGE BETWEEN RESIDUES 4 AND 6. HERE,
ARYLOMYCIN A2 IS REPRESENTED BY GROUPING TOGETHER THE SEQUENCE (SEQRES) AND ONE LIGAND (HET) M12.
;
_pdbx_reference_molecule.description                  
;ARYLOMYCIN A2 IS A BIARYL-BRIDGED LIPOPEPTIDE. THE SCAFFOLD IS MADE OF TWO PARTS: (1) N-TERM EXOCYCLIC TRIPEPTIDE (2)
A TRICYCLIC PEPTIDE, WITH [3,3] BIARYL BOND BETWEEN RESIDUE 4 AND 6 AN ISO-C12 FATTY ACID IS LINKED TO RESIDUE 1.
;
_pdbx_reference_molecule.representative_PDB_id_code   3iiq 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000117 1 1 polymer     "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 6" 
PRD_000117 2 2 non-polymer "10-METHYLUNDECANOIC ACID"              
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000117 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "10-METHYLUNDECANOIC ACID" 
_pdbx_reference_entity_nonpoly.chem_comp_id    M12 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_link.prd_id              PRD_000117 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    1 
_pdbx_reference_entity_link.comp_id_1           DSE 
_pdbx_reference_entity_link.atom_id_1           N 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    ? 
_pdbx_reference_entity_link.comp_id_2           M12 
_pdbx_reference_entity_link.atom_id_2           C1 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             ? 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000117 1 1 C   DSE 1 N   DAL 2 sing 1 ? ? ? 
PRD_000117 1 2 C   DAL 2 N   GLY 3 sing 1 ? ? ? 
PRD_000117 1 3 C   GLY 3 N   5PG 4 sing 1 ? ? ? 
PRD_000117 1 4 CD2 5PG 4 CE2 TYR 6 sing 1 ? ? ? 
PRD_000117 1 5 C   5PG 4 N   ALA 5 sing 1 ? ? ? 
PRD_000117 1 6 C   ALA 5 N   TYR 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000117 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR01115 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000117 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000117 1 1 DSE SER N Y 
PRD_000117 1 2 DAL ALA N Y 
PRD_000117 1 3 GLY GLY N Y 
PRD_000117 1 4 5PG GLY N Y 
PRD_000117 1 5 ALA ALA N Y 
PRD_000117 1 6 TYR TYR N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000117 1 1 1931 "Streptomyces sp. Tu 6075" PubMed ?        ?      ? 
PRD_000117 1 2 1931 "STREPTOMYCES TU"          ?      NOR01115 Norine ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000117 2012-02-08 RCSB "Create molecule"    
PRD_000117 2012-07-09 PDBE "Other modification" 
PRD_000117 2012-07-31 RCSB "Other modification" 
PRD_000117 2012-12-12 RCSB "Initial release"    
PRD_000117 2013-06-03 RCSB "Other modification" 
PRD_000117 2017-05-04 RCSB "Other modification" 
PRD_000117 2020-07-29 RCSB "Other modification" 
PRD_000117 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000142
# 
_pdbx_reference_molecule.prd_id                       PRD_000142 
_pdbx_reference_molecule.name                         "Cyclosporin A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Immunosuppressant 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C62 H111 N11 O12" 
_pdbx_reference_molecule.formula_weight               1202.611 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE.
HERE, CYCLOSPORIN A IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE.
CYCLIZATION IS ACHIEVED BY LINKING THE N- AND
THE C- TERMINI.
;
_pdbx_reference_molecule.representative_PDB_id_code   2wfj 
# 
_pdbx_reference_entity_list.prd_id          PRD_000142 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 11" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000142 1 1  N DAL 1  C ALA 11 sing 1 ? ? ? 
PRD_000142 1 2  C DAL 1  N MLE 2  sing 1 ? ? ? 
PRD_000142 1 3  C MLE 2  N MLE 3  sing 1 ? ? ? 
PRD_000142 1 4  C MLE 3  N MVA 4  sing 1 ? ? ? 
PRD_000142 1 5  C MVA 4  N BMT 5  sing 1 ? ? ? 
PRD_000142 1 6  C BMT 5  N ABA 6  sing 1 ? ? ? 
PRD_000142 1 7  C ABA 6  N SAR 7  sing 1 ? ? ? 
PRD_000142 1 8  C SAR 7  N MLE 8  sing 1 ? ? ? 
PRD_000142 1 9  C MLE 8  N VAL 9  sing 1 ? ? ? 
PRD_000142 1 10 C VAL 9  N MLE 10 sing 1 ? ? ? 
PRD_000142 1 11 C MLE 10 N ALA 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000142 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00033 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000142 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000142 1 1  DAL ALA N Y 
PRD_000142 1 2  MLE LEU N Y 
PRD_000142 1 3  MLE LEU N Y 
PRD_000142 1 4  MVA VAL N Y 
PRD_000142 1 5  BMT THR N Y 
PRD_000142 1 6  ABA THR N Y 
PRD_000142 1 7  SAR GLY N Y 
PRD_000142 1 8  MLE LEU N Y 
PRD_000142 1 9  VAL VAL N Y 
PRD_000142 1 10 MLE LEU N Y 
PRD_000142 1 11 ALA ALA N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000142 1 1 301100 "Cylindrocarpon lucidum" ? C05086   KEGG   ? 
PRD_000142 1 2 29910  "Tolypocladium inflatum" ? C05086   KEGG   ? 
PRD_000142 1 3 29910  "Tolypocladium inflatum" ? NOR00033 NORINE ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000142 2012-02-08 RCSB "Create molecule"    
PRD_000142 2012-07-09 PDBE "Other modification" 
PRD_000142 2012-12-12 RCSB "Initial release"    
PRD_000142 2013-06-03 RCSB "Other modification" 
PRD_000142 2017-05-04 RCSB "Other modification" 
PRD_000142 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000143
# 
_pdbx_reference_molecule.prd_id                       PRD_000143 
_pdbx_reference_molecule.name                         "Cyclosporin D" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Immunosuppressant 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C64 H115 N11 O12 S" 
_pdbx_reference_molecule.formula_weight               1262.729 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE.
HERE, CYCLOSPORIN D  IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE.
CYCLIZATION IS ACHIEVED BY LINKING THE N- AND
THE C- TERMINI.
CYCLOSPORIN D IS A NATURAL ANALOG OF CYCLOSPORIN A,
OBTAINED FROM A DIFFERENT NUTRIENT BROTH AND
DIFFERS FROM CYCLOSPORIN IN RESIDUE 6 (ABA6VAL).
;
_pdbx_reference_molecule.representative_PDB_id_code   1cwj 
# 
_pdbx_reference_entity_list.prd_id          PRD_000143 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 11" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000143 1 1  C DAL 1  N MLE 2  sing 1 ? ? ? 
PRD_000143 1 2  N DAL 1  C ALA 11 sing 1 ? ? ? 
PRD_000143 1 3  C MLE 2  N MLE 3  sing 1 ? ? ? 
PRD_000143 1 4  C MLE 3  N MVA 4  sing 1 ? ? ? 
PRD_000143 1 5  C MVA 4  N BMT 5  sing 1 ? ? ? 
PRD_000143 1 6  C BMT 5  N VAL 6  sing 1 ? ? ? 
PRD_000143 1 7  C VAL 6  N MSA 7  sing 1 ? ? ? 
PRD_000143 1 8  C MSA 7  N MLE 8  sing 1 ? ? ? 
PRD_000143 1 9  C MLE 8  N VAL 9  sing 1 ? ? ? 
PRD_000143 1 10 C VAL 9  N MLE 10 sing 1 ? ? ? 
PRD_000143 1 11 C MLE 10 N ALA 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000143 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00036 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000143 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000143 1 1  DAL ALA N Y 
PRD_000143 1 2  MLE LEU N Y 
PRD_000143 1 3  MLE LEU N Y 
PRD_000143 1 4  MVA VAL N Y 
PRD_000143 1 5  BMT THR N Y 
PRD_000143 1 6  VAL VAL N Y 
PRD_000143 1 7  MSA GLY N Y 
PRD_000143 1 8  MLE LEU N Y 
PRD_000143 1 9  VAL VAL N Y 
PRD_000143 1 10 MLE LEU N Y 
PRD_000143 1 11 ALA ALA N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000143 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 169388 
_pdbx_reference_entity_src_nat.organism_scientific   "Fusarium solani" 
_pdbx_reference_entity_src_nat.source                URL 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000143 2012-02-08 RCSB "Create molecule"    
PRD_000143 2012-07-09 PDBE "Other modification" 
PRD_000143 2012-12-12 RCSB "Initial release"    
PRD_000143 2013-06-03 RCSB "Other modification" 
PRD_000143 2017-05-04 RCSB "Other modification" 
PRD_000143 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000144
# 
_pdbx_reference_molecule.prd_id                       PRD_000144 
_pdbx_reference_molecule.name                         "Cyclosporin C" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Immunosuppressant 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C62 H111 N11 O13" 
_pdbx_reference_molecule.formula_weight               1218.611 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE.
HERE, CYCLOSPORIN C IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;CYCLOSPORIN C IS A CYCLIC UNDECAPEPTIDE.
CYCLIZATION IS ACHIEVED BY LINKING THE N- AND
THE C- TERMINI.
CYCLOSPORIN C IS A NATURAL ANALOG OF CYCLOSPORIN A,
OBTAINED FROM A DIFFERENT NUTRIENT BROTH AND DIFFERS
FROM CYCLOSPORIN A IN RESIDUE 6 (ABA6THR).
;
_pdbx_reference_molecule.representative_PDB_id_code   1bck 
# 
_pdbx_reference_entity_list.prd_id          PRD_000144 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 11" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000144 1 1  N DAL 1  C ALA 11 sing 1 ? ? ? 
PRD_000144 1 2  C DAL 1  N MLE 2  sing 1 ? ? ? 
PRD_000144 1 3  C MLE 2  N MLE 3  sing 1 ? ? ? 
PRD_000144 1 4  C MLE 3  N MVA 4  sing 1 ? ? ? 
PRD_000144 1 5  C MVA 4  N BMT 5  sing 1 ? ? ? 
PRD_000144 1 6  C BMT 5  N THR 6  sing 1 ? ? ? 
PRD_000144 1 7  C THR 6  N SAR 7  sing 1 ? ? ? 
PRD_000144 1 8  C SAR 7  N MLE 8  sing 1 ? ? ? 
PRD_000144 1 9  C MLE 8  N VAL 9  sing 1 ? ? ? 
PRD_000144 1 10 C VAL 9  N MLE 10 sing 1 ? ? ? 
PRD_000144 1 11 C MLE 10 N ALA 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000144 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00034 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000144 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000144 1 1  DAL ALA N Y 
PRD_000144 1 2  MLE LEU N Y 
PRD_000144 1 3  MLE LEU N Y 
PRD_000144 1 4  MVA VAL N Y 
PRD_000144 1 5  BMT THR N Y 
PRD_000144 1 6  THR THR N Y 
PRD_000144 1 7  SAR GLY N Y 
PRD_000144 1 8  MLE LEU N Y 
PRD_000144 1 9  VAL VAL N Y 
PRD_000144 1 10 MLE LEU N Y 
PRD_000144 1 11 ALA ALA N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000144 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 61182 
_pdbx_reference_entity_src_nat.organism_scientific   "Acremonium luzulae" 
_pdbx_reference_entity_src_nat.source                PMCID 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000144 2012-02-03 RCSB "Create molecule"    
PRD_000144 2012-07-09 PDBE "Other modification" 
PRD_000144 2012-12-12 RCSB "Initial release"    
PRD_000144 2013-06-03 RCSB "Other modification" 
PRD_000144 2017-05-04 RCSB "Other modification" 
PRD_000144 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000150
# 
_pdbx_reference_molecule.prd_id                       PRD_000150 
_pdbx_reference_molecule.name                         "GRAMICIDIN A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C99 H140 N20 O17" 
_pdbx_reference_molecule.formula_weight               1882.3 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;GRAMICIDIN IS A HETEROGENEOUS MIXTURE OF SEVERAL COMPOUNDS
INCLUDING GRAMICIDIN A, B AND C WHICH ARE OBTAINED FROM
BACILLUS BREVIS AND CALLED COLLECTIVELY GRAMICIDIN D
HERE, GRAMICIDIN A IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;GRAMICIDIN A IS A HEXADECAMERIC HELICAL PEPTIDE
WITH ALTERNATING D,L CHARACTERISTICS.
THE N-TERM IS FORMYLATED (RESIDUE 0).
THE C-TERM IS CAPPED WITH ETHANOLAMINE (RESIDUE 16).
;
_pdbx_reference_molecule.representative_PDB_id_code   1alz 
# 
_pdbx_reference_entity_list.prd_id          PRD_000150 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 16" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000150 1 1  C FVA 1  N GLY 2  sing 1 ? ? ? 
PRD_000150 1 2  C GLY 2  N ALA 3  sing 1 ? ? ? 
PRD_000150 1 3  C ALA 3  N DLE 4  sing 1 ? ? ? 
PRD_000150 1 4  C DLE 4  N ALA 5  sing 1 ? ? ? 
PRD_000150 1 5  C ALA 5  N DVA 6  sing 1 ? ? ? 
PRD_000150 1 6  C DVA 6  N VAL 7  sing 1 ? ? ? 
PRD_000150 1 7  C VAL 7  N DVA 8  sing 1 ? ? ? 
PRD_000150 1 8  C DVA 8  N TRP 9  sing 1 ? ? ? 
PRD_000150 1 9  C TRP 9  N DLE 10 sing 1 ? ? ? 
PRD_000150 1 10 C DLE 10 N TRP 11 sing 1 ? ? ? 
PRD_000150 1 11 C TRP 11 N DLE 12 sing 1 ? ? ? 
PRD_000150 1 12 C DLE 12 N TRP 13 sing 1 ? ? ? 
PRD_000150 1 13 C TRP 13 N DLE 14 sing 1 ? ? ? 
PRD_000150 1 14 C DLE 14 N TRP 15 sing 1 ? ? ? 
PRD_000150 1 15 C TRP 15 N ETA 16 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000150 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00243 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000150 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000150 1 1  FVA VAL N Y 
PRD_000150 1 2  GLY GLY N Y 
PRD_000150 1 3  ALA ALA N Y 
PRD_000150 1 4  DLE LEU N Y 
PRD_000150 1 5  ALA ALA N Y 
PRD_000150 1 6  DVA VAL N Y 
PRD_000150 1 7  VAL VAL N Y 
PRD_000150 1 8  DVA VAL N Y 
PRD_000150 1 9  TRP TRP N Y 
PRD_000150 1 10 DLE LEU N Y 
PRD_000150 1 11 TRP TRP N Y 
PRD_000150 1 12 DLE LEU N Y 
PRD_000150 1 13 TRP TRP N Y 
PRD_000150 1 14 DLE LEU N Y 
PRD_000150 1 15 TRP TRP N Y 
PRD_000150 1 16 ETA ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000150 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1393 
_pdbx_reference_entity_src_nat.organism_scientific   "Bacillus brevis" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00246 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000150 2012-02-01 RCSB "Create molecule"    
PRD_000150 2012-07-09 PDBE "Other modification" 
PRD_000150 2012-07-31 RCSB "Other modification" 
PRD_000150 2012-12-12 RCSB "Initial release"    
PRD_000150 2013-06-03 RCSB "Other modification" 
PRD_000150 2017-05-04 RCSB "Other modification" 
PRD_000150 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000151
# 
_pdbx_reference_molecule.prd_id                       PRD_000151 
_pdbx_reference_molecule.name                         "GRAMICIDIN B" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C97 H139 N19 O17" 
_pdbx_reference_molecule.formula_weight               1843.259 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;GRAMICIDIN IS A HETEROGENEOUS MIXTURE OF SEVERAL COMPOUNDS
INCLUDING GRAMICIDIN A, B AND C WHICH ARE OBTAINED FROM
BACILLUS BREVIS AND CALLED COLLECTIVELY GRAMICIDIN D
HERE, GRAMICIDIN B IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;GRAMICIDIN B IS A HEXADECAMERIC HELICAL PEPTIDE
WITH ALTERNATING D,L CHARACTERISTICS.
THE N-TERM IS FORMYLATED (RESIDUE 0).
THE C-TERM IS CAPPED WITH ETHANOLAMINE (RESIDUE 16).
;
_pdbx_reference_molecule.representative_PDB_id_code   1jo3 
# 
_pdbx_reference_entity_list.prd_id          PRD_000151 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 16" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000151 1 1  C FVA 1  N GLY 2  sing 1 ? ? ? 
PRD_000151 1 2  C GLY 2  N ALA 3  sing 1 ? ? ? 
PRD_000151 1 3  C ALA 3  N DLE 4  sing 1 ? ? ? 
PRD_000151 1 4  C DLE 4  N ALA 5  sing 1 ? ? ? 
PRD_000151 1 5  C ALA 5  N DVA 6  sing 1 ? ? ? 
PRD_000151 1 6  C DVA 6  N VAL 7  sing 1 ? ? ? 
PRD_000151 1 7  C VAL 7  N DVA 8  sing 1 ? ? ? 
PRD_000151 1 8  C DVA 8  N TRP 9  sing 1 ? ? ? 
PRD_000151 1 9  C TRP 9  N DLE 10 sing 1 ? ? ? 
PRD_000151 1 10 C DLE 10 N PHE 11 sing 1 ? ? ? 
PRD_000151 1 11 C PHE 11 N DLE 12 sing 1 ? ? ? 
PRD_000151 1 12 C DLE 12 N TRP 13 sing 1 ? ? ? 
PRD_000151 1 13 C TRP 13 N DLE 14 sing 1 ? ? ? 
PRD_000151 1 14 C DLE 14 N TRP 15 sing 1 ? ? ? 
PRD_000151 1 15 C TRP 15 N ETA 16 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000151 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00244 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000151 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000151 1 1  FVA VAL N Y 
PRD_000151 1 2  GLY GLY N Y 
PRD_000151 1 3  ALA ALA N Y 
PRD_000151 1 4  DLE LEU N Y 
PRD_000151 1 5  ALA ALA N Y 
PRD_000151 1 6  DVA VAL N Y 
PRD_000151 1 7  VAL VAL N Y 
PRD_000151 1 8  DVA VAL N Y 
PRD_000151 1 9  TRP TRP N Y 
PRD_000151 1 10 DLE LEU N Y 
PRD_000151 1 11 PHE PHE N Y 
PRD_000151 1 12 DLE LEU N Y 
PRD_000151 1 13 TRP TRP N Y 
PRD_000151 1 14 DLE LEU N Y 
PRD_000151 1 15 TRP TRP N Y 
PRD_000151 1 16 ETA ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000151 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1393 
_pdbx_reference_entity_src_nat.organism_scientific   "Bacillus brevis" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00247 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000151 2012-02-03 RCSB "Create molecule"    
PRD_000151 2012-07-09 PDBE "Other modification" 
PRD_000151 2012-07-31 RCSB "Other modification" 
PRD_000151 2012-12-12 RCSB "Initial release"    
PRD_000151 2013-06-03 RCSB "Other modification" 
PRD_000151 2017-05-04 RCSB "Other modification" 
PRD_000151 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000152
# 
_pdbx_reference_molecule.prd_id                       PRD_000152 
_pdbx_reference_molecule.name                         "GRAMICIDIN D" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C99 H140 N20 O17" 
_pdbx_reference_molecule.formula_weight               1882.29 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;GRAMICIDIN IS A HETEROGENEOUS MIXTURE OF SEVERAL COMPOUNDS
INCLUDING GRAMICIDIN A, B AND C WHICH ARE OBTAINED FROM
BACILLUS BREVIS AND CALLED COLLECTIVELY GRAMICIDIN D.
HERE, GRAMICIDIN D IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;GRAMICIDIN D IS A HEXADECAMERIC HELICAL PEPTIDE
WITH ALTERNATING D,L CHARACTERISTICS.
THE N-TERM IS FORMYLATED (RESIDUE 1).
THE C-TERM IS CAPPED WITH ETHANOLAMINE (RESIDUE 16).
;
_pdbx_reference_molecule.representative_PDB_id_code   2izq 
# 
_pdbx_reference_entity_list.prd_id          PRD_000152 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 16" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000152 1 1  C FVA 1  N GLY 2  sing 1 ? ? ? 
PRD_000152 1 2  C GLY 2  N ALA 3  sing 1 ? ? ? 
PRD_000152 1 3  C ALA 3  N DLE 4  sing 1 ? ? ? 
PRD_000152 1 4  C DLE 4  N ALA 5  sing 1 ? ? ? 
PRD_000152 1 5  C ALA 5  N DVA 6  sing 1 ? ? ? 
PRD_000152 1 6  C DVA 6  N VAL 7  sing 1 ? ? ? 
PRD_000152 1 7  C VAL 7  N DVA 8  sing 1 ? ? ? 
PRD_000152 1 8  C DVA 8  N TRP 9  sing 1 ? ? ? 
PRD_000152 1 9  C TRP 9  N DLE 10 sing 1 ? ? ? 
PRD_000152 1 10 C DLE 10 N TYR 11 sing 1 ? ? ? 
PRD_000152 1 11 C DLE 10 N TRP 11 sing 1 ? ? ? 
PRD_000152 1 12 C TRP 11 N DLE 12 sing 1 ? ? ? 
PRD_000152 1 13 C TYR 11 N DLE 12 sing 1 ? ? ? 
PRD_000152 1 14 C PHE 11 N DLE 12 sing 1 ? ? ? 
PRD_000152 1 15 C DLE 12 N TRP 13 sing 1 ? ? ? 
PRD_000152 1 16 C TRP 13 N DLE 14 sing 1 ? ? ? 
PRD_000152 1 17 C DLE 14 N TRP 15 sing 1 ? ? ? 
PRD_000152 1 18 C TRP 15 N ETA 16 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000152 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00243 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000152 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000152 1 1  FVA VAL N Y 
PRD_000152 1 2  GLY GLY N Y 
PRD_000152 1 3  ALA ALA N Y 
PRD_000152 1 4  DLE LEU N Y 
PRD_000152 1 5  ALA ALA N Y 
PRD_000152 1 6  DVA VAL N Y 
PRD_000152 1 7  VAL VAL N Y 
PRD_000152 1 8  DVA VAL N Y 
PRD_000152 1 9  TRP TRP N Y 
PRD_000152 1 10 DLE LEU N Y 
PRD_000152 1 11 TRP TRP Y Y 
PRD_000152 1 11 TYR TYR Y Y 
PRD_000152 1 11 PHE PHE Y Y 
PRD_000152 1 12 DLE LEU N Y 
PRD_000152 1 13 TRP TRP N Y 
PRD_000152 1 14 DLE LEU N Y 
PRD_000152 1 15 TRP TRP N Y 
PRD_000152 1 16 ETA ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000152 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1393 
_pdbx_reference_entity_src_nat.organism_scientific   "bacillus brevis" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00248 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000152 2012-02-03 RCSB "Create molecule"    
PRD_000152 2012-07-09 PDBE "Other modification" 
PRD_000152 2012-08-01 RCSB "Other modification" 
PRD_000152 2012-12-12 RCSB "Initial release"    
PRD_000152 2013-06-03 RCSB "Other modification" 
PRD_000152 2017-05-04 RCSB "Other modification" 
PRD_000152 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000153
# 
_pdbx_reference_molecule.prd_id                       PRD_000153 
_pdbx_reference_molecule.name                         "GRAMICIDIN C" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C99 H140 N20 O17" 
_pdbx_reference_molecule.formula_weight               1882.29 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;GRAMICIDIN IS A HETEROGENEOUS MIXTURE OF SEVERAL COMPOUNDS
INCLUDING GRAMICIDIN A, B AND C WHICH ARE OBTAINED FROM
BACILLUS BREVIS AND CALLED COLLECTIVELY GRAMICIDIN D
HERE, GRAMICIDIN C IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;GRAMICIDIN C IS A HEXADECAMERIC HELICAL PEPTIDE
WITH ALTERNATING D,L CHARACTERISTICS.
THE N-TERM IS FORMYLATED (RESIDUE 0).
THE C-TERM IS CAPPED WITH ETHANOLAMINE (RESIDUE 16).
;
_pdbx_reference_molecule.representative_PDB_id_code   1alz 
# 
_pdbx_reference_entity_list.prd_id          PRD_000153 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 16" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000153 1 1  C FVA 1  N GLY 2  sing 1 ? ? ? 
PRD_000153 1 2  C QIL 1  N GLY 2  sing 1 ? ? ? 
PRD_000153 1 3  C GLY 2  N ALA 3  sing 1 ? ? ? 
PRD_000153 1 4  C ALA 3  N DLE 4  sing 1 ? ? ? 
PRD_000153 1 5  C DLE 4  N ALA 5  sing 1 ? ? ? 
PRD_000153 1 6  C ALA 5  N DVA 6  sing 1 ? ? ? 
PRD_000153 1 7  C DVA 6  N VAL 7  sing 1 ? ? ? 
PRD_000153 1 8  C VAL 7  N DVA 8  sing 1 ? ? ? 
PRD_000153 1 9  C DVA 8  N TRP 9  sing 1 ? ? ? 
PRD_000153 1 10 C TRP 9  N DLE 10 sing 1 ? ? ? 
PRD_000153 1 11 C DLE 10 N TRP 11 sing 1 ? ? ? 
PRD_000153 1 12 C DLE 10 N TYR 11 sing 1 ? ? ? 
PRD_000153 1 13 C TYR 11 N DLE 12 sing 1 ? ? ? 
PRD_000153 1 14 C TRP 11 N DLE 12 sing 1 ? ? ? 
PRD_000153 1 15 C DLE 12 N TRP 13 sing 1 ? ? ? 
PRD_000153 1 16 C TRP 13 N DLE 14 sing 1 ? ? ? 
PRD_000153 1 17 C DLE 14 N TRP 15 sing 1 ? ? ? 
PRD_000153 1 18 C TRP 15 N ETA 16 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000153 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00248 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000153 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000153 1 1  FVA VAL Y Y 
PRD_000153 1 1  QIL ILE Y Y 
PRD_000153 1 2  GLY GLY N Y 
PRD_000153 1 3  ALA ALA N Y 
PRD_000153 1 4  DLE LEU N Y 
PRD_000153 1 5  ALA ALA N Y 
PRD_000153 1 6  DVA VAL N Y 
PRD_000153 1 7  VAL VAL N Y 
PRD_000153 1 8  DVA VAL N Y 
PRD_000153 1 9  TRP TRP N Y 
PRD_000153 1 10 DLE LEU N Y 
PRD_000153 1 11 TRP TRP Y Y 
PRD_000153 1 11 TYR TYR Y Y 
PRD_000153 1 12 DLE LEU N Y 
PRD_000153 1 13 TRP TRP N Y 
PRD_000153 1 14 DLE LEU N Y 
PRD_000153 1 15 TRP TRP N Y 
PRD_000153 1 16 ETA ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000153 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1393 
_pdbx_reference_entity_src_nat.organism_scientific   "bacillus brevis" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00245 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000153 2012-02-03 RCSB "Create molecule"    
PRD_000153 2012-07-09 PDBE "Other modification" 
PRD_000153 2012-07-31 RCSB "Other modification" 
PRD_000153 2012-12-12 RCSB "Initial release"    
PRD_000153 2013-06-03 RCSB "Other modification" 
PRD_000153 2017-05-04 RCSB "Other modification" 
PRD_000153 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000154
# 
_pdbx_reference_molecule.prd_id                       PRD_000154 
_pdbx_reference_molecule.name                         "MINI-GRAMICIDIN A DIMER" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C168 H226 N32 O26" 
_pdbx_reference_molecule.formula_weight               3109.791 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;GRAMICIDIN IS A HETEROGENEOUS MIXTURE OF SEVERAL COMPOUNDS
INCLUDING GRAMICIDIN A, B AND C WHICH ARE OBTAINED FROM
BACILLUS BREVIS AND CALLED COLLECTIVELY GRAMICIDIN D
HERE, A MODIFIDED GRAMICIDIN A IS REPRESENTED BY TWO SEQUENCES
(SEQRES) AND ONE HET (SIN)
;
_pdbx_reference_molecule.description                  
;THE N-TERMINI OF THE TWO IDENTICAL PEPTIDES, EACH
A TRUNCATED GRAMICIDIN A WERE LINKED BY A SUCCINIC
ACID IN A HEAD-TO-HEAD MANNER.
;
_pdbx_reference_molecule.representative_PDB_id_code   1kqe 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000154 1 1 polymer     "CHAIN A PEPTIDE LIKE SEQUENCE RESIDUES 5 TO 16" 
PRD_000154 1 2 polymer     "CHAIN A PEPTIDE LIKE SEQUENCE RESIDUES 5 TO 16" 
PRD_000154 2 3 non-polymer "SUCCINIC ACID"                                  
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000154 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "SUCCINIC ACID" 
_pdbx_reference_entity_nonpoly.chem_comp_id    SIN 
_pdbx_reference_entity_nonpoly.details         ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000154 1 PN 1 1 ALA N 2 ? SIN C4 sing 1 3 ? ? ? 
PRD_000154 2 PN 1 1 ALA N 2 ? SIN C1 sing 2 3 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000154 1 1  C ALA 1  N DVA 2  sing 1 ? ? ? 
PRD_000154 1 2  C DVA 2  N VAL 3  sing 1 ? ? ? 
PRD_000154 1 3  C VAL 3  N DVA 4  sing 1 ? ? ? 
PRD_000154 1 4  C DVA 4  N TRP 5  sing 1 ? ? ? 
PRD_000154 1 5  C TRP 5  N DLE 6  sing 1 ? ? ? 
PRD_000154 1 6  C DLE 6  N TRP 7  sing 1 ? ? ? 
PRD_000154 1 7  C TRP 7  N DLE 8  sing 1 ? ? ? 
PRD_000154 1 8  C DLE 8  N TRP 9  sing 1 ? ? ? 
PRD_000154 1 9  C TRP 9  N DLE 10 sing 1 ? ? ? 
PRD_000154 1 10 C DLE 10 N TRP 11 sing 1 ? ? ? 
PRD_000154 1 11 C TRP 11 N ETA 12 sing 1 ? ? ? 
PRD_000154 1 12 C ALA 1  N DVA 2  sing 2 ? ? ? 
PRD_000154 1 13 C DVA 2  N VAL 3  sing 2 ? ? ? 
PRD_000154 1 14 C VAL 3  N DVA 4  sing 2 ? ? ? 
PRD_000154 1 15 C DVA 4  N TRP 5  sing 2 ? ? ? 
PRD_000154 1 16 C TRP 5  N DLE 6  sing 2 ? ? ? 
PRD_000154 1 17 C DLE 6  N TRP 7  sing 2 ? ? ? 
PRD_000154 1 18 C TRP 7  N DLE 8  sing 2 ? ? ? 
PRD_000154 1 19 C DLE 8  N TRP 9  sing 2 ? ? ? 
PRD_000154 1 20 C TRP 9  N DLE 10 sing 2 ? ? ? 
PRD_000154 1 21 C DLE 10 N TRP 11 sing 2 ? ? ? 
PRD_000154 1 22 C TRP 11 N ETA 12 sing 2 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000154 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00243 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000154 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000154 1 1  ALA ALA N Y 
PRD_000154 1 2  DVA VAL N Y 
PRD_000154 1 3  VAL VAL N Y 
PRD_000154 1 4  DVA VAL N Y 
PRD_000154 1 5  TRP TRP N Y 
PRD_000154 1 6  DLE LEU N Y 
PRD_000154 1 7  TRP TRP N Y 
PRD_000154 1 8  DLE LEU N Y 
PRD_000154 1 9  TRP TRP N Y 
PRD_000154 1 10 DLE LEU N Y 
PRD_000154 1 11 TRP TRP N Y 
PRD_000154 1 12 ETA ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000154 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1393 
_pdbx_reference_entity_src_nat.organism_scientific   "bacillus brevis" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00245 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000154 2012-02-10 RCSB "Create molecule"    
PRD_000154 2012-07-09 PDBE "Other modification" 
PRD_000154 2012-12-12 RCSB "Initial release"    
PRD_000154 2013-06-03 RCSB "Other modification" 
PRD_000154 2017-05-04 RCSB "Other modification" 
PRD_000154 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000155
# 
_pdbx_reference_molecule.prd_id                       PRD_000155 
_pdbx_reference_molecule.name                         "MINI-GRAMICIDIN A - GRAMICIDIN A DIMER" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C180 H244 N34 O30" 
_pdbx_reference_molecule.formula_weight               3364.073 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;GRAMICIDIN IS A HETEROGENEOUS MIXTURE OF SEVERAL COMPOUNDS
INCLUDING GRAMICIDIN A, B AND C WHICH ARE OBTAINED FROM
BACILLUS BREVIS AND CALLED COLLECTIVELY GRAMICIDIN D
HERE, MODIFIDED GRAMICIDIN A IS REPRESENTED BY TWO SEQUENCES (SEQRES)
AND ONE HET (SIN)
;
_pdbx_reference_molecule.description                  
;THE N-TERMINI OF THE TWO PEPTIDES, EACH A
TRUNCATED GRAMICIDIN A, WERE LINKED BY A SUCCINIC
ACID IN A HEAD-TO-HEAD MANNER.
;
_pdbx_reference_molecule.representative_PDB_id_code   1tkq 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000155 1 1 polymer     "CHAIN A PEPTIDE LIKE SEQUENCE RESIDUES 5 TO 15" 
PRD_000155 2 2 polymer     "CHAIN B PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 15" 
PRD_000155 3 3 non-polymer "SUCCINIC ACID"                                  
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000155 
_pdbx_reference_entity_nonpoly.ref_entity_id   3 
_pdbx_reference_entity_nonpoly.name            "SUCCINIC ACID" 
_pdbx_reference_entity_nonpoly.chem_comp_id    SIN 
_pdbx_reference_entity_nonpoly.details         ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000155 1 PN 1 1 ALA N 3 ? SIN C1 sing 1 3 ? ? ? 
PRD_000155 2 PN 2 1 VAL N 3 ? SIN C4 sing 2 3 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000155 1 1  C ALA 1  N DVA 2  sing 1 ? ? ? 
PRD_000155 1 2  C DVA 2  N VAL 3  sing 1 ? ? ? 
PRD_000155 1 3  C VAL 3  N DVA 4  sing 1 ? ? ? 
PRD_000155 1 4  C DVA 4  N TRP 5  sing 1 ? ? ? 
PRD_000155 1 5  C TRP 5  N DLE 6  sing 1 ? ? ? 
PRD_000155 1 6  C DLE 6  N TRP 7  sing 1 ? ? ? 
PRD_000155 1 7  C TRP 7  N DLE 8  sing 1 ? ? ? 
PRD_000155 1 8  C DLE 8  N TRP 9  sing 1 ? ? ? 
PRD_000155 1 9  C TRP 9  N DLE 10 sing 1 ? ? ? 
PRD_000155 1 10 C DLE 10 N TRP 11 sing 1 ? ? ? 
PRD_000155 2 11 C VAL 1  N GLY 2  sing 2 ? ? ? 
PRD_000155 2 12 C GLY 2  N ALA 3  sing 2 ? ? ? 
PRD_000155 2 13 C ALA 3  N DLE 4  sing 2 ? ? ? 
PRD_000155 2 14 C DLE 4  N ALA 5  sing 2 ? ? ? 
PRD_000155 2 15 C ALA 5  N DVA 6  sing 2 ? ? ? 
PRD_000155 2 16 C DVA 6  N VAL 7  sing 2 ? ? ? 
PRD_000155 2 17 C VAL 7  N DVA 8  sing 2 ? ? ? 
PRD_000155 2 18 C DVA 8  N TRP 9  sing 2 ? ? ? 
PRD_000155 2 19 C TRP 9  N DLE 10 sing 2 ? ? ? 
PRD_000155 2 20 C DLE 10 N TRP 11 sing 2 ? ? ? 
PRD_000155 2 21 C TRP 11 N DLE 12 sing 2 ? ? ? 
PRD_000155 2 22 C DLE 12 N TRP 13 sing 2 ? ? ? 
PRD_000155 2 23 C TRP 13 N DLE 14 sing 2 ? ? ? 
PRD_000155 2 24 C DLE 14 N TRP 15 sing 2 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly.prd_id 
_pdbx_reference_entity_poly.ref_entity_id 
_pdbx_reference_entity_poly.db_code 
_pdbx_reference_entity_poly.db_name 
_pdbx_reference_entity_poly.type 
PRD_000155 1 NOR00243 NOR peptide-like 
PRD_000155 2 NOR00243 NOR peptide-like 
# 
loop_
_pdbx_reference_entity_sequence.prd_id 
_pdbx_reference_entity_sequence.ref_entity_id 
_pdbx_reference_entity_sequence.type 
_pdbx_reference_entity_sequence.NRP_flag 
PRD_000155 1 peptide-like Y 
PRD_000155 2 peptide-like Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000155 1 1  ALA ALA N Y 
PRD_000155 1 2  DVA VAL N Y 
PRD_000155 1 3  VAL VAL N Y 
PRD_000155 1 4  DVA VAL N Y 
PRD_000155 1 5  TRP TRP N Y 
PRD_000155 1 6  DLE LEU N Y 
PRD_000155 1 7  TRP TRP N Y 
PRD_000155 1 8  DLE LEU N Y 
PRD_000155 1 9  TRP TRP N Y 
PRD_000155 1 10 DLE LEU N Y 
PRD_000155 1 11 TRP TRP N Y 
PRD_000155 2 1  VAL VAL N Y 
PRD_000155 2 2  GLY GLY N Y 
PRD_000155 2 3  ALA ALA N Y 
PRD_000155 2 4  DLE LEU N Y 
PRD_000155 2 5  ALA ALA N Y 
PRD_000155 2 6  DVA VAL N Y 
PRD_000155 2 7  VAL VAL N Y 
PRD_000155 2 8  DVA VAL N Y 
PRD_000155 2 9  TRP TRP N Y 
PRD_000155 2 10 DLE LEU N Y 
PRD_000155 2 11 TRP TRP N Y 
PRD_000155 2 12 DLE LEU N Y 
PRD_000155 2 13 TRP TRP N Y 
PRD_000155 2 14 DLE LEU N Y 
PRD_000155 2 15 TRP TRP N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000155 
_pdbx_reference_entity_src_nat.ref_entity_id         2 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1393 
_pdbx_reference_entity_src_nat.organism_scientific   "bacillus brevis" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00245 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000155 2012-02-03 RCSB "Create molecule"    
PRD_000155 2012-07-09 PDBE "Other modification" 
PRD_000155 2012-12-12 RCSB "Initial release"    
PRD_000155 2013-06-03 RCSB "Other modification" 
PRD_000155 2017-05-04 RCSB "Other modification" 
PRD_000155 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000156
# 
_pdbx_reference_molecule.prd_id                       PRD_000156 
_pdbx_reference_molecule.name                         "Cephaibol A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptaibol 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C82 H127 N17 O20" 
_pdbx_reference_molecule.formula_weight               1670.988 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;CEPHAIBOL A IS LINEAR PEPTIDE, A MEMBER OF THE PEPTAIBOL
FAMILY OF MEMBRANE CHANNEL FORMING PEPTIDES.
HERE, CEPHAIBOL A IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;CEPHAIBOL A IS A HEXADECAMERIC HELICAL PEPTIDE.
THE N-TERM IS ACETYLATED (RESIDUE 0)
;
_pdbx_reference_molecule.representative_PDB_id_code   1ob4 
# 
_pdbx_reference_entity_list.prd_id          PRD_000156 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 0 TO 16" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000156 1 1  C ACE 1  N PHE 2  sing 1 ? ? ? 
PRD_000156 1 2  C PHE 2  N AIB 3  sing 1 ? ? ? 
PRD_000156 1 3  C AIB 3  N AIB 4  sing 1 ? ? ? 
PRD_000156 1 4  C AIB 4  N AIB 5  sing 1 ? ? ? 
PRD_000156 1 5  C AIB 5  N AIB 6  sing 1 ? ? ? 
PRD_000156 1 6  C AIB 6  N GLY 7  sing 1 ? ? ? 
PRD_000156 1 7  C GLY 7  N LEU 8  sing 1 ? ? ? 
PRD_000156 1 8  C LEU 8  N DIV 9  sing 1 ? ? ? 
PRD_000156 1 9  C DIV 9  N AIB 10 sing 1 ? ? ? 
PRD_000156 1 10 C AIB 10 N HYP 11 sing 1 ? ? ? 
PRD_000156 1 11 C HYP 11 N GLN 12 sing 1 ? ? ? 
PRD_000156 1 12 C GLN 12 N DIV 13 sing 1 ? ? ? 
PRD_000156 1 13 C DIV 13 N HYP 14 sing 1 ? ? ? 
PRD_000156 1 14 C HYP 14 N AIB 15 sing 1 ? ? ? 
PRD_000156 1 15 C AIB 15 N PRO 16 sing 1 ? ? ? 
PRD_000156 1 16 C PRO 16 N PHL 17 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000156 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00969 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000156 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000156 1 1  ACE ?   N Y 
PRD_000156 1 2  PHE PHE N Y 
PRD_000156 1 3  AIB ?   N Y 
PRD_000156 1 4  AIB ?   N Y 
PRD_000156 1 5  AIB ?   N Y 
PRD_000156 1 6  AIB ?   N Y 
PRD_000156 1 7  GLY GLY N Y 
PRD_000156 1 8  LEU LEU N Y 
PRD_000156 1 9  DIV VAL N Y 
PRD_000156 1 10 AIB ?   N Y 
PRD_000156 1 11 HYP PRO N Y 
PRD_000156 1 12 GLN GLN N Y 
PRD_000156 1 13 DIV VAL N Y 
PRD_000156 1 14 HYP PRO N Y 
PRD_000156 1 15 AIB ?   N Y 
PRD_000156 1 16 PRO PRO N Y 
PRD_000156 1 17 PHL PHE N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000156 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 146077 
_pdbx_reference_entity_src_nat.organism_scientific   "fungus Acremonium tubakii FH 1685 DSM 12774" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00969 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000156 2012-02-03 RCSB "Create molecule"    
PRD_000156 2012-07-09 PDBE "Other modification" 
PRD_000156 2012-12-12 RCSB "Initial release"    
PRD_000156 2013-06-03 RCSB "Other modification" 
PRD_000156 2017-05-04 RCSB "Other modification" 
PRD_000156 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000157
# 
_pdbx_reference_molecule.prd_id                       PRD_000157 
_pdbx_reference_molecule.name                         "Cephaibol B" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptaibol 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C83 H129 N17 O20" 
_pdbx_reference_molecule.formula_weight               1685.014 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;CEPHAIBOL B IS LINEAR PEPTIDE, A MEMBER OF THE PEPTAIBOL
FAMILY OF MEMBRANE CHANNEL FORMING PEPTIDES.
HERE, CEPHAIBOL B IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;CEPHAIBOL A IS A  HEXADECAMERIC HELICAL PEPTIDE.
THE N-TERM IS ACETYLATED (RESIDUE 0)
;
_pdbx_reference_molecule.representative_PDB_id_code   1ob6 
# 
_pdbx_reference_entity_list.prd_id          PRD_000157 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 0 TO 16" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000157 1 1  C ACE 1  N PHE 2  sing 1 ? ? ? 
PRD_000157 1 2  C PHE 2  N AIB 3  sing 1 ? ? ? 
PRD_000157 1 3  C AIB 3  N AIB 4  sing 1 ? ? ? 
PRD_000157 1 4  C AIB 4  N AIB 5  sing 1 ? ? ? 
PRD_000157 1 5  C AIB 5  N DIV 6  sing 1 ? ? ? 
PRD_000157 1 6  C DIV 6  N GLY 7  sing 1 ? ? ? 
PRD_000157 1 7  C GLY 7  N LEU 8  sing 1 ? ? ? 
PRD_000157 1 8  C LEU 8  N DIV 9  sing 1 ? ? ? 
PRD_000157 1 9  C DIV 9  N AIB 10 sing 1 ? ? ? 
PRD_000157 1 10 C AIB 10 N HYP 11 sing 1 ? ? ? 
PRD_000157 1 11 C HYP 11 N GLN 12 sing 1 ? ? ? 
PRD_000157 1 12 C GLN 12 N DIV 13 sing 1 ? ? ? 
PRD_000157 1 13 C DIV 13 N HYP 14 sing 1 ? ? ? 
PRD_000157 1 14 C HYP 14 N AIB 15 sing 1 ? ? ? 
PRD_000157 1 15 C AIB 15 N PRO 16 sing 1 ? ? ? 
PRD_000157 1 16 C PRO 16 N PHL 17 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000157 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00971 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000157 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000157 1 1  ACE ?   N Y 
PRD_000157 1 2  PHE PHE N Y 
PRD_000157 1 3  AIB ?   N Y 
PRD_000157 1 4  AIB ?   N Y 
PRD_000157 1 5  AIB ?   N Y 
PRD_000157 1 6  DIV VAL N Y 
PRD_000157 1 7  GLY GLY N Y 
PRD_000157 1 8  LEU LEU N Y 
PRD_000157 1 9  DIV VAL N Y 
PRD_000157 1 10 AIB ?   N Y 
PRD_000157 1 11 HYP PRO N Y 
PRD_000157 1 12 GLN GLN N Y 
PRD_000157 1 13 DIV VAL N Y 
PRD_000157 1 14 HYP PRO N Y 
PRD_000157 1 15 AIB ?   N Y 
PRD_000157 1 16 PRO PRO N Y 
PRD_000157 1 17 PHL PHE N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000157 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 146077 
_pdbx_reference_entity_src_nat.organism_scientific   "fungus Acremonium tubakii FH 1685 DSM 12774" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00971 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000157 2012-02-03 RCSB "Create molecule"    
PRD_000157 2012-07-09 PDBE "Other modification" 
PRD_000157 2012-12-12 RCSB "Initial release"    
PRD_000157 2013-06-03 RCSB "Other modification" 
PRD_000157 2017-05-04 RCSB "Other modification" 
PRD_000157 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000158
# 
_pdbx_reference_molecule.prd_id                       PRD_000158 
_pdbx_reference_molecule.name                         "Cephaibol C" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptaibol 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C82 H127 N17 O20" 
_pdbx_reference_molecule.formula_weight               1670.988 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;CEPHAIBOL C IS LINEAR PEPTIDE, A MEMBER OF THE PEPTAIBOL
FAMILY OF MEMBRANE CHANNEL FORMING PEPTIDES.
HERE, CEPHAIBOL B IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;CEPHAIBOL C IS A HEXADECAMERIC HELICAL PEPTIDE.
THE N-TERM IS ACETYLATED (RESIDUE 0)
;
_pdbx_reference_molecule.representative_PDB_id_code   1ob7 
# 
_pdbx_reference_entity_list.prd_id          PRD_000158 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 0 TO 16" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000158 1 1  C ACE 1  N PHE 2  sing 1 ? ? ? 
PRD_000158 1 2  C PHE 2  N AIB 3  sing 1 ? ? ? 
PRD_000158 1 3  C AIB 3  N AIB 4  sing 1 ? ? ? 
PRD_000158 1 4  C AIB 4  N AIB 5  sing 1 ? ? ? 
PRD_000158 1 5  C AIB 5  N AIB 6  sing 1 ? ? ? 
PRD_000158 1 6  C AIB 6  N GLY 7  sing 1 ? ? ? 
PRD_000158 1 7  C GLY 7  N LEU 8  sing 1 ? ? ? 
PRD_000158 1 8  C LEU 8  N DIV 9  sing 1 ? ? ? 
PRD_000158 1 9  C DIV 9  N AIB 10 sing 1 ? ? ? 
PRD_000158 1 10 C AIB 10 N HYP 11 sing 1 ? ? ? 
PRD_000158 1 11 C HYP 11 N GLN 12 sing 1 ? ? ? 
PRD_000158 1 12 C GLN 12 N DIV 13 sing 1 ? ? ? 
PRD_000158 1 13 C GLN 12 N AIB 13 sing 1 ? ? ? 
PRD_000158 1 14 C DIV 13 N HYP 14 sing 1 ? ? ? 
PRD_000158 1 15 C AIB 13 N HYP 14 sing 1 ? ? ? 
PRD_000158 1 16 C HYP 14 N AIB 15 sing 1 ? ? ? 
PRD_000158 1 17 C AIB 15 N PRO 16 sing 1 ? ? ? 
PRD_000158 1 18 C PRO 16 N PHL 17 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000158 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00972 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000158 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000158 1 1  ACE ?   N Y 
PRD_000158 1 2  PHE PHE N Y 
PRD_000158 1 3  AIB ?   N Y 
PRD_000158 1 4  AIB ?   N Y 
PRD_000158 1 5  AIB ?   N Y 
PRD_000158 1 6  AIB ,   N Y 
PRD_000158 1 7  GLY GLY N Y 
PRD_000158 1 8  LEU LEU N Y 
PRD_000158 1 9  DIV VAL N Y 
PRD_000158 1 10 AIB ?   N Y 
PRD_000158 1 11 HYP PRO N Y 
PRD_000158 1 12 GLN GLN N Y 
PRD_000158 1 13 DIV VAL Y Y 
PRD_000158 1 13 AIB ?   Y Y 
PRD_000158 1 14 HYP PRO N Y 
PRD_000158 1 15 AIB ?   N Y 
PRD_000158 1 16 PRO PRO N Y 
PRD_000158 1 17 PHL PHE N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000158 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 146077 
_pdbx_reference_entity_src_nat.organism_scientific   "fungus Acremonium tubakii FH 1685 DSM 12774" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00972 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000158 2012-02-03 RCSB "Create molecule"    
PRD_000158 2012-07-09 PDBE "Other modification" 
PRD_000158 2012-12-12 RCSB "Initial release"    
PRD_000158 2013-06-03 RCSB "Other modification" 
PRD_000158 2017-05-04 RCSB "Other modification" 
PRD_000158 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000159
# 
_pdbx_reference_molecule.prd_id                       PRD_000159 
_pdbx_reference_molecule.name                         "Zervamicin IIB" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptaibol 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C90 H139 N19 O22" 
_pdbx_reference_molecule.formula_weight               1839.181 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;ZERVAMICIN IIB IS LINEAR PEPTIDE, A MEMBER OF THE PEPTAIBOL
FAMILY OF MEMBRANE CHANNEL FORMING PEPTIDES.
HERE, ZERVAMICIN IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;ZERVAMICIN IS A HEXADECAMERIC HELICAL PEPTIDE.
THE N-TERM IS ACETYLATED (RESIDUE 0)
;
_pdbx_reference_molecule.representative_PDB_id_code   1ih9 
# 
_pdbx_reference_entity_list.prd_id          PRD_000159 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 0 TO 16" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000159 1 1  C ACE 1  N TRP 2  sing 1 ? ? ? 
PRD_000159 1 2  C TRP 2  N ILE 3  sing 1 ? ? ? 
PRD_000159 1 3  C ILE 3  N GLN 4  sing 1 ? ? ? 
PRD_000159 1 4  C GLN 4  N DIV 5  sing 1 ? ? ? 
PRD_000159 1 5  C DIV 5  N ILE 6  sing 1 ? ? ? 
PRD_000159 1 6  C ILE 6  N THR 7  sing 1 ? ? ? 
PRD_000159 1 7  C THR 7  N AIB 8  sing 1 ? ? ? 
PRD_000159 1 8  C AIB 8  N LEU 9  sing 1 ? ? ? 
PRD_000159 1 9  C LEU 9  N AIB 10 sing 1 ? ? ? 
PRD_000159 1 10 C AIB 10 N HYP 11 sing 1 ? ? ? 
PRD_000159 1 11 C HYP 11 N GLN 12 sing 1 ? ? ? 
PRD_000159 1 12 C GLN 12 N AIB 13 sing 1 ? ? ? 
PRD_000159 1 13 C AIB 13 N HYP 14 sing 1 ? ? ? 
PRD_000159 1 14 C HYP 14 N AIB 15 sing 1 ? ? ? 
PRD_000159 1 15 C AIB 15 N PRO 16 sing 1 ? ? ? 
PRD_000159 1 16 C PRO 16 N PHL 17 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000159 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR01092 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000159 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000159 1 1  ACE ?   N Y 
PRD_000159 1 2  TRP TRP N Y 
PRD_000159 1 3  ILE ILE N Y 
PRD_000159 1 4  GLN GLN N Y 
PRD_000159 1 5  DIV VAL N Y 
PRD_000159 1 6  ILE ILE N Y 
PRD_000159 1 7  THR THR N Y 
PRD_000159 1 8  AIB ?   N Y 
PRD_000159 1 9  LEU LEU N Y 
PRD_000159 1 10 AIB ?   N Y 
PRD_000159 1 11 HYP PRO N Y 
PRD_000159 1 12 GLN GLN N Y 
PRD_000159 1 13 AIB ?   N Y 
PRD_000159 1 14 HYP PRO N Y 
PRD_000159 1 15 AIB ?   N Y 
PRD_000159 1 16 PRO PRO N Y 
PRD_000159 1 17 PHL PHE N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000159 1 1 118885 "Emericellopsis salmosynnemata strain 336" ? 270078   NADB   ? 
PRD_000159 1 2 118885 "Emericellopsis salmosynnemata"            ? NOR01092 Norine ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000159 2012-02-03 RCSB "Create molecule"    
PRD_000159 2012-07-09 PDBE "Other modification" 
PRD_000159 2012-12-12 RCSB "Initial release"    
PRD_000159 2013-06-03 RCSB "Other modification" 
PRD_000159 2017-05-04 RCSB "Other modification" 
PRD_000159 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000160
# 
_pdbx_reference_molecule.prd_id                       PRD_000160 
_pdbx_reference_molecule.name                         "TRICHOTOXIN A50E" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptaibol 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C78 H136 N20 O21" 
_pdbx_reference_molecule.formula_weight               1690.036 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;TRICHOTOXIN_A50E IS LINEAR PEPTIDE, A MEMBER OF THE PEPTAIBOL
FAMILY OF MEMBRANE CHANNEL FORMING PEPTIDES.
HERE, TRICHOTOXIN_A50E IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;TRICHOTOXIN_A50E IS AN OCTADECAMERIC HELICAL PEPTIDE.
THE N-TERM IS ACETYLATED (RESIDUE 0)
;
_pdbx_reference_molecule.representative_PDB_id_code   1m24 
# 
_pdbx_reference_entity_list.prd_id          PRD_000160 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 0 TO 18" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000160 1 1  C ACE 1  N AIB 2  sing 1 ? ? ? 
PRD_000160 1 2  C AIB 2  N GLY 3  sing 1 ? ? ? 
PRD_000160 1 3  C GLY 3  N AIB 4  sing 1 ? ? ? 
PRD_000160 1 4  C AIB 4  N LEU 5  sing 1 ? ? ? 
PRD_000160 1 5  C LEU 5  N AIB 6  sing 1 ? ? ? 
PRD_000160 1 6  C AIB 6  N GLN 7  sing 1 ? ? ? 
PRD_000160 1 7  C GLN 7  N AIB 8  sing 1 ? ? ? 
PRD_000160 1 8  C AIB 8  N AIB 9  sing 1 ? ? ? 
PRD_000160 1 9  C AIB 9  N AIB 10 sing 1 ? ? ? 
PRD_000160 1 10 C AIB 10 N ALA 11 sing 1 ? ? ? 
PRD_000160 1 11 C ALA 11 N ALA 12 sing 1 ? ? ? 
PRD_000160 1 12 C ALA 12 N AIB 13 sing 1 ? ? ? 
PRD_000160 1 13 C AIB 13 N PRO 14 sing 1 ? ? ? 
PRD_000160 1 14 C PRO 14 N LEU 15 sing 1 ? ? ? 
PRD_000160 1 15 C LEU 15 N AIB 16 sing 1 ? ? ? 
PRD_000160 1 16 C AIB 16 N AIB 17 sing 1 ? ? ? 
PRD_000160 1 17 C AIB 17 N GLN 18 sing 1 ? ? ? 
PRD_000160 1 18 C GLN 18 N VOL 19 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000160 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR01101 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000160 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000160 1 1  ACE ?   N Y 
PRD_000160 1 2  AIB ?   N Y 
PRD_000160 1 3  GLY GLY N Y 
PRD_000160 1 4  AIB ?   N Y 
PRD_000160 1 5  LEU LEU N Y 
PRD_000160 1 6  AIB ?   N Y 
PRD_000160 1 7  GLN GLN N Y 
PRD_000160 1 8  AIB ?   N Y 
PRD_000160 1 9  AIB ?   N Y 
PRD_000160 1 10 AIB ?   N Y 
PRD_000160 1 11 ALA ALA N Y 
PRD_000160 1 12 ALA ALA N Y 
PRD_000160 1 13 AIB ?   N Y 
PRD_000160 1 14 PRO PRO N Y 
PRD_000160 1 15 LEU LEU N Y 
PRD_000160 1 16 AIB ?   N Y 
PRD_000160 1 17 AIB ?   N Y 
PRD_000160 1 18 GLN GLN N Y 
PRD_000160 1 19 VOL VAL N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000160 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 5547 
_pdbx_reference_entity_src_nat.organism_scientific   "Trichoderma viride, NRRL 5242B" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               NADB 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000160 2012-02-03 RCSB "Create molecule"    
PRD_000160 2012-07-09 PDBE "Other modification" 
PRD_000160 2012-12-12 RCSB "Initial release"    
PRD_000160 2013-06-03 RCSB "Other modification" 
PRD_000160 2017-05-04 RCSB "Other modification" 
PRD_000160 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000161
# 
_pdbx_reference_molecule.prd_id                       PRD_000161 
_pdbx_reference_molecule.name                         "Antiamoebin 1" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptaibol 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C82 H127 N17 O20" 
_pdbx_reference_molecule.formula_weight               1670.988 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;ANTIAMOEBIN I IS LINEAR PEPTIDE, A MEMBER OF THE PEPTAIBOL
FAMILY OF MEMBRANE CHANNEL FORMING PEPTIDES.
HERE, ANTIAMOEBIN I IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;ANTIAMOEBIN I IS A HEXADECAMERIC HELICAL PEPTIDE.
THE N-TERM IS ACETYLATED (RESIDUE 0)
;
_pdbx_reference_molecule.representative_PDB_id_code   1joh 
# 
_pdbx_reference_entity_list.prd_id          PRD_000161 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 0 TO 16" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000161 1 1  C ACE 1  N PHE 2  sing 1 ? ? ? 
PRD_000161 1 2  C PHE 2  N AIB 3  sing 1 ? ? ? 
PRD_000161 1 3  C AIB 3  N AIB 4  sing 1 ? ? ? 
PRD_000161 1 4  C AIB 4  N AIB 5  sing 1 ? ? ? 
PRD_000161 1 5  C AIB 5  N DIV 6  sing 1 ? ? ? 
PRD_000161 1 6  C DIV 6  N GLY 7  sing 1 ? ? ? 
PRD_000161 1 7  C GLY 7  N LEU 8  sing 1 ? ? ? 
PRD_000161 1 8  C LEU 8  N AIB 9  sing 1 ? ? ? 
PRD_000161 1 9  C AIB 9  N AIB 10 sing 1 ? ? ? 
PRD_000161 1 10 C AIB 10 N HYP 11 sing 1 ? ? ? 
PRD_000161 1 11 C HYP 11 N GLN 12 sing 1 ? ? ? 
PRD_000161 1 12 C GLN 12 N DIV 13 sing 1 ? ? ? 
PRD_000161 1 13 C DIV 13 N HYP 14 sing 1 ? ? ? 
PRD_000161 1 14 C HYP 14 N AIB 15 sing 1 ? ? ? 
PRD_000161 1 15 C AIB 15 N PRO 16 sing 1 ? ? ? 
PRD_000161 1 16 C PRO 16 N PHL 17 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000161 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00945 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000161 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000161 1 1  ACE ?   N Y 
PRD_000161 1 2  PHE PHE N Y 
PRD_000161 1 3  AIB ?   N Y 
PRD_000161 1 4  AIB ?   N Y 
PRD_000161 1 5  AIB ?   N Y 
PRD_000161 1 6  DIV VAL N Y 
PRD_000161 1 7  GLY GLY N Y 
PRD_000161 1 8  LEU LEU N Y 
PRD_000161 1 9  AIB ?   N Y 
PRD_000161 1 10 AIB ?   N Y 
PRD_000161 1 11 HYP PRO N Y 
PRD_000161 1 12 GLN GLN N Y 
PRD_000161 1 13 DIV VAL N Y 
PRD_000161 1 14 HYP PRO N Y 
PRD_000161 1 15 AIB ?   N Y 
PRD_000161 1 16 PRO PRO N Y 
PRD_000161 1 17 PHL PHE N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000161 1 1 118885 "Emericellopsis salmosynnemata" ? NOR00945 Norine ? 
PRD_000161 1 2 281372 "Emericellopsis synnematicola"  ? NOR00945 Norine ? 
PRD_000161 1 3 327576 "Stilbella fimetaria"           ? NOR00945 Norine ? 
PRD_000161 1 4 62888  "Gliocladium catenulatum"       ? NOR00945 Norine ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000161 2012-02-03 RCSB "Create molecule"    
PRD_000161 2012-07-09 PDBE "Other modification" 
PRD_000161 2012-12-12 RCSB "Initial release"    
PRD_000161 2013-06-03 RCSB "Other modification" 
PRD_000161 2017-05-04 RCSB "Other modification" 
PRD_000161 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000162
# 
_pdbx_reference_molecule.prd_id                       PRD_000162 
_pdbx_reference_molecule.name                         Chrysospermin-C 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptaibol 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C91 H142 N22 O23" 
_pdbx_reference_molecule.formula_weight               1912.235 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;CHRYSOSPERMIN C IS LINEAR PEPTIDE, A MEMBER OF THE PEPTAIBOL
FAMILY OF MEMBRANE CHANNEL FORMING PEPTIDES.
HERE, CHRYSOSPERMIN C IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;CHRYSOSPERMIN C IS A NONADECAMERIC HELICAL PEPTIDE.
THE N-TERM IS ACETYLATED (RESIDUE 0)
;
_pdbx_reference_molecule.representative_PDB_id_code   1ee7 
# 
_pdbx_reference_entity_list.prd_id          PRD_000162 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 0 TO 19" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000162 1 1  C ACE 1  N PHE 2  sing 1 ? ? ? 
PRD_000162 1 2  C PHE 2  N AIB 3  sing 1 ? ? ? 
PRD_000162 1 3  C AIB 3  N SER 4  sing 1 ? ? ? 
PRD_000162 1 4  C SER 4  N AIB 5  sing 1 ? ? ? 
PRD_000162 1 5  C AIB 5  N DIV 6  sing 1 ? ? ? 
PRD_000162 1 6  C DIV 6  N LEU 7  sing 1 ? ? ? 
PRD_000162 1 7  C LEU 7  N GLN 8  sing 1 ? ? ? 
PRD_000162 1 8  C GLN 8  N GLY 9  sing 1 ? ? ? 
PRD_000162 1 9  C GLY 9  N AIB 10 sing 1 ? ? ? 
PRD_000162 1 10 C AIB 10 N AIB 11 sing 1 ? ? ? 
PRD_000162 1 11 C AIB 11 N ALA 12 sing 1 ? ? ? 
PRD_000162 1 12 C ALA 12 N ALA 13 sing 1 ? ? ? 
PRD_000162 1 13 C ALA 13 N AIB 14 sing 1 ? ? ? 
PRD_000162 1 14 C AIB 14 N PRO 15 sing 1 ? ? ? 
PRD_000162 1 15 C PRO 15 N AIB 16 sing 1 ? ? ? 
PRD_000162 1 16 C AIB 16 N AIB 17 sing 1 ? ? ? 
PRD_000162 1 17 C AIB 17 N AIB 18 sing 1 ? ? ? 
PRD_000162 1 18 C AIB 18 N GLN 19 sing 1 ? ? ? 
PRD_000162 1 19 C GLN 19 N TPL 20 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000162 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00981 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000162 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000162 1 1  ACE ?   N Y 
PRD_000162 1 2  PHE PHE N Y 
PRD_000162 1 3  AIB ?   N Y 
PRD_000162 1 4  SER SER N Y 
PRD_000162 1 5  AIB ?   N Y 
PRD_000162 1 6  DIV VAL N Y 
PRD_000162 1 7  LEU LEU N Y 
PRD_000162 1 8  GLN GLN N Y 
PRD_000162 1 9  GLY GLY N Y 
PRD_000162 1 10 AIB ?   N Y 
PRD_000162 1 11 AIB ?   N Y 
PRD_000162 1 12 ALA ALA N Y 
PRD_000162 1 13 ALA ALA N Y 
PRD_000162 1 14 AIB ?   N Y 
PRD_000162 1 15 PRO PRO N Y 
PRD_000162 1 16 AIB ?   N Y 
PRD_000162 1 17 AIB ?   N Y 
PRD_000162 1 18 AIB ?   N Y 
PRD_000162 1 19 GLN GLN N Y 
PRD_000162 1 20 TPL TRP N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000162 1 1 5131 "Apiocrea chrysosperma Ap101" ? 480286   NADB   ? 
PRD_000162 1 2 5131 "Hypomyces chrysospermus"     ? NOR00981 Norine ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000162 2012-02-03 RCSB "Create molecule"    
PRD_000162 2012-07-09 PDBE "Other modification" 
PRD_000162 2012-12-12 RCSB "Initial release"    
PRD_000162 2013-06-03 RCSB "Other modification" 
PRD_000162 2017-05-04 RCSB "Other modification" 
PRD_000162 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000163
# 
_pdbx_reference_molecule.prd_id                       PRD_000163 
_pdbx_reference_molecule.name                         Alamethicin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptaibol 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C92 H150 N22 O25" 
_pdbx_reference_molecule.formula_weight               1964.3 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;ALAMETHICIN F30 IS LINEAR PEPTIDE, A MEMBER OF THE PEPTAIBOL
FAMILY OF MEMBRANE CHANNEL FORMING PEPTIDES.
HERE, ALAMETHICIN F30 IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;ALAMETHICIN F30 IS AN EICOSAMERIC HELICAL PEPTIDE.
THE N-TERM IS ACETYLATED (RESIDUE 0)
;
_pdbx_reference_molecule.representative_PDB_id_code   1amt 
# 
_pdbx_reference_entity_list.prd_id          PRD_000163 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 0 TO 20" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000163 1 1  C ACE 1  N AIB 2  sing 1 ? ? ? 
PRD_000163 1 2  C AIB 2  N PRO 3  sing 1 ? ? ? 
PRD_000163 1 3  C PRO 3  N AIB 4  sing 1 ? ? ? 
PRD_000163 1 4  C AIB 4  N ALA 5  sing 1 ? ? ? 
PRD_000163 1 5  C ALA 5  N AIB 6  sing 1 ? ? ? 
PRD_000163 1 6  C AIB 6  N ALA 7  sing 1 ? ? ? 
PRD_000163 1 7  C ALA 7  N GLN 8  sing 1 ? ? ? 
PRD_000163 1 8  C GLN 8  N AIB 9  sing 1 ? ? ? 
PRD_000163 1 9  C AIB 9  N VAL 10 sing 1 ? ? ? 
PRD_000163 1 10 C VAL 10 N AIB 11 sing 1 ? ? ? 
PRD_000163 1 11 C AIB 11 N GLY 12 sing 1 ? ? ? 
PRD_000163 1 12 C GLY 12 N LEU 13 sing 1 ? ? ? 
PRD_000163 1 13 C LEU 13 N AIB 14 sing 1 ? ? ? 
PRD_000163 1 14 C AIB 14 N PRO 15 sing 1 ? ? ? 
PRD_000163 1 15 C PRO 15 N VAL 16 sing 1 ? ? ? 
PRD_000163 1 16 C VAL 16 N AIB 17 sing 1 ? ? ? 
PRD_000163 1 17 C AIB 17 N AIB 18 sing 1 ? ? ? 
PRD_000163 1 18 C AIB 18 N GLU 19 sing 1 ? ? ? 
PRD_000163 1 19 C GLU 19 N GLN 20 sing 1 ? ? ? 
PRD_000163 1 20 C GLN 20 N PHL 21 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000163 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00010 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000163 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000163 1 1  ACE ?   N Y 
PRD_000163 1 2  AIB ?   N Y 
PRD_000163 1 3  PRO PRO N Y 
PRD_000163 1 4  AIB ?   N Y 
PRD_000163 1 5  ALA ALA N Y 
PRD_000163 1 6  AIB ?   N Y 
PRD_000163 1 7  ALA ALA N Y 
PRD_000163 1 8  GLN GLN N Y 
PRD_000163 1 9  AIB ?   N Y 
PRD_000163 1 10 VAL VAL N Y 
PRD_000163 1 11 AIB ?   N Y 
PRD_000163 1 12 GLY GLY N Y 
PRD_000163 1 13 LEU LEU N Y 
PRD_000163 1 14 AIB ?   N Y 
PRD_000163 1 15 PRO PRO N Y 
PRD_000163 1 16 VAL VAL N Y 
PRD_000163 1 17 AIB ?   N Y 
PRD_000163 1 18 AIB ?   N Y 
PRD_000163 1 19 GLU GLU N Y 
PRD_000163 1 20 GLN GLN N Y 
PRD_000163 1 21 PHL PHE N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000163 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 5547 
_pdbx_reference_entity_src_nat.organism_scientific   "Trichoderma viride" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00010 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000163 2012-02-01 RCSB "Create molecule"    
PRD_000163 2012-07-09 PDBE "Other modification" 
PRD_000163 2012-12-12 RCSB "Initial release"    
PRD_000163 2013-06-03 RCSB "Other modification" 
PRD_000163 2017-05-04 RCSB "Other modification" 
PRD_000163 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000180
# 
_pdbx_reference_molecule.prd_id                       PRD_000180 
_pdbx_reference_molecule.name                         Antipain 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H46 N10 O6" 
_pdbx_reference_molecule.formula_weight               606.718 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1BCR 
# 
_pdbx_reference_entity_list.prd_id          PRD_000180 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "[(S)-1-Carboxy-2-phenylethyl]-carbamoyl-Arg-Val-arginal Antipain linked to protein Ser" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000180 1 1 C1 FC0 1 N ARG 2 sing 1 ? ? ? 
PRD_000180 1 2 C  ARG 2 N VAL 3 sing 1 ? ? ? 
PRD_000180 1 3 C  VAL 3 N OAR 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000180 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00664 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000180 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000180 1 1 FC0 PHE N N 
PRD_000180 1 2 ARG ARG N N 
PRD_000180 1 3 VAL VAL N Y 
PRD_000180 1 4 OAR ?   N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000180 1 1 1760  Actinobacteria                ?            NOR00664 Norine ? 
PRD_000180 1 2 67328 "Streptomyces michiganensis"  SigmaAldrich ?        ?      ? 
PRD_000180 1 3 67386 "Streptomyces yokosukanensis" SigmaAldrich ?        ?      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000180 2012-02-08 RCSB "Create molecule"    
PRD_000180 2012-07-09 PDBE "Other modification" 
PRD_000180 2012-12-04 RCSB "Modify sequence"    
PRD_000180 2012-12-12 RCSB "Initial release"    
PRD_000180 2013-06-03 RCSB "Other modification" 
PRD_000180 2020-07-29 RCSB "Other modification" 
PRD_000180 2023-09-20 PDBE "Modify audit"       
PRD_000180 2023-11-03 PDBE "Other modification" 
PRD_000180 2025-06-16 RCSB "Other modification" 
# 
data_PRD_000183
# 
_pdbx_reference_molecule.prd_id                       PRD_000183 
_pdbx_reference_molecule.name                         "Microcin C7" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H49 N12 O10 S" 
_pdbx_reference_molecule.formula_weight               745.828 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3h5r 
# 
_pdbx_reference_entity_list.prd_id          PRD_000183 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "MICROCIN C7" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000183 1 1 C MET 1 N ARG 2 sing 1 ? ? ? 
PRD_000183 1 2 C ARG 2 N THR 3 sing 1 ? ? ? 
PRD_000183 1 3 C THR 3 N GLY 4 sing 1 ? ? ? 
PRD_000183 1 4 C GLY 4 N ASN 5 sing 1 ? ? ? 
PRD_000183 1 5 C ASN 5 N ALA 6 sing 1 ? ? ? 
PRD_000183 1 6 C ALA 6 N SNN 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000183 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         Q47505 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000183 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000183 1 1 MET MET N Y 
PRD_000183 1 2 ARG ARG N Y 
PRD_000183 1 3 THR THR N Y 
PRD_000183 1 4 GLY GLY N Y 
PRD_000183 1 5 ASN ASN N Y 
PRD_000183 1 6 ALA ALA N Y 
PRD_000183 1 7 SNN ASN N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000183 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 562 
_pdbx_reference_entity_src_nat.organism_scientific   "Escherichia coli" 
_pdbx_reference_entity_src_nat.source                UniProt 
_pdbx_reference_entity_src_nat.db_code               Q47505 
_pdbx_reference_entity_src_nat.db_name               UniProtKB 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000183 2012-02-03 RCSB "Create molecule"    
PRD_000183 2012-11-28 RCSB "Modify type"        
PRD_000183 2012-11-28 RCSB "Modify class"       
PRD_000183 2012-12-12 RCSB "Initial release"    
PRD_000183 2013-06-03 RCSB "Other modification" 
PRD_000183 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000184
# 
_pdbx_reference_molecule.prd_id                       PRD_000184 
_pdbx_reference_molecule.name                         "Microcin J25" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C101 H140 N23 O27" 
_pdbx_reference_molecule.formula_weight               2108.330 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1q71 
# 
_pdbx_reference_entity_list.prd_id          PRD_000184 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "THREADED SIDECHAIN-TO-BACKBONE RING STRUCTURE" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000184 1 1  N GLY 1  CD GLU 8  sing 1 ? ? ? 
PRD_000184 1 2  C GLY 1  N  GLY 2  sing 1 ? ? ? 
PRD_000184 1 3  C GLY 2  N  ALA 3  sing 1 ? ? ? 
PRD_000184 1 4  C ALA 3  N  GLY 4  sing 1 ? ? ? 
PRD_000184 1 5  C GLY 4  N  HIS 5  sing 1 ? ? ? 
PRD_000184 1 6  C HIS 5  N  VAL 6  sing 1 ? ? ? 
PRD_000184 1 7  C VAL 6  N  PRO 7  sing 1 ? ? ? 
PRD_000184 1 8  C PRO 7  N  GLU 8  sing 1 ? ? ? 
PRD_000184 1 9  C GLU 8  N  TYR 9  sing 1 ? ? ? 
PRD_000184 1 10 C TYR 9  N  PHE 10 sing 1 ? ? ? 
PRD_000184 1 11 C PHE 10 N  VAL 11 sing 1 ? ? ? 
PRD_000184 1 12 C VAL 11 N  GLY 12 sing 1 ? ? ? 
PRD_000184 1 13 C GLY 12 N  ILE 13 sing 1 ? ? ? 
PRD_000184 1 14 C ILE 13 N  GLY 14 sing 1 ? ? ? 
PRD_000184 1 15 C GLY 14 N  THR 15 sing 1 ? ? ? 
PRD_000184 1 16 C THR 15 N  PRO 16 sing 1 ? ? ? 
PRD_000184 1 17 C PRO 16 N  ILE 17 sing 1 ? ? ? 
PRD_000184 1 18 C ILE 17 N  SER 18 sing 1 ? ? ? 
PRD_000184 1 19 C SER 18 N  PHE 19 sing 1 ? ? ? 
PRD_000184 1 20 C PHE 19 N  TYR 20 sing 1 ? ? ? 
PRD_000184 1 21 C TYR 20 N  GLY 21 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000184 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         Q9X2V7 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000184 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000184 1 1  GLY GLY N Y 
PRD_000184 1 2  GLY GLY N Y 
PRD_000184 1 3  ALA ALA N Y 
PRD_000184 1 4  GLY GLY N Y 
PRD_000184 1 5  HIS HIS N Y 
PRD_000184 1 6  VAL VAL N Y 
PRD_000184 1 7  PRO PRO N Y 
PRD_000184 1 8  GLU GLU N Y 
PRD_000184 1 9  TYR TYR N Y 
PRD_000184 1 10 PHE PHE N Y 
PRD_000184 1 11 VAL VAL N Y 
PRD_000184 1 12 GLY GLY N Y 
PRD_000184 1 13 ILE ILE N Y 
PRD_000184 1 14 GLY GLY N Y 
PRD_000184 1 15 THR THR N Y 
PRD_000184 1 16 PRO PRO N Y 
PRD_000184 1 17 ILE ILE N Y 
PRD_000184 1 18 SER SER N Y 
PRD_000184 1 19 PHE PHE N Y 
PRD_000184 1 20 TYR TYR N Y 
PRD_000184 1 21 GLY GLY N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000184 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 562 
_pdbx_reference_entity_src_nat.organism_scientific   "Escherichia coli" 
_pdbx_reference_entity_src_nat.source                UniProt 
_pdbx_reference_entity_src_nat.db_code               Q9X2V7 
_pdbx_reference_entity_src_nat.db_name               UniProtKB 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000184 2012-02-03 RCSB "Create molecule"    
PRD_000184 2012-11-28 RCSB "Modify type"        
PRD_000184 2012-11-28 RCSB "Modify class"       
PRD_000184 2012-12-12 RCSB "Initial release"    
PRD_000184 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000185
# 
_pdbx_reference_molecule.prd_id                       PRD_000185 
_pdbx_reference_molecule.name                         "SURFACTIN nC15" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Lipopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C52 H91 N7 O13" 
_pdbx_reference_molecule.formula_weight               1022.318 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2npv 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000185 1 1 polymer     "CYCLIC LIPOPETIDE BIOSURFACTANT" 
PRD_000185 2 2 non-polymer "BETA-AMINO FATTY ACID"           
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000185 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "(R)-3-HYDROXYTETRADECANAL" 
_pdbx_reference_entity_nonpoly.chem_comp_id    BFC 
_pdbx_reference_entity_nonpoly.details         ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000185 1 PN 1 1 GLU N 2 ? BFC C  sing 1 2 ? ? ? 
PRD_000185 2 PN 1 7 LEU C 2 ? BFC OB sing 1 2 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000185 1 1 C GLU 1 N LEU 2 sing 1 ? ? ? 
PRD_000185 1 2 C LEU 2 N DLE 3 sing 1 ? ? ? 
PRD_000185 1 3 C DLE 3 N VAL 4 sing 1 ? ? ? 
PRD_000185 1 4 C VAL 4 N ASP 5 sing 1 ? ? ? 
PRD_000185 1 5 C ASP 5 N DLE 6 sing 1 ? ? ? 
PRD_000185 1 6 C DLE 6 N LEU 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000185 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000185 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000185 1 1 GLU GLU N Y 
PRD_000185 1 2 LEU LEU N Y 
PRD_000185 1 3 DLE LEU N Y 
PRD_000185 1 4 VAL VAL N Y 
PRD_000185 1 5 ASP ASP N Y 
PRD_000185 1 6 DLE LEU N Y 
PRD_000185 1 7 LEU LEU N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000185 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1423 
_pdbx_reference_entity_src_nat.organism_scientific   "Bacillus subtilis" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00855 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000185 2012-02-03 RCSB "Create molecule"    
PRD_000185 2012-07-09 PDBE "Other modification" 
PRD_000185 2020-08-12 RCSB "Initial release"    
PRD_000185 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000186
# 
_pdbx_reference_molecule.prd_id                       PRD_000186 
_pdbx_reference_molecule.name                         "EFRAPEPTIN C" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antimicrobial 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C80 H138 N18 O16" 
_pdbx_reference_molecule.formula_weight               1608.063 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;EFRAPEPTIN C IS A MEMBER OF CLOSELY RELATED LINEAR
AMPHIPHILIC PEPTIDE ANTIBIOTICS. MEMBERS OF THIS FAMILY
HAVE AN ACETYLATED PIPECOLIC AT THE N-TERM AND AT THE C-TERM
A MODIFIED LEUCINE WITH AN ATTACHED HETEROCYCLIC RING STRUCTURE.
HERE, EFRAPEPTIN C IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;EFRAPEPTIN C IS A LINEAR PEPTIDE, WITH ACETYLATED
(ACE) PIPECOLIC ACID (YCP) AT THE N-TERMINUS AND
A MODIFIED LEUCINE AT THE C-TERM (TLX)
;
_pdbx_reference_molecule.representative_PDB_id_code   1efr 
# 
_pdbx_reference_entity_list.prd_id          PRD_000186 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 0 TO 16" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000186 1 1  C ACE 1  N    YCP 2  sing 1 ? ? ? 
PRD_000186 1 2  C YCP 2  N    AIB 3  sing 1 ? ? ? 
PRD_000186 1 3  C AIB 3  N    YCP 4  sing 1 ? ? ? 
PRD_000186 1 4  C YCP 4  N    AIB 5  sing 1 ? ? ? 
PRD_000186 1 5  C AIB 5  N    AIB 6  sing 1 ? ? ? 
PRD_000186 1 6  C AIB 6  N    LEU 7  sing 1 ? ? ? 
PRD_000186 1 7  C LEU 7  N    BAL 8  sing 1 ? ? ? 
PRD_000186 1 8  C BAL 8  N    GLY 9  sing 1 ? ? ? 
PRD_000186 1 9  C GLY 9  N    AIB 10 sing 1 ? ? ? 
PRD_000186 1 10 C AIB 10 N    AIB 11 sing 1 ? ? ? 
PRD_000186 1 11 C AIB 11 N    YCP 12 sing 1 ? ? ? 
PRD_000186 1 12 C YCP 12 N    AIB 13 sing 1 ? ? ? 
PRD_000186 1 13 C AIB 13 N    GLY 14 sing 1 ? ? ? 
PRD_000186 1 14 C GLY 14 N    LEU 15 sing 1 ? ? ? 
PRD_000186 1 15 C LEU 15 N    AIB 16 sing 1 ? ? ? 
PRD_000186 1 16 C AIB 16 "N'" TLX 17 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000186 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00XXX 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000186 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000186 1 1  ACE ?   N Y 
PRD_000186 1 2  YCP ?   N Y 
PRD_000186 1 3  AIB ALA N Y 
PRD_000186 1 4  YCP ?   N Y 
PRD_000186 1 5  AIB ALA N Y 
PRD_000186 1 6  AIB ALA N Y 
PRD_000186 1 7  LEU LEU N Y 
PRD_000186 1 8  BAL ALA N Y 
PRD_000186 1 9  GLY GLY N Y 
PRD_000186 1 10 AIB ALA N Y 
PRD_000186 1 11 AIB ALA N Y 
PRD_000186 1 12 YCP ?   N Y 
PRD_000186 1 13 AIB ALA N Y 
PRD_000186 1 14 GLY GLY N Y 
PRD_000186 1 15 LEU LEU N Y 
PRD_000186 1 16 AIB ALA N Y 
PRD_000186 1 17 TLX ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000186 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 29910 
_pdbx_reference_entity_src_nat.organism_scientific   "Tolypocladium niveum" 
_pdbx_reference_entity_src_nat.source                NADB 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000186 2012-02-03 RCSB "Create molecule"    
PRD_000186 2012-07-09 PDBE "Other modification" 
PRD_000186 2012-12-12 RCSB "Initial release"    
PRD_000186 2013-06-03 RCSB "Other modification" 
PRD_000186 2017-05-04 RCSB "Other modification" 
PRD_000186 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000187
# 
_pdbx_reference_molecule.prd_id                       PRD_000187 
_pdbx_reference_molecule.name                         "SCYPTOLIN A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C45 H71 Cl N8 O14" 
_pdbx_reference_molecule.formula_weight               983.543 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1okx 
# 
_pdbx_reference_entity_list.prd_id          PRD_000187 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "ELASTASE INHIBITOR SCYPTOLIN A" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000187 1 1 C4  1BO 1 N ALA 2 sing 1 ? ? ? 
PRD_000187 1 2 C   ALA 2 N THR 3 sing 1 ? ? ? 
PRD_000187 1 3 C   THR 3 N THR 4 sing 1 ? ? ? 
PRD_000187 1 4 C   THR 4 N LEU 5 sing 1 ? ? ? 
PRD_000187 1 5 OG1 THR 4 C VAL 8 sing 1 ? ? ? 
PRD_000187 1 6 C   LEU 5 N SUJ 6 sing 1 ? ? ? 
PRD_000187 1 7 C   SUJ 6 N CNT 7 sing 1 ? ? ? 
PRD_000187 1 8 C   CNT 7 N VAL 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000187 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000187 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000187 1 1 1BO ?   N Y 
PRD_000187 1 2 ALA ALA N Y 
PRD_000187 1 3 THR THR N Y 
PRD_000187 1 4 THR THR N Y 
PRD_000187 1 5 LEU LEU N Y 
PRD_000187 1 6 SUJ ?   N Y 
PRD_000187 1 7 CNT TYR N Y 
PRD_000187 1 8 VAL VAL N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000187 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 34078 
_pdbx_reference_entity_src_nat.organism_scientific   "scytonema hofmanni PCC7110" 
_pdbx_reference_entity_src_nat.source                PubMed 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000187 2012-02-08 RCSB "Create molecule"    
PRD_000187 2012-07-09 PDBE "Other modification" 
PRD_000187 2012-12-12 RCSB "Initial release"    
PRD_000187 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000193
# 
_pdbx_reference_molecule.prd_id                       PRD_000193 
_pdbx_reference_molecule.name                         "Capreomycin IA" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H44 N14 O8" 
_pdbx_reference_molecule.formula_weight               668.706 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3knl 
# 
_pdbx_reference_entity_list.prd_id          PRD_000193 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         Capreomycin 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000193 1 1 C KBE 1 NG DPP 2 sing 1 ? ? ? 
PRD_000193 1 2 C DPP 2 N  UAL 3 sing 1 ? ? ? 
PRD_000193 1 3 N DPP 2 C  SER 6 sing 1 ? ? ? 
PRD_000193 1 4 C UAL 3 N  MYN 4 sing 1 ? ? ? 
PRD_000193 1 5 C MYN 4 NG DPP 5 sing 1 ? ? ? 
PRD_000193 1 6 C DPP 5 N  SER 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000193 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00638 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000193 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000193 1 1 KBE ?   N Y 
PRD_000193 1 2 DPP ?   N Y 
PRD_000193 1 3 UAL ?   N Y 
PRD_000193 1 4 MYN ?   N Y 
PRD_000193 1 5 DPP ?   N Y 
PRD_000193 1 6 SER SER N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000193 1 1 67351 "streptomyces puniceus"  ?       NOR00638 Norine ? 
PRD_000193 1 2 66854 "Streptomyces capreolus" PubChem ?        ?      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000193 2012-02-08 RCSB "Create molecule"    
PRD_000193 2012-07-09 PDBE "Other modification" 
PRD_000193 2012-12-12 RCSB "Initial release"    
PRD_000193 2013-06-03 RCSB "Other modification" 
PRD_000193 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000194
# 
_pdbx_reference_molecule.prd_id                       PRD_000194 
_pdbx_reference_molecule.name                         ACTAGARDINE 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Lantibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C81 H124 N20 O23 S4" 
_pdbx_reference_molecule.formula_weight               1874.231 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  
;ACTAGARDINE IS A TRICYCLIC PEPTIDE. POST TRANSLATIONAL MATURATION
OF LANTIBIOTICS INVOLVES THE ENZYMIC CONVERSION OF THR AND SER INTO
DEHYDRATED AMINO ACIDS AND THE FORMATION OF THIOETHER BONDS WITH
CYSTEINE. THE THIOETHER BONDS WITH CYSTEINE RESULT IN THREE
RING STRUCTURES. THIS IS FOLLOWED BY MEMBRANE TRANSLOCATION AND
CLEAVAGE OF THE MODIFIED PRECURSOR.
;
_pdbx_reference_molecule.representative_PDB_id_code   1aj1 
# 
_pdbx_reference_entity_list.prd_id          PRD_000194 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 19" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000194 1 1  C  DAL 1  N  SER 2  sing 1 ? ? ? 
PRD_000194 1 2  CB DAL 1  SG CYS 6  sing 1 ? ? ? 
PRD_000194 1 3  C  SER 2  N  GLY 3  sing 1 ? ? ? 
PRD_000194 1 4  C  GLY 3  N  TRP 4  sing 1 ? ? ? 
PRD_000194 1 5  C  TRP 4  N  VAL 5  sing 1 ? ? ? 
PRD_000194 1 6  C  VAL 5  N  CYS 6  sing 1 ? ? ? 
PRD_000194 1 7  C  CYS 6  N  DBB 7  sing 1 ? ? ? 
PRD_000194 1 8  C  DBB 7  N  LEU 8  sing 1 ? ? ? 
PRD_000194 1 9  CB DBB 7  SG CYS 12 sing 1 ? ? ? 
PRD_000194 1 10 C  LEU 8  N  DBB 9  sing 1 ? ? ? 
PRD_000194 1 11 CB DBB 9  SG CYS 17 sing 1 ? ? ? 
PRD_000194 1 12 C  DBB 9  N  ILE 10 sing 1 ? ? ? 
PRD_000194 1 13 C  ILE 10 N  GLU 11 sing 1 ? ? ? 
PRD_000194 1 14 C  GLU 11 N  CYS 12 sing 1 ? ? ? 
PRD_000194 1 15 C  CYS 12 N  GLY 13 sing 1 ? ? ? 
PRD_000194 1 16 C  GLY 13 N  DBB 14 sing 1 ? ? ? 
PRD_000194 1 17 CB DBB 14 SG CYS 19 sing 1 ? ? ? 
PRD_000194 1 18 C  DBB 14 N  VAL 15 sing 1 ? ? ? 
PRD_000194 1 19 C  VAL 15 N  ILE 16 sing 1 ? ? ? 
PRD_000194 1 20 C  ILE 16 N  CYS 17 sing 1 ? ? ? 
PRD_000194 1 21 C  CYS 17 N  ALA 18 sing 1 ? ? ? 
PRD_000194 1 22 C  ALA 18 N  CYS 19 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000194 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         P56650 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000194 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000194 1 1  DAL SER N Y 
PRD_000194 1 2  SER SER N Y 
PRD_000194 1 3  GLY GLY N Y 
PRD_000194 1 4  TRP TRP N Y 
PRD_000194 1 5  VAL VAL N Y 
PRD_000194 1 6  CYS CYS N Y 
PRD_000194 1 7  DBB THR N Y 
PRD_000194 1 8  LEU LEU N Y 
PRD_000194 1 9  DBB THR N Y 
PRD_000194 1 10 ILE ILE N Y 
PRD_000194 1 11 GLU GLU N Y 
PRD_000194 1 12 CYS CYS N Y 
PRD_000194 1 13 GLY GLY N Y 
PRD_000194 1 14 DBB THR N Y 
PRD_000194 1 15 VAL VAL N Y 
PRD_000194 1 16 ILE ILE N Y 
PRD_000194 1 17 CYS CYS N Y 
PRD_000194 1 18 ALA ALA N Y 
PRD_000194 1 19 CYS CYS N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000194 1 1 69484 "Actinoplanes liguriae"      UniProt P56650 UniProtKB ? 
PRD_000194 1 2 69485 "Actinoplanes garbadinensis" UniProt P56650 UniProtKB ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000194 2012-02-03 RCSB "Create molecule"    
PRD_000194 2012-07-09 PDBE "Other modification" 
PRD_000194 2012-07-31 RCSB "Other modification" 
PRD_000194 2012-12-12 RCSB "Initial release"    
PRD_000194 2013-06-03 RCSB "Other modification" 
PRD_000194 2017-05-04 RCSB "Other modification" 
PRD_000194 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000195
# 
_pdbx_reference_molecule.prd_id                       PRD_000195 
_pdbx_reference_molecule.name                         Cinnamycin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Lantibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C89 H127 N25 O25 S3" 
_pdbx_reference_molecule.formula_weight               2043.308 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;CINNAMYCIN IS A GLOBULAR TYPE B LANTIBIOTIC. THE LANTIBIOTICS
ARE CHARACTERIZED BY THIOESTER AMINO ACIDS LANTHIONINE
AND/OR METHYLLANTHIONINE.
HERE, CINNAMYCIN IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;CINNAMYCIN IS A TETRACYCLIC PEPTIDE.  POST TRANSLATIONAL MATURATION
OF LANTIBIOTICS INVOLVES THE ENZYMIC CONVERSION OF THR AND SER INTO
DEHYDRATED AMINO ACIDS AND THE FORMATION OF THIOETHER BONDS WITH
CYSTEINE. THE 14-19 BETA-METHYLLANTHIONINE THIOETHER BOND IS OXIDIZED
TO A SULFOXIDE.  THE THIOETHER BONDS WITH CYSTEINE RESULT IN THREE
RING STRUCTURES, CROSSLINK BETWEEN SER AND LYS RESULT IN THE FOURTH
RING.  THIS IS FOLLOWED BY MEMBRANE TRANSLOCATION AND CLEAVAGE OF THE
MODIFIED PRECURSOR.
;
_pdbx_reference_molecule.representative_PDB_id_code   2dde 
# 
_pdbx_reference_entity_list.prd_id          PRD_000195 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 19" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000195 1 1  SG CYS 1  CB DBB 18 sing 1 ? ? ? 
PRD_000195 1 2  C  CYS 1  N  ARG 2  sing 1 ? ? ? 
PRD_000195 1 3  C  ARG 2  N  GLN 3  sing 1 ? ? ? 
PRD_000195 1 4  C  GLN 3  N  DAL 4  sing 1 ? ? ? 
PRD_000195 1 5  CB DAL 4  SG CYS 14 sing 1 ? ? ? 
PRD_000195 1 6  C  DAL 4  N  CYS 5  sing 1 ? ? ? 
PRD_000195 1 7  SG CYS 5  CB DBB 11 sing 1 ? ? ? 
PRD_000195 1 8  C  CYS 5  N  SER 6  sing 1 ? ? ? 
PRD_000195 1 9  CB SER 6  NZ LYS 19 sing 1 ? ? ? 
PRD_000195 1 10 C  SER 6  N  PHE 7  sing 1 ? ? ? 
PRD_000195 1 11 C  PHE 7  N  GLY 8  sing 1 ? ? ? 
PRD_000195 1 12 C  GLY 8  N  PRO 9  sing 1 ? ? ? 
PRD_000195 1 13 C  PRO 9  N  PHE 10 sing 1 ? ? ? 
PRD_000195 1 14 C  PHE 10 N  DBB 11 sing 1 ? ? ? 
PRD_000195 1 15 C  DBB 11 N  PHE 12 sing 1 ? ? ? 
PRD_000195 1 16 C  PHE 12 N  VAL 13 sing 1 ? ? ? 
PRD_000195 1 17 C  VAL 13 N  CYS 14 sing 1 ? ? ? 
PRD_000195 1 18 C  CYS 14 N  BH2 15 sing 1 ? ? ? 
PRD_000195 1 19 C  BH2 15 N  GLY 16 sing 1 ? ? ? 
PRD_000195 1 20 C  GLY 16 N  ASN 17 sing 1 ? ? ? 
PRD_000195 1 21 C  ASN 17 N  DBB 18 sing 1 ? ? ? 
PRD_000195 1 22 C  DBB 18 N  LYS 19 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000195 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         P29827 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000195 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000195 1 1  CYS CYS N Y 
PRD_000195 1 2  ARG ARG N Y 
PRD_000195 1 3  GLN GLN N Y 
PRD_000195 1 4  DAL SER N Y 
PRD_000195 1 5  CYS CYS N Y 
PRD_000195 1 6  SER SER N Y 
PRD_000195 1 7  PHE PHE N Y 
PRD_000195 1 8  GLY GLY N Y 
PRD_000195 1 9  PRO PRO N Y 
PRD_000195 1 10 PHE PHE N Y 
PRD_000195 1 11 DBB THR N Y 
PRD_000195 1 12 PHE PHE N Y 
PRD_000195 1 13 VAL VAL N Y 
PRD_000195 1 14 CYS CYS N Y 
PRD_000195 1 15 BH2 ASP N Y 
PRD_000195 1 16 GLY GLY N Y 
PRD_000195 1 17 ASN ASN N Y 
PRD_000195 1 18 DBB THR N Y 
PRD_000195 1 19 LYS LYS N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000195 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 68215 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptoverticillium griseoverticillatum" 
_pdbx_reference_entity_src_nat.source                UniProt 
_pdbx_reference_entity_src_nat.db_code               P29827 
_pdbx_reference_entity_src_nat.db_name               UniProtKB 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000195 2012-02-03 RCSB "Create molecule"    
PRD_000195 2012-07-09 PDBE "Other modification" 
PRD_000195 2012-07-31 RCSB "Other modification" 
PRD_000195 2012-12-12 RCSB "Initial release"    
PRD_000195 2013-06-03 RCSB "Other modification" 
PRD_000195 2017-05-04 RCSB "Other modification" 
PRD_000195 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000196
# 
_pdbx_reference_molecule.prd_id                       PRD_000196 
_pdbx_reference_molecule.name                         "EPILANCIN 15X" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Lantibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C145 H241 N41 O33 S3" 
_pdbx_reference_molecule.formula_weight               3182.915 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;EPILANCIN 15X IS A LINEAR TYPE A LANTIBIOTIC, A CLASS OF ANTIBIOTICS
CHARACTERIZED BY THIOESTER AMINO ACIDS LANTHIONINE AND/OR
METHYLLANTHIONINE.
HERE, EPILANCIN 15X IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;Epilancin 15X is a tricyclic peptide. thioether bonds with cysteine
result in three rings along the peptide chain.  Post Translational
maturation of lantibiotics involves the enzymic conversion of Thr and
Ser into dehydrated amino acids and the formation of thioether bonds
with cysteine.  This is followed by membrane translocation and
cleavage of the modified precursor.
;
_pdbx_reference_molecule.representative_PDB_id_code   1w9n 
# 
_pdbx_reference_entity_list.prd_id          PRD_000196 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 31" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000196 1 1  C  2OP 1  N  ALA 2  sing 1 ? ? ? 
PRD_000196 1 2  C  ALA 2  N  DHA 3  sing 1 ? ? ? 
PRD_000196 1 3  C  DHA 3  N  ILE 4  sing 1 ? ? ? 
PRD_000196 1 4  C  ILE 4  N  VAL 5  sing 1 ? ? ? 
PRD_000196 1 5  C  VAL 5  N  LYS 6  sing 1 ? ? ? 
PRD_000196 1 6  C  LYS 6  N  DBU 7  sing 1 ? ? ? 
PRD_000196 1 7  C  DBU 7  N  DBU 8  sing 1 ? ? ? 
PRD_000196 1 8  C  DBU 8  N  ILE 9  sing 1 ? ? ? 
PRD_000196 1 9  C  ILE 9  N  LYS 10 sing 1 ? ? ? 
PRD_000196 1 10 C  LYS 10 N  ALA 11 sing 1 ? ? ? 
PRD_000196 1 11 C  ALA 11 N  DAL 12 sing 1 ? ? ? 
PRD_000196 1 12 CB DAL 12 SG CYS 16 sing 1 ? ? ? 
PRD_000196 1 13 C  DAL 12 N  LYS 13 sing 1 ? ? ? 
PRD_000196 1 14 C  LYS 13 N  LYS 14 sing 1 ? ? ? 
PRD_000196 1 15 C  LYS 14 N  LEU 15 sing 1 ? ? ? 
PRD_000196 1 16 C  LEU 15 N  CYS 16 sing 1 ? ? ? 
PRD_000196 1 17 C  CYS 16 N  ARG 17 sing 1 ? ? ? 
PRD_000196 1 18 C  ARG 17 N  GLY 18 sing 1 ? ? ? 
PRD_000196 1 19 C  GLY 18 N  PHE 19 sing 1 ? ? ? 
PRD_000196 1 20 C  PHE 19 N  DBB 20 sing 1 ? ? ? 
PRD_000196 1 21 CB DBB 20 SG CYS 23 sing 1 ? ? ? 
PRD_000196 1 22 C  DBB 20 N  LEU 21 sing 1 ? ? ? 
PRD_000196 1 23 C  LEU 21 N  DBB 22 sing 1 ? ? ? 
PRD_000196 1 24 CB DBB 22 SG CYS 25 sing 1 ? ? ? 
PRD_000196 1 25 C  DBB 22 N  CYS 23 sing 1 ? ? ? 
PRD_000196 1 26 C  CYS 23 N  GLY 24 sing 1 ? ? ? 
PRD_000196 1 27 C  GLY 24 N  CYS 25 sing 1 ? ? ? 
PRD_000196 1 28 C  CYS 25 N  HIS 26 sing 1 ? ? ? 
PRD_000196 1 29 C  HIS 26 N  PHE 27 sing 1 ? ? ? 
PRD_000196 1 30 C  PHE 27 N  DBU 28 sing 1 ? ? ? 
PRD_000196 1 31 C  DBU 28 N  GLY 29 sing 1 ? ? ? 
PRD_000196 1 32 C  GLY 29 N  LYS 30 sing 1 ? ? ? 
PRD_000196 1 33 C  LYS 30 N  LYS 31 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000196 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         P86047 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000196 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000196 1 1  2OP SER N Y 
PRD_000196 1 2  ALA ALA N Y 
PRD_000196 1 3  DHA SER N Y 
PRD_000196 1 4  ILE ILE N Y 
PRD_000196 1 5  VAL VAL N Y 
PRD_000196 1 6  LYS LYS N Y 
PRD_000196 1 7  DBU THR N Y 
PRD_000196 1 8  DBU THR N Y 
PRD_000196 1 9  ILE ILE N Y 
PRD_000196 1 10 LYS LYS N Y 
PRD_000196 1 11 ALA ALA N Y 
PRD_000196 1 12 DAL SER N Y 
PRD_000196 1 13 LYS LYS N Y 
PRD_000196 1 14 LYS LYS N Y 
PRD_000196 1 15 LEU LEU N Y 
PRD_000196 1 16 CYS CYS N Y 
PRD_000196 1 17 ARG ARG N Y 
PRD_000196 1 18 GLY GLY N Y 
PRD_000196 1 19 PHE PHE N Y 
PRD_000196 1 20 DBB THR N Y 
PRD_000196 1 21 LEU LEU N Y 
PRD_000196 1 22 DBB THR N Y 
PRD_000196 1 23 CYS CYS N Y 
PRD_000196 1 24 GLY GLY N Y 
PRD_000196 1 25 CYS CYS N Y 
PRD_000196 1 26 HIS HIS N Y 
PRD_000196 1 27 PHE PHE N Y 
PRD_000196 1 28 DBU THR N Y 
PRD_000196 1 29 GLY GLY N Y 
PRD_000196 1 30 LYS LYS N Y 
PRD_000196 1 31 LYS LYS N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000196 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1282 
_pdbx_reference_entity_src_nat.organism_scientific   "staphylococcus epidermidis 15X150" 
_pdbx_reference_entity_src_nat.source                UniProt 
_pdbx_reference_entity_src_nat.db_code               P86047 
_pdbx_reference_entity_src_nat.db_name               UniProtKB 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000196 2012-02-03 RCSB "Create molecule"    
PRD_000196 2012-07-09 PDBE "Other modification" 
PRD_000196 2012-12-12 RCSB "Initial release"    
PRD_000196 2013-06-03 RCSB "Other modification" 
PRD_000196 2017-05-04 RCSB "Other modification" 
PRD_000196 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000197
# 
_pdbx_reference_molecule.prd_id                       PRD_000197 
_pdbx_reference_molecule.name                         "ALPHA LICHENICIDIN PREPEPTIDE" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C142 H226 N36 O41 S5" 
_pdbx_reference_molecule.formula_weight               3253.855 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;LICHENICIDIN VK21 A1 IS A LANTIBIOTIC. THE LANTIBIOTICS ARE
ARE CHARACTERIZED BY THIOESTER AMINO ACIDS LANTHIONINE
AND/OR METHYLLANTHIONINE.
HERE, LICHENICIDIN VK21 IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;LICHENICIDIN VK21 IS A TETRACYCLIC PEPTIDE. POST TRANSLATIONAL
MATURATION OF LANTIBIOTICS INVOLVES THE ENZYMIC CONVERSION OF THR, AND
SER INTO DEHYDRATED AMINO ACIDS AND THE FORMATION OF THIOETHER BONDS
WITH CYSTEINE. THIOETHER BONDS WITH CYSTEINE RESULT IN FOUR RINGS.
THIS IS FOLLOWED BY MEMBRANE TRANSLOCATION AND CLEAVAGE OF THE
MODIFIED PRECURSOR.
;
_pdbx_reference_molecule.representative_PDB_id_code   2ktn 
# 
_pdbx_reference_entity_list.prd_id          PRD_000197 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 32" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000197 1 1  C  2KT 1  N  ILE 2  sing 1 ? ? ? 
PRD_000197 1 2  C  ILE 2  N  DBB 3  sing 1 ? ? ? 
PRD_000197 1 3  C  DBB 3  N  LEU 4  sing 1 ? ? ? 
PRD_000197 1 4  CB DBB 3  SG CYS 7  sing 1 ? ? ? 
PRD_000197 1 5  C  LEU 4  N  DHA 5  sing 1 ? ? ? 
PRD_000197 1 6  C  DHA 5  N  DBU 6  sing 1 ? ? ? 
PRD_000197 1 7  C  DBU 6  N  CYS 7  sing 1 ? ? ? 
PRD_000197 1 8  C  CYS 7  N  ALA 8  sing 1 ? ? ? 
PRD_000197 1 9  C  ALA 8  N  ILE 9  sing 1 ? ? ? 
PRD_000197 1 10 C  ILE 9  N  LEU 10 sing 1 ? ? ? 
PRD_000197 1 11 C  LEU 10 N  DAL 11 sing 1 ? ? ? 
PRD_000197 1 12 C  DAL 11 N  LYS 12 sing 1 ? ? ? 
PRD_000197 1 13 CB DAL 11 SG CYS 21 sing 1 ? ? ? 
PRD_000197 1 14 C  LYS 12 N  PRO 13 sing 1 ? ? ? 
PRD_000197 1 15 C  PRO 13 N  LEU 14 sing 1 ? ? ? 
PRD_000197 1 16 C  LEU 14 N  GLY 15 sing 1 ? ? ? 
PRD_000197 1 17 C  GLY 15 N  ASN 16 sing 1 ? ? ? 
PRD_000197 1 18 C  ASN 16 N  ASN 17 sing 1 ? ? ? 
PRD_000197 1 19 C  ASN 17 N  GLY 18 sing 1 ? ? ? 
PRD_000197 1 20 C  GLY 18 N  TYR 19 sing 1 ? ? ? 
PRD_000197 1 21 C  TYR 19 N  LEU 20 sing 1 ? ? ? 
PRD_000197 1 22 C  LEU 20 N  CYS 21 sing 1 ? ? ? 
PRD_000197 1 23 C  CYS 21 N  DBB 22 sing 1 ? ? ? 
PRD_000197 1 24 CB DBB 22 SG CYS 27 sing 1 ? ? ? 
PRD_000197 1 25 C  DBB 22 N  VAL 23 sing 1 ? ? ? 
PRD_000197 1 26 C  VAL 23 N  DBB 24 sing 1 ? ? ? 
PRD_000197 1 27 CB DBB 24 SG CYS 31 sing 1 ? ? ? 
PRD_000197 1 28 C  DBB 24 N  LYS 25 sing 1 ? ? ? 
PRD_000197 1 29 C  LYS 25 N  GLU 26 sing 1 ? ? ? 
PRD_000197 1 30 C  GLU 26 N  CYS 27 sing 1 ? ? ? 
PRD_000197 1 31 C  CYS 27 N  MET 28 sing 1 ? ? ? 
PRD_000197 1 32 C  MET 28 N  PRO 29 sing 1 ? ? ? 
PRD_000197 1 33 C  PRO 29 N  SER 30 sing 1 ? ? ? 
PRD_000197 1 34 C  SER 30 N  CYS 31 sing 1 ? ? ? 
PRD_000197 1 35 C  CYS 31 N  ASN 32 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000197 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         P86475 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000197 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000197 1 1  2KT THR N Y 
PRD_000197 1 2  ILE ILE N Y 
PRD_000197 1 3  DBB THR N Y 
PRD_000197 1 4  LEU LEU N Y 
PRD_000197 1 5  DHA SER N Y 
PRD_000197 1 6  DBU THR N Y 
PRD_000197 1 7  CYS CYS N Y 
PRD_000197 1 8  ALA ALA N Y 
PRD_000197 1 9  ILE ILE N Y 
PRD_000197 1 10 LEU LEU N Y 
PRD_000197 1 11 DAL SER N Y 
PRD_000197 1 12 LYS LYS N Y 
PRD_000197 1 13 PRO PRO N Y 
PRD_000197 1 14 LEU LEU N Y 
PRD_000197 1 15 GLY GLY N Y 
PRD_000197 1 16 ASN ASN N Y 
PRD_000197 1 17 ASN ASN N Y 
PRD_000197 1 18 GLY GLY N Y 
PRD_000197 1 19 TYR TYR N Y 
PRD_000197 1 20 LEU LEU N Y 
PRD_000197 1 21 CYS CYS N Y 
PRD_000197 1 22 DBB THE N Y 
PRD_000197 1 23 VAL VAL N Y 
PRD_000197 1 24 DBB THR N Y 
PRD_000197 1 25 LYS LYS N Y 
PRD_000197 1 26 GLU GLU N Y 
PRD_000197 1 27 CYS CYS N Y 
PRD_000197 1 28 MET MET N Y 
PRD_000197 1 29 PRO PRO N Y 
PRD_000197 1 30 SER SER N Y 
PRD_000197 1 31 CYS CYS N Y 
PRD_000197 1 32 ASN ASN N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000197 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1402 
_pdbx_reference_entity_src_nat.organism_scientific   "bacillus licheniformis VK21" 
_pdbx_reference_entity_src_nat.source                UniProt 
_pdbx_reference_entity_src_nat.db_code               P86475 
_pdbx_reference_entity_src_nat.db_name               UniProtKB 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000197 2012-02-03 RCSB "Create molecule"    
PRD_000197 2012-07-09 PDBE "Other modification" 
PRD_000197 2012-07-31 RCSB "Other modification" 
PRD_000197 2012-12-12 RCSB "Initial release"    
PRD_000197 2013-06-03 RCSB "Other modification" 
PRD_000197 2017-05-04 RCSB "Other modification" 
PRD_000197 2023-09-20 PDBE "Modify audit"       
PRD_000197 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000198
# 
_pdbx_reference_molecule.prd_id                       PRD_000198 
_pdbx_reference_molecule.name                         "BETA LICHENICIDIN PREPEPTIDE" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C133 H200 N36 O37 S4" 
_pdbx_reference_molecule.formula_weight               3023.490 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;LICHENICIDIN VK21 A2 IS A LANTIBIOTIC. THE LANTIBIOTICS ARE
ARE CHARACTERIZED BY THIOESTER AMINO ACIDS LANTHIONINE
AND/OR METHYLLANTHIONINE.
HERE, LICHENICIDIN VK21 IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;LICHENICIDIN VK21 IS A TETRACYCLIC PEPTIDE. POST TRANSLATIONAL
MATURATION OF LANTIBIOTICS INVOLVES THE ENZYMIC CONVERSION OF THR, AND
SER INTO DEHYDRATED AMINO ACIDS AND THE FORMATION OF THIOETHER BONDS
WITH CYSTEINE. THIOETHER BONDS WITH CYSTEINE RESULT IN FOUR RINGS.
THIS IS FOLLOWED BY MEMBRANE TRANSLOCATION AND CLEAVAGE OF THE
MODIFIED PRECURSOR.
;
_pdbx_reference_molecule.representative_PDB_id_code   2kto 
# 
_pdbx_reference_entity_list.prd_id          PRD_000198 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 32" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000198 1 1  C  2KT 1  N  DBU 2  sing 1 ? ? ? 
PRD_000198 1 2  C  DBU 2  N  PRO 3  sing 1 ? ? ? 
PRD_000198 1 3  C  PRO 3  N  ALA 4  sing 1 ? ? ? 
PRD_000198 1 4  C  ALA 4  N  DBU 5  sing 1 ? ? ? 
PRD_000198 1 5  C  DBU 5  N  DBU 6  sing 1 ? ? ? 
PRD_000198 1 6  C  DBU 6  N  DAL 7  sing 1 ? ? ? 
PRD_000198 1 7  C  DAL 7  N  DHA 8  sing 1 ? ? ? 
PRD_000198 1 8  CB DAL 7  SG CYS 11 sing 1 ? ? ? 
PRD_000198 1 9  C  DHA 8  N  TRP 9  sing 1 ? ? ? 
PRD_000198 1 10 C  TRP 9  N  THR 10 sing 1 ? ? ? 
PRD_000198 1 11 C  THR 10 N  CYS 11 sing 1 ? ? ? 
PRD_000198 1 12 C  CYS 11 N  ILE 12 sing 1 ? ? ? 
PRD_000198 1 13 C  ILE 12 N  DBU 13 sing 1 ? ? ? 
PRD_000198 1 14 C  DBU 13 N  ALA 14 sing 1 ? ? ? 
PRD_000198 1 15 C  ALA 14 N  GLY 15 sing 1 ? ? ? 
PRD_000198 1 16 C  GLY 15 N  VAL 16 sing 1 ? ? ? 
PRD_000198 1 17 C  VAL 16 N  DBU 17 sing 1 ? ? ? 
PRD_000198 1 18 C  DBU 17 N  VAL 18 sing 1 ? ? ? 
PRD_000198 1 19 C  VAL 18 N  DAL 19 sing 1 ? ? ? 
PRD_000198 1 20 C  DAL 19 N  ALA 20 sing 1 ? ? ? 
PRD_000198 1 21 CB DAL 19 SG CYS 23 sing 1 ? ? ? 
PRD_000198 1 22 C  ALA 20 N  SER 21 sing 1 ? ? ? 
PRD_000198 1 23 C  SER 21 N  LEU 22 sing 1 ? ? ? 
PRD_000198 1 24 C  LEU 22 N  CYS 23 sing 1 ? ? ? 
PRD_000198 1 25 C  CYS 23 N  PRO 24 sing 1 ? ? ? 
PRD_000198 1 26 C  PRO 24 N  DBB 25 sing 1 ? ? ? 
PRD_000198 1 27 CB DBB 25 SG CYS 28 sing 1 ? ? ? 
PRD_000198 1 28 C  DBB 25 N  DBU 26 sing 1 ? ? ? 
PRD_000198 1 29 C  DBU 26 N  LYS 27 sing 1 ? ? ? 
PRD_000198 1 30 C  LYS 27 N  CYS 28 sing 1 ? ? ? 
PRD_000198 1 31 C  CYS 28 N  DBB 29 sing 1 ? ? ? 
PRD_000198 1 32 CB DBB 29 SG CYS 32 sing 1 ? ? ? 
PRD_000198 1 33 C  DBB 29 N  SER 30 sing 1 ? ? ? 
PRD_000198 1 34 C  SER 30 N  ARG 31 sing 1 ? ? ? 
PRD_000198 1 35 C  ARG 31 N  CYS 32 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000198 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         P86476 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000198 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000198 1 1  2KT THR N Y 
PRD_000198 1 2  DBU THR N Y 
PRD_000198 1 3  PRO PRO N Y 
PRD_000198 1 4  ALA ALA N Y 
PRD_000198 1 5  DBU THR N Y 
PRD_000198 1 6  DBU THR N Y 
PRD_000198 1 7  DAL SER N Y 
PRD_000198 1 8  DHA SER N Y 
PRD_000198 1 9  TRP TRP N Y 
PRD_000198 1 10 THR THR N Y 
PRD_000198 1 11 CYS CYS N Y 
PRD_000198 1 12 ILE ILE N Y 
PRD_000198 1 13 DBU THR N Y 
PRD_000198 1 14 ALA ALA N Y 
PRD_000198 1 15 GLY GLY N Y 
PRD_000198 1 16 VAL VAL N Y 
PRD_000198 1 17 DBU THR N Y 
PRD_000198 1 18 VAL VAL N Y 
PRD_000198 1 19 DAL SER N Y 
PRD_000198 1 20 ALA ALA N Y 
PRD_000198 1 21 SER SER N Y 
PRD_000198 1 22 LEU LEU N Y 
PRD_000198 1 23 CYS CYS N Y 
PRD_000198 1 24 PRO PRO N Y 
PRD_000198 1 25 DBB THR N Y 
PRD_000198 1 26 DBU THR N Y 
PRD_000198 1 27 LYS LYS N Y 
PRD_000198 1 28 CYS CYS N Y 
PRD_000198 1 29 DBB THR N Y 
PRD_000198 1 30 SER SER N Y 
PRD_000198 1 31 ARG ARG N Y 
PRD_000198 1 32 CYS CYS N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000198 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1402 
_pdbx_reference_entity_src_nat.organism_scientific   "bacillus licheniformis VK21" 
_pdbx_reference_entity_src_nat.source                UniProt 
_pdbx_reference_entity_src_nat.db_code               P86476 
_pdbx_reference_entity_src_nat.db_name               UniProtKB 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000198 2012-02-03 RCSB "Create molecule"    
PRD_000198 2012-07-09 PDBE "Other modification" 
PRD_000198 2012-07-31 RCSB "Other modification" 
PRD_000198 2012-12-12 RCSB "Initial release"    
PRD_000198 2013-06-03 RCSB "Other modification" 
PRD_000198 2017-05-04 RCSB "Other modification" 
PRD_000198 2023-09-20 PDBE "Modify audit"       
PRD_000198 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000199
# 
_pdbx_reference_molecule.prd_id                       PRD_000199 
_pdbx_reference_molecule.name                         Mersacidin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C80 H120 N20 O21 S4" 
_pdbx_reference_molecule.formula_weight               1826.190 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;MERSACIDIN IS A GLOBULAR TYPE B LANTIBIOTIC. THE
LANTIBIOTICS ARE CHARACTERIZED BY THIOETHER AMINO ACIDS LANTHIONINE
AND/OR METHYLLANTHIONINE.
HERE, MERSACIDIN IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;MERSACIDIN IS A TETRACYCLIC PEPTIDE. POST TRANSLATIONAL MATURATION
OF LANTIBIOTICS INVOLVES THE ENZYMIC CONVERSION OF THR, AND SER INTO
DEHYDRATED AA AND THE FORMATION OF THIOETHER BONDS WITH CYSTEINE. THE
CARBOXY-TERMINAL BETA-METHYLLANTHIONINE UNDERGOES
DECARBOXYLATION. THIOETHER BONDS WITH CYSTEINE RESULT IN FOUR
RINGS. THIS IS FOLLOWED BY MEMBRANE TRANSLOCATION AND CLEAVAGE OF THE
MODIFIED PRECURSOR.
;
_pdbx_reference_molecule.representative_PDB_id_code   1qow 
# 
_pdbx_reference_entity_list.prd_id          PRD_000199 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 20" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000199 1 1  C  CYS 1  N  DBB 2  sing 1 ? ? ? 
PRD_000199 1 2  SG CYS 1  CB DBB 2  sing 1 ? ? ? 
PRD_000199 1 3  C  DBB 2  N  PHE 3  sing 1 ? ? ? 
PRD_000199 1 4  C  PHE 3  N  DBB 4  sing 1 ? ? ? 
PRD_000199 1 5  C  DBB 4  N  LEU 5  sing 1 ? ? ? 
PRD_000199 1 6  CB DBB 4  SG CYS 12 sing 1 ? ? ? 
PRD_000199 1 7  C  LEU 5  N  PRO 6  sing 1 ? ? ? 
PRD_000199 1 8  C  PRO 6  N  GLY 7  sing 1 ? ? ? 
PRD_000199 1 9  C  GLY 7  N  GLY 8  sing 1 ? ? ? 
PRD_000199 1 10 C  GLY 8  N  GLY 9  sing 1 ? ? ? 
PRD_000199 1 11 C  GLY 9  N  GLY 10 sing 1 ? ? ? 
PRD_000199 1 12 C  GLY 10 N  VAL 11 sing 1 ? ? ? 
PRD_000199 1 13 C  VAL 11 N  CYS 12 sing 1 ? ? ? 
PRD_000199 1 14 C  CYS 12 N  DBB 13 sing 1 ? ? ? 
PRD_000199 1 15 C  DBB 13 N  LEU 14 sing 1 ? ? ? 
PRD_000199 1 16 CB DBB 13 SG CYS 18 sing 1 ? ? ? 
PRD_000199 1 17 C  LEU 14 N  DBB 15 sing 1 ? ? ? 
PRD_000199 1 18 C  DBB 15 N  DHA 16 sing 1 ? ? ? 
PRD_000199 1 19 CB DBB 15 SG TEE 20 sing 1 ? ? ? 
PRD_000199 1 20 C  DHA 16 N  GLU 17 sing 1 ? ? ? 
PRD_000199 1 21 C  GLU 17 N  CYS 18 sing 1 ? ? ? 
PRD_000199 1 22 C  CYS 18 N  ILE 19 sing 1 ? ? ? 
PRD_000199 1 23 C  ILE 19 N  TEE 20 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000199 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         P43683 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000199 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000199 1 1  CYS CYS N Y 
PRD_000199 1 2  DBB THR N Y 
PRD_000199 1 3  PHE PHE N Y 
PRD_000199 1 4  DBB THR N Y 
PRD_000199 1 5  LEU LEU N Y 
PRD_000199 1 6  PRO PRO N Y 
PRD_000199 1 7  GLY GLY N Y 
PRD_000199 1 8  GLY GLY N Y 
PRD_000199 1 9  GLY GLY N Y 
PRD_000199 1 10 GLY GLY N Y 
PRD_000199 1 11 VAL VAL N Y 
PRD_000199 1 12 CYS CYS N Y 
PRD_000199 1 13 DBB THR N Y 
PRD_000199 1 14 LEU LEU N Y 
PRD_000199 1 15 DBB THR N Y 
PRD_000199 1 16 DHA SER N Y 
PRD_000199 1 17 GLU GLU N Y 
PRD_000199 1 18 CYS CYS N Y 
PRD_000199 1 19 ILE ILE N Y 
PRD_000199 1 20 TEE CYS N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000199 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 69002 
_pdbx_reference_entity_src_nat.organism_scientific   "Bacillus sp. strain HIL Y-85,54728" 
_pdbx_reference_entity_src_nat.source                UniProt 
_pdbx_reference_entity_src_nat.db_code               P43683 
_pdbx_reference_entity_src_nat.db_name               UniProtKB 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000199 2012-02-03 RCSB "Create molecule"    
PRD_000199 2012-07-09 PDBE "Other modification" 
PRD_000199 2012-07-31 RCSB "Other modification" 
PRD_000199 2012-12-12 RCSB "Initial release"    
PRD_000199 2013-06-03 RCSB "Other modification" 
PRD_000199 2017-05-04 RCSB "Other modification" 
PRD_000199 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000200
# 
_pdbx_reference_molecule.prd_id                       PRD_000200 
_pdbx_reference_molecule.name                         "Nisin A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Lantibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C141 H233 N41 O38 S7" 
_pdbx_reference_molecule.formula_weight               3335.066 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;NISIN Z IS A LINEAR TYPE A LANTIBIOTIC, A CLASS OF ANTIBIOTICS
CHARACTERIZED BY THIOETHER AMINO ACIDS LANTHIONINE AND/OR
METHYLLANTHIONINE.
HERE, NISIN Z IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;Nisin Z is a heptacyclic peptide. Post Translational maturation of
lantibiotics involves the enzymic conversion of Thr, and Ser into
dehydrated AA and the formation of thioether bonds with cysteine.
Thioether bonds with cysteine result in five cyclic structures along
the peptide chain.  This is followed by membrane translocation and
cleavage of the modified precursor.
;
_pdbx_reference_molecule.representative_PDB_id_code   1wco 
# 
_pdbx_reference_entity_list.prd_id          PRD_000200 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 34" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000200 1 1  C  ILE 1  N  DBU 2  sing 1 ? ? ? 
PRD_000200 1 2  C  DBU 2  N  DAL 3  sing 1 ? ? ? 
PRD_000200 1 3  CB DAL 3  SG CYS 7  sing 1 ? ? ? 
PRD_000200 1 4  C  DAL 3  N  ILE 4  sing 1 ? ? ? 
PRD_000200 1 5  C  ILE 4  N  DHA 5  sing 1 ? ? ? 
PRD_000200 1 6  C  DHA 5  N  LEU 6  sing 1 ? ? ? 
PRD_000200 1 7  C  LEU 6  N  CYS 7  sing 1 ? ? ? 
PRD_000200 1 8  C  CYS 7  N  DBB 8  sing 1 ? ? ? 
PRD_000200 1 9  CB DBB 8  SG CYS 11 sing 1 ? ? ? 
PRD_000200 1 10 C  DBB 8  N  PRO 9  sing 1 ? ? ? 
PRD_000200 1 11 C  PRO 9  N  GLY 10 sing 1 ? ? ? 
PRD_000200 1 12 C  GLY 10 N  CYS 11 sing 1 ? ? ? 
PRD_000200 1 13 C  CYS 11 N  LYS 12 sing 1 ? ? ? 
PRD_000200 1 14 C  LYS 12 N  DBB 13 sing 1 ? ? ? 
PRD_000200 1 15 CB DBB 13 SG CYS 19 sing 1 ? ? ? 
PRD_000200 1 16 C  DBB 13 N  GLY 14 sing 1 ? ? ? 
PRD_000200 1 17 C  GLY 14 N  ALA 15 sing 1 ? ? ? 
PRD_000200 1 18 C  ALA 15 N  LEU 16 sing 1 ? ? ? 
PRD_000200 1 19 C  LEU 16 N  MET 17 sing 1 ? ? ? 
PRD_000200 1 20 C  MET 17 N  GLY 18 sing 1 ? ? ? 
PRD_000200 1 21 C  GLY 18 N  CYS 19 sing 1 ? ? ? 
PRD_000200 1 22 C  CYS 19 N  ASN 20 sing 1 ? ? ? 
PRD_000200 1 23 C  ASN 20 N  MET 21 sing 1 ? ? ? 
PRD_000200 1 24 C  MET 21 N  LYS 22 sing 1 ? ? ? 
PRD_000200 1 25 C  LYS 22 N  DBB 23 sing 1 ? ? ? 
PRD_000200 1 26 CB DBB 23 SG CYS 26 sing 1 ? ? ? 
PRD_000200 1 27 C  DBB 23 N  ALA 24 sing 1 ? ? ? 
PRD_000200 1 28 C  ALA 24 N  DBB 25 sing 1 ? ? ? 
PRD_000200 1 29 CB DBB 25 SG CYS 28 sing 1 ? ? ? 
PRD_000200 1 30 C  DBB 25 N  CYS 26 sing 1 ? ? ? 
PRD_000200 1 31 C  CYS 26 N  ASN 27 sing 1 ? ? ? 
PRD_000200 1 32 C  ASN 27 N  CYS 28 sing 1 ? ? ? 
PRD_000200 1 33 C  CYS 28 N  SER 29 sing 1 ? ? ? 
PRD_000200 1 34 C  SER 29 N  ILE 30 sing 1 ? ? ? 
PRD_000200 1 35 C  ILE 30 N  HIS 31 sing 1 ? ? ? 
PRD_000200 1 36 C  HIS 31 N  VAL 32 sing 1 ? ? ? 
PRD_000200 1 37 C  VAL 32 N  DHA 33 sing 1 ? ? ? 
PRD_000200 1 38 C  DHA 33 N  LYS 34 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000200 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         P29559 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000200 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000200 1 1  ILE ILE N Y 
PRD_000200 1 2  DBU THR N Y 
PRD_000200 1 3  DAL SER N Y 
PRD_000200 1 4  ILE ILE N Y 
PRD_000200 1 5  DHA SER N Y 
PRD_000200 1 6  LEU LEU N Y 
PRD_000200 1 7  CYS CYS N Y 
PRD_000200 1 8  DBB THR N Y 
PRD_000200 1 9  PRO PRO N Y 
PRD_000200 1 10 GLY GLY N Y 
PRD_000200 1 11 CYS CYS N Y 
PRD_000200 1 12 LYS LYS N Y 
PRD_000200 1 13 DBB THR N Y 
PRD_000200 1 14 GLY GLY N Y 
PRD_000200 1 15 ALA ALA N Y 
PRD_000200 1 16 LEU LEU N Y 
PRD_000200 1 17 MET MET N Y 
PRD_000200 1 18 GLY GLY N Y 
PRD_000200 1 19 CYS CYS N Y 
PRD_000200 1 20 ASN ASN N Y 
PRD_000200 1 21 MET MET N Y 
PRD_000200 1 22 LYS LYS N Y 
PRD_000200 1 23 DBB THR N Y 
PRD_000200 1 24 ALA ALA N Y 
PRD_000200 1 25 DBB THR N Y 
PRD_000200 1 26 CYS CYS N Y 
PRD_000200 1 27 ASN ASN N Y 
PRD_000200 1 28 CYS CYS N Y 
PRD_000200 1 29 SER SER N Y 
PRD_000200 1 30 ILE ILE N Y 
PRD_000200 1 31 HIS HIS N Y 
PRD_000200 1 32 VAL VAL N Y 
PRD_000200 1 33 DHA SER N Y 
PRD_000200 1 34 LYS LYS N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000200 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1360 
_pdbx_reference_entity_src_nat.organism_scientific   "Lactococcus lactis NIZO 22186" 
_pdbx_reference_entity_src_nat.source                UniProt 
_pdbx_reference_entity_src_nat.db_code               P13068 
_pdbx_reference_entity_src_nat.db_name               UniProtKB 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000200 2012-02-03 RCSB "Create molecule"    
PRD_000200 2012-07-09 PDBE "Other modification" 
PRD_000200 2012-12-12 RCSB "Initial release"    
PRD_000200 2013-06-03 RCSB "Other modification" 
PRD_000200 2017-05-04 RCSB "Other modification" 
PRD_000200 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000201
# 
_pdbx_reference_molecule.prd_id                       PRD_000201 
_pdbx_reference_molecule.name                         Alpha-Amanitin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Toxin 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C39 H54 N10 O14 S" 
_pdbx_reference_molecule.formula_weight               918.96966 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;ALPHA-AMANITIN, AN AMATOXIN, IS A DI-CYCLIC PEPTIDE.
HERE, ALPHA-AMANITIN IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;ALPHA-AMANITIN, IS AN 8 AMINO-ACID PEPTIDE.
THE OUTER LOOP IS FORMED BY A PEPTIDE BOND
BETWEEN THE C- AND THE N-TERMINI. THE SIDE-CHAINS
OF RESIDUES 2 AND 8 ARE LINKED TO FORM THE INNER
LOOP.
;
_pdbx_reference_molecule.representative_PDB_id_code   3cqz 
# 
_pdbx_reference_entity_list.prd_id          PRD_000201 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 8" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000201 1 1 C   ILX 1 N  TRX 2 sing 1 ? ? ? 
PRD_000201 1 2 N   ILX 1 C  HYP 8 sing 1 ? ? ? 
PRD_000201 1 3 C   TRX 2 N  GLY 3 sing 1 ? ? ? 
PRD_000201 1 4 CD1 TRX 2 SG CSX 6 sing 1 ? ? ? 
PRD_000201 1 5 C   GLY 3 N  ILE 4 sing 1 ? ? ? 
PRD_000201 1 6 C   ILE 4 N  GLY 5 sing 1 ? ? ? 
PRD_000201 1 7 C   GLY 5 N  CSX 6 sing 1 ? ? ? 
PRD_000201 1 8 C   CSX 6 N  ASN 7 sing 1 ? ? ? 
PRD_000201 1 9 C   ASN 7 N  HYP 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000201 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         P85421 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000201 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000201 1 1 ILX ILE N Y 
PRD_000201 1 2 TRX TRP N Y 
PRD_000201 1 3 GLY GLY N Y 
PRD_000201 1 4 ILE ILE N Y 
PRD_000201 1 5 GLY GLY N Y 
PRD_000201 1 6 CSX CYS N Y 
PRD_000201 1 7 ASN ASN N Y 
PRD_000201 1 8 HYP PRO N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000201 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 67723 
_pdbx_reference_entity_src_nat.organism_scientific   "Amanita bispoigera" 
_pdbx_reference_entity_src_nat.source                UniProt 
_pdbx_reference_entity_src_nat.db_code               P85421 
_pdbx_reference_entity_src_nat.db_name               UniProtKB 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000201 2012-02-01 RCSB "Create molecule"    
PRD_000201 2012-07-09 PDBE "Other modification" 
PRD_000201 2012-12-12 RCSB "Initial release"    
PRD_000201 2013-06-03 RCSB "Other modification" 
PRD_000201 2017-05-04 RCSB "Other modification" 
PRD_000201 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000203
# 
_pdbx_reference_molecule.prd_id                       PRD_000203 
_pdbx_reference_molecule.name                         "Chloroorienticin A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Glycopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C73 H88 Cl2 N10 O26" 
_pdbx_reference_molecule.formula_weight               1592.437 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;CHLOROORIENTICIN A IS A TRICYCLIC GLYCOPEPTIDE, A MEMBER OF THE VANCOMYCIN FAMILY. THE SCAFFOLD IS A HEPTAPEPTIDE WITH
THE CONFIGURATION D-D-L-D-D-L-L. IT IS FURTHER GLYCOSYLATED BY ONE DISACCHARIDE AND ONE MONOSACCHARIDE HERE,
CHLOROORIENTICIN A IS REPRESENTED BY GROUPING TOGETHER THE SEQUENCE (SEQRES) AND THE THREE LIGANDS (HET) BGC AND TWO
RER.
;
_pdbx_reference_molecule.description                  
;CHLOROORIENTICIN A IS A TRICYCLIC GLYCOPEPTIDE, GLYCOSYLATED BY ONE DISACCHARIDE ON RESIDUE 4 AND ONE MONOSACCHARIDE
ON RESIDUE 6.
;
_pdbx_reference_molecule.representative_PDB_id_code   1gac 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000203 1 1 polymer     "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 7" 
PRD_000203 2 2 non-polymer BGC                                     
PRD_000203 3 3 non-polymer RER                                     
PRD_000203 3 4 non-polymer RER                                     
# 
loop_
_pdbx_reference_entity_nonpoly.prd_id 
_pdbx_reference_entity_nonpoly.ref_entity_id 
_pdbx_reference_entity_nonpoly.name 
_pdbx_reference_entity_nonpoly.chem_comp_id 
_pdbx_reference_entity_nonpoly.details 
PRD_000203 2 BETA-D-GLUCOSE BGC ? 
PRD_000203 3 VANCOSAMINE    RER ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000203 1 PN 1 4 GHP O4  2 ? BGC C1 sing 1 2 ? ? ? 
PRD_000203 2 PN 1 6 OMY ODE 3 ? RER C1 sing 1 4 ? ? ? 
PRD_000203 3 NN 2 ? BGC O2  3 ? RER C1 sing 2 3 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000203 1 1 C  MLU 1 N   OMZ 2 sing 1 ? ? ? 
PRD_000203 1 2 C  OMZ 2 N   ASN 3 sing 1 ? ? ? 
PRD_000203 1 3 OH OMZ 2 C5  GHP 4 sing 1 ? ? ? 
PRD_000203 1 4 C  ASN 3 N   GHP 4 sing 1 ? ? ? 
PRD_000203 1 5 C  GHP 4 N   GHP 5 sing 1 ? ? ? 
PRD_000203 1 6 C3 GHP 4 OCZ OMY 6 sing 1 ? ? ? 
PRD_000203 1 7 C3 GHP 5 CG1 3FG 7 sing 1 ? ? ? 
PRD_000203 1 8 C  GHP 5 N   OMY 6 sing 1 ? ? ? 
PRD_000203 1 9 C  OMY 6 N   3FG 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000203 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00692 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000203 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000203 1 1 MLU LEU N Y 
PRD_000203 1 2 OMZ TYR N Y 
PRD_000203 1 3 ASN ASN N Y 
PRD_000203 1 4 GHP PHE N Y 
PRD_000203 1 5 GHP PHE N Y 
PRD_000203 1 6 OMY TYR N Y 
PRD_000203 1 7 3FG PHE N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000203 1 1 31958 "Amycolatopsis orientalis (previously designated Norcardia orientalis and Streptomyces orientalis)" PubMed ?        ?      ? 
PRD_000203 1 2 31958 "AMYCOLATOPSIS ORIENTALIS"                                                                          ?      NOR00681 Norine ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000203 2012-02-08 RCSB "Create molecule"    
PRD_000203 2012-07-09 PDBE "Other modification" 
PRD_000203 2012-12-12 RCSB "Initial release"    
PRD_000203 2013-06-03 RCSB "Other modification" 
PRD_000203 2017-05-04 RCSB "Other modification" 
PRD_000203 2020-07-29 RCSB "Other modification" 
PRD_000203 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000204
# 
_pdbx_reference_molecule.prd_id                       PRD_000204 
_pdbx_reference_molecule.name                         Vancomycin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Glycopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C66 H75 Cl2 N9 O24" 
_pdbx_reference_molecule.formula_weight               1449.25 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;VANCOMYCIN IS A TRICYCLIC GLYCOPEPTIDE. THE SCAFFOLD IS A HEPTAPEPTIDE WITH THE CONFIGURATION D-D-L-D-D-L-L. IT IS
FURTHER GLYCOSYLATED BY A DISACCHARIDE MADE OF D-GLUCOSE AND VANCOSAMINE. HERE, VANCOMYCIN IS REPRESENTED BY GROUPING
TOUGHER THE SEQUENCE (SEQRES) AND THE TWO LIGANDS (HET) BGC AND RER.
;
_pdbx_reference_molecule.description                  "VANCOMYCIN IS A TRICYCLIC GLYCOPEPTIDE, GLYCOSYLATED BY A DISACCHARIDE (RESIDUES 8 AND 9) ON RESIDUE 4." 
_pdbx_reference_molecule.representative_PDB_id_code   1AA5 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000204 1 1 polymer  . 
PRD_000204 2 2 branched . 
# 
_pdbx_reference_entity_link.prd_id              PRD_000204 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PP 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    4 
_pdbx_reference_entity_link.comp_id_1           GHP 
_pdbx_reference_entity_link.atom_id_1           O4 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    1 
_pdbx_reference_entity_link.comp_id_2           BGC 
_pdbx_reference_entity_link.atom_id_2           C1 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             . 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000204 1 1  C  MLU 1 N   OMZ 2 sing 1 ? ? ? 
PRD_000204 1 2  C  OMZ 2 N   ASN 3 sing 1 ? ? ? 
PRD_000204 1 3  OH OMZ 2 C5  GHP 4 sing 1 ? ? ? 
PRD_000204 1 4  C  ASN 3 N   GHP 4 sing 1 ? ? ? 
PRD_000204 1 5  C  GHP 4 N   GHP 5 sing 1 ? ? ? 
PRD_000204 1 6  C3 GHP 4 OCZ OMY 6 sing 1 ? ? ? 
PRD_000204 1 7  C  GHP 5 N   OMY 6 sing 1 ? ? ? 
PRD_000204 1 8  C3 GHP 5 CG1 3FG 7 sing 1 ? ? ? 
PRD_000204 1 9  C  OMY 6 N   3FG 7 sing 1 ? ? ? 
PRD_000204 2 10 O2 BGC 1 C1  RER 2 sing 2 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly.prd_id 
_pdbx_reference_entity_poly.ref_entity_id 
_pdbx_reference_entity_poly.db_code 
_pdbx_reference_entity_poly.db_name 
_pdbx_reference_entity_poly.type 
PRD_000204 1 NOR00681 NOR peptide-like    
PRD_000204 2 NOR00681 NOR oligosaccharide 
# 
loop_
_pdbx_reference_entity_sequence.prd_id 
_pdbx_reference_entity_sequence.ref_entity_id 
_pdbx_reference_entity_sequence.type 
_pdbx_reference_entity_sequence.NRP_flag 
PRD_000204 1 peptide-like Y 
PRD_000204 2 saccharide   N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000204 1 1 MLU .   N Y 
PRD_000204 1 2 OMZ .   N Y 
PRD_000204 1 3 ASN ASN N Y 
PRD_000204 1 4 GHP .   N Y 
PRD_000204 1 5 GHP .   N Y 
PRD_000204 1 6 OMY TYR N Y 
PRD_000204 1 7 3FG .   N Y 
PRD_000204 2 1 BGC .   N Y 
PRD_000204 2 2 RER .   N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000204 1 1 31958 "Streptomyces orientalis"  ? D00212   KEGG   ? 
PRD_000204 1 2 31958 "Amycolatopsis orientalis" ? NOR00681 Norine ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000204 2012-02-01 RCSB "Create molecule"    
PRD_000204 2012-07-09 PDBE "Other modification" 
PRD_000204 2012-12-12 RCSB "Initial release"    
PRD_000204 2013-06-03 RCSB "Other modification" 
PRD_000204 2017-05-04 RCSB "Other modification" 
PRD_000204 2020-07-29 RCSB "Other modification" 
PRD_000204 2021-03-08 RCSB "Other modification" 
PRD_000204 2022-01-06 RCSB "Other modification" 
# 
data_PRD_000205
# 
_pdbx_reference_molecule.prd_id                       PRD_000205 
_pdbx_reference_molecule.name                         "DESVANCOSAMINYL VANCOMYCIN" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Glycopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C59 H62 Cl2 N8 O22" 
_pdbx_reference_molecule.formula_weight               1306.070 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;VANCOMYCIN DESVANCOSAMINYL IS A TRICYCLIC GLYCOPEPTIDE, A MEMBER OF THE VANCOMYCIN FAMILY. THE SCAFFOLD IS A
HEPTAPEPTIDE WITH THE CONFIGURATION D-D-L-D-D-L-L. IT IS FURTHER GLYCOSYLATED BY A D-GLUCOSE HERE, DESVANCOSAMINYL
ANCOMYCIN IS REPRESENTED BY GROUPING TOGETHER THE SEQUENCE (SEQRES) AND THE LIGAND (HET) BGC.
;
_pdbx_reference_molecule.description                  
;DESVANCOSAMINYL VANCOMYCIN IS AN INTERMIDIATE IN VANCOMYCIN BIOSYNTHESIS. IT IS TRICYCLIC GLYCOPEPTIDE, GLYCOSYLATED
BY D-GLUCOSE (RESIDUE 8) ON RESIDUE 4.
;
_pdbx_reference_molecule.representative_PDB_id_code   1rrv 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000205 1 1 polymer     "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 7" 
PRD_000205 2 2 non-polymer BGC                                     
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000205 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            BETA-D-GLUCOSE 
_pdbx_reference_entity_nonpoly.chem_comp_id    BGC 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_link.prd_id              PRD_000205 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    4 
_pdbx_reference_entity_link.comp_id_1           GHP 
_pdbx_reference_entity_link.atom_id_1           O4 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    ? 
_pdbx_reference_entity_link.comp_id_2           BGC 
_pdbx_reference_entity_link.atom_id_2           C1 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             ? 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000205 1 1 C  MLU 1 N   OMZ 2 sing 1 ? ? ? 
PRD_000205 1 2 C  OMZ 2 N   ASN 3 sing 1 ? ? ? 
PRD_000205 1 3 OH OMZ 2 C5  GHP 4 sing 1 ? ? ? 
PRD_000205 1 4 C  ASN 3 N   GHP 4 sing 1 ? ? ? 
PRD_000205 1 5 C  GHP 4 N   GHP 5 sing 1 ? ? ? 
PRD_000205 1 6 C3 GHP 4 OCZ OMY 6 sing 1 ? ? ? 
PRD_000205 1 7 C3 GHP 5 CG1 3FG 7 sing 1 ? ? ? 
PRD_000205 1 8 C  GHP 5 N   OMY 6 sing 1 ? ? ? 
PRD_000205 1 9 C  OMY 6 N   3FG 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000205 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00681 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000205 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000205 1 1 MLU LEU N Y 
PRD_000205 1 2 OMZ TYR N Y 
PRD_000205 1 3 ASN ASN N Y 
PRD_000205 1 4 GHP PHE N Y 
PRD_000205 1 5 GHP PHE N Y 
PRD_000205 1 6 OMY TYR N Y 
PRD_000205 1 7 3FG PHE N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000205 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 31958 
_pdbx_reference_entity_src_nat.organism_scientific   "AMYCOLATOPSIS ORIENTALIS" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00681 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000205 2012-02-03 RCSB "Create molecule"    
PRD_000205 2012-07-09 PDBE "Other modification" 
PRD_000205 2012-12-12 RCSB "Initial release"    
PRD_000205 2013-06-03 RCSB "Other modification" 
PRD_000205 2017-05-04 RCSB "Other modification" 
PRD_000205 2020-07-29 RCSB "Other modification" 
PRD_000205 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000206
# 
_pdbx_reference_molecule.prd_id                       PRD_000206 
_pdbx_reference_molecule.name                         "VANCOMYCIN AGLYCON" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C53 H52 Cl2 N8 O17" 
_pdbx_reference_molecule.formula_weight               1143.929 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;VANCOMYCIN IS A TRICYCLIC GLYCOPEPTIDE. THE SCAFFOLD IS A HEPTAPEPTIDE WITH THE CONFIGURATION D-D-L-D-D-L-L. IT IS
FURTHER GLYCOSYLATED BY A DISACCHARIDE MADE OF D-GLUCOSE AND VANCOSAMINE. HERE, VANCOMYCIN AGLYCON IS REPRESENTED BY
SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  "VANCOMYCIN AGLYCON IS THE NONSUGAR COMPONENT OF VANCOMYCIN, CONSISTING OF THE TRICYCLIC HEPTAPEPTIDE ONLY." 
_pdbx_reference_molecule.representative_PDB_id_code   1ghg 
# 
_pdbx_reference_entity_list.prd_id          PRD_000206 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 7" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000206 1 1 C  MLU 1 N   OMZ 2 sing 1 ? ? ? 
PRD_000206 1 2 C  OMZ 2 N   ASN 3 sing 1 ? ? ? 
PRD_000206 1 3 OH OMZ 2 C5  GHP 4 sing 1 ? ? ? 
PRD_000206 1 4 C  ASN 3 N   GHP 4 sing 1 ? ? ? 
PRD_000206 1 5 C  GHP 4 N   GHP 5 sing 1 ? ? ? 
PRD_000206 1 6 C3 GHP 4 OCZ OMY 6 sing 1 ? ? ? 
PRD_000206 1 7 C  GHP 5 N   OMY 6 sing 1 ? ? ? 
PRD_000206 1 8 C3 GHP 5 CG1 3FG 7 sing 1 ? ? ? 
PRD_000206 1 9 C  OMY 6 N   3FG 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000206 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00681 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000206 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000206 1 1 MLU LEU N Y 
PRD_000206 1 2 OMZ TYR N Y 
PRD_000206 1 3 ASN ASN N Y 
PRD_000206 1 4 GHP PHE N Y 
PRD_000206 1 5 GHP PHE N Y 
PRD_000206 1 6 OMY TYR N Y 
PRD_000206 1 7 3FG PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000206 2012-02-03 RCSB "Create molecule"    
PRD_000206 2012-07-09 PDBE "Other modification" 
PRD_000206 2012-12-12 RCSB "Initial release"    
PRD_000206 2013-06-03 RCSB "Other modification" 
PRD_000206 2017-05-04 RCSB "Other modification" 
PRD_000206 2020-07-29 RCSB "Other modification" 
PRD_000206 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000207
# 
_pdbx_reference_molecule.prd_id                       PRD_000207 
_pdbx_reference_molecule.name                         Decaplanin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Glycopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C72 H86 Cl N9 O28" 
_pdbx_reference_molecule.formula_weight               1560.950 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;DECAPLANIN IS A TRICYCLIC GLYCOPEPTIDE. HERE, DECAPLSNIN IS REPRESENTED BY GROUPING TOGETHER THE SEQUENCE (SEQRES) AND
THE THREE LIGANDS (HET) BGC, ERE AND RAM.
;
_pdbx_reference_molecule.description                  
;DECAPLANIN IS A TRICYCLIC GLYCOPEPTIDE. THE SCAFFOLD IS A HEPTAPEPTIDE WITH THE CONFIGURATION D-D-L-D-D-L-L,
GLYCOSYLATED
;
_pdbx_reference_molecule.representative_PDB_id_code   1hh3 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000207 1 1 polymer     "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 7" 
PRD_000207 2 2 non-polymer ERE                                     
PRD_000207 3 3 non-polymer BGC                                     
PRD_000207 4 4 non-polymer RAM                                     
# 
loop_
_pdbx_reference_entity_nonpoly.prd_id 
_pdbx_reference_entity_nonpoly.ref_entity_id 
_pdbx_reference_entity_nonpoly.name 
_pdbx_reference_entity_nonpoly.chem_comp_id 
_pdbx_reference_entity_nonpoly.details 
PRD_000207 2 4-EPI-VANCOSAMINE ERE ? 
PRD_000207 3 BETA-D-GLUCOSE    BGC ? 
PRD_000207 4 ALPHA-L-RHAMNOSE  RAM ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000207 1 PN 1 4 GHP O4 3 ? BGC C1 sing 1 3 ? ? ? 
PRD_000207 2 PN 1 6 OMX OC 2 ? ERE C1 sing 1 2 ? ? ? 
PRD_000207 3 NN 3 ? BGC O2 4 ? RAM C1 sing 3 4 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000207 1 1 C  MLU 1 N   OMZ 2 sing 1 ? ? ? 
PRD_000207 1 2 C  OMZ 2 N   ASN 3 sing 1 ? ? ? 
PRD_000207 1 3 OH OMZ 2 C5  GHP 4 sing 1 ? ? ? 
PRD_000207 1 4 C  ASN 3 N   GHP 4 sing 1 ? ? ? 
PRD_000207 1 5 C  GHP 4 N   GHP 5 sing 1 ? ? ? 
PRD_000207 1 6 C3 GHP 4 OH  OMX 6 sing 1 ? ? ? 
PRD_000207 1 7 C  GHP 5 N   OMX 6 sing 1 ? ? ? 
PRD_000207 1 8 C3 GHP 5 CG1 3FG 7 sing 1 ? ? ? 
PRD_000207 1 9 C  OMX 6 N   3FG 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000207 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00692 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000207 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000207 1 1 MLU LEU N Y 
PRD_000207 1 2 OMZ TYR N Y 
PRD_000207 1 3 ASN ASN N Y 
PRD_000207 1 4 GHP PHE N Y 
PRD_000207 1 5 GHP PHE N Y 
PRD_000207 1 6 OMX TYR N Y 
PRD_000207 1 7 3FG PHE N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000207 1 1 ?      "Kibdellosporangium deccaensis DSM4763"               URL ?      ?    ? 
PRD_000207 1 2 31958  "Amycolatopsis orientalis"                            ?   430189 NADB ? 
PRD_000207 1 3 100235 "HIL Actinomycete culture Y-86,36910 (DSM 4763)"      ?   1hh3   PDB  ? 
PRD_000207 1 4 163672 "Nocardia nov. sp."                                   ?   420095 NADB ? 
PRD_000207 1 5 208441 "Amycolatopsis decaplanina sp. nov. Strain DSM 44594" DOI ?      ?    ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000207 2012-02-08 RCSB "Create molecule"    
PRD_000207 2012-07-09 PDBE "Other modification" 
PRD_000207 2012-12-12 RCSB "Initial release"    
PRD_000207 2013-06-03 RCSB "Other modification" 
PRD_000207 2017-05-04 RCSB "Other modification" 
PRD_000207 2020-07-29 RCSB "Other modification" 
PRD_000207 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000209
# 
_pdbx_reference_molecule.prd_id                       PRD_000209 
_pdbx_reference_molecule.name                         "Teicoplanin A2-2 beta-D-Glucopyranuronic acid" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Glycopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Antibiotic, Antimicrobial" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C88 H97 Cl2 N9 O33" 
_pdbx_reference_molecule.formula_weight               1879.658 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2xad 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000209 1 1 polymer     "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 7" 
PRD_000209 2 2 non-polymer BMA                                     
PRD_000209 3 3 non-polymer NAG                                     
PRD_000209 4 4 non-polymer GCS                                     
PRD_000209 5 5 non-polymer T55                                     
# 
loop_
_pdbx_reference_entity_nonpoly.prd_id 
_pdbx_reference_entity_nonpoly.ref_entity_id 
_pdbx_reference_entity_nonpoly.name 
_pdbx_reference_entity_nonpoly.chem_comp_id 
_pdbx_reference_entity_nonpoly.details 
PRD_000209 2 BETA-D-MANNOSE          BMA ? 
PRD_000209 3 N-ACETYL-D-GLUCOSAMINE  NAG ? 
PRD_000209 4 D-GLUCOSAMINE           GCS ? 
PRD_000209 5 "8-METHYLNONANOIC ACID" T55 ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000209 1 PN 1 6 OMY ODE 3 ? NAG C1 sing 1 3 ? ? ? 
PRD_000209 2 PN 1 7 3FG OD1 2 ? BMA C1 sing 1 2 ? ? ? 
PRD_000209 3 PN 1 4 GHP O4  4 ? GCS C1 sing 1 4 ? ? ? 
PRD_000209 4 NN 4 ? GCS N2  5 ? T55 C  sing 4 5 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000209 1 1  C   GHP 1 N   3MY 2 sing 1 ? ? ? 
PRD_000209 1 2  C3  GHP 1 OD1 3FG 3 sing 1 ? ? ? 
PRD_000209 1 3  OBD 3MY 2 C3  GHP 4 sing 1 ? ? ? 
PRD_000209 1 4  C   3MY 2 N   3FG 3 sing 1 ? ? ? 
PRD_000209 1 5  C   3FG 3 N   GHP 4 sing 1 ? ? ? 
PRD_000209 1 6  C   GHP 4 N   GHP 5 sing 1 ? ? ? 
PRD_000209 1 7  C5  GHP 4 OCZ OMY 6 sing 1 ? ? ? 
PRD_000209 1 8  C   GHP 5 N   OMY 6 sing 1 ? ? ? 
PRD_000209 1 9  C3  GHP 5 CG1 3FG 7 sing 1 ? ? ? 
PRD_000209 1 10 C   OMY 6 N   3FG 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000209 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000209 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000209 1 1 GHP PHE N Y 
PRD_000209 1 2 3MY TYR N Y 
PRD_000209 1 3 3FG PHE N Y 
PRD_000209 1 4 GHP PHE N Y 
PRD_000209 1 5 GHP PHE N Y 
PRD_000209 1 6 OMY TYR N Y 
PRD_000209 1 7 3FG PHE N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000209 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1876 
_pdbx_reference_entity_src_nat.organism_scientific   "Actinoplanes teichomyceticus" 
_pdbx_reference_entity_src_nat.source                PubMed 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000209 2012-02-08 RCSB "Create molecule"    
PRD_000209 2012-07-09 PDBE "Other modification" 
PRD_000209 2012-11-28 RCSB "Modify class"       
PRD_000209 2012-12-05 RCSB "Other modification" 
PRD_000209 2012-12-12 RCSB "Initial release"    
PRD_000209 2013-06-03 RCSB "Other modification" 
PRD_000209 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000210
# 
_pdbx_reference_molecule.prd_id                       PRD_000210 
_pdbx_reference_molecule.name                         "Teicoplanin Aglycone" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C58 H45 Cl2 N7 O18" 
_pdbx_reference_molecule.formula_weight               1198.920 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;TEICOPLANIN IS A FAMILY OF TETRACYCLIC GLYCOPEPTIDE ANTIBIOTICS.
THE SCAFFOLD IS A HEPTAPEPTIDE FURTHER GLYCOSYLATED BY THREE
MONO SACCHARIDES: MANNOSE, N-ACETYLGLUCOSAMINE AND
BETA-D-GLUCOSAMINE AND ONLY DIFFER BY THE SIDE CHAIN ATTACHED
TO THE LATTER.
HERE, TEICOPLANIN AGLYCON IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;TEICOPLANIN AGLYCON IS THE NONSUGAR COMPONENT OF
TEICOPLANIN, CONSISTING OF THE TETRACYCLIC
HEPTAPEPTIDE ONLY.
;
_pdbx_reference_molecule.representative_PDB_id_code   3mgb 
# 
_pdbx_reference_entity_list.prd_id          PRD_000210 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 7" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000210 1 1  C   GHP 1 N   3MY 2 sing 1 ? ? ? 
PRD_000210 1 2  C3  GHP 1 OD2 3FG 3 sing 1 ? ? ? 
PRD_000210 1 3  OBD 3MY 2 C3  GHP 4 sing 1 ? ? ? 
PRD_000210 1 4  C   3MY 2 N   3FG 3 sing 1 ? ? ? 
PRD_000210 1 5  C   3FG 3 N   GHP 4 sing 1 ? ? ? 
PRD_000210 1 6  C   GHP 4 N   GHP 5 sing 1 ? ? ? 
PRD_000210 1 7  C5  GHP 4 OCZ OMY 6 sing 1 ? ? ? 
PRD_000210 1 8  C5  GHP 5 CG1 3FG 7 sing 1 ? ? ? 
PRD_000210 1 9  C   GHP 5 N   OMY 6 sing 1 ? ? ? 
PRD_000210 1 10 C   OMY 6 N   3FG 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000210 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000210 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000210 1 1 GHP PHE N Y 
PRD_000210 1 2 3MY TYR N Y 
PRD_000210 1 3 3FG PHE N Y 
PRD_000210 1 4 GHP PHE N Y 
PRD_000210 1 5 GHP PHE N Y 
PRD_000210 1 6 OMY TYR N Y 
PRD_000210 1 7 3FG PHE N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000210 1 1 1876  "Actinoplanes teichomyceticus" PubMed ? ? ? 
PRD_000210 1 2 93944 "NONOMURAEA SP."               PubMed ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000210 2012-02-08 RCSB "Create molecule"    
PRD_000210 2012-07-09 PDBE "Other modification" 
PRD_000210 2012-07-31 RCSB "Other modification" 
PRD_000210 2012-12-12 RCSB "Initial release"    
PRD_000210 2013-06-03 RCSB "Other modification" 
PRD_000210 2017-05-04 RCSB "Other modification" 
PRD_000210 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000211
# 
_pdbx_reference_molecule.prd_id                       PRD_000211 
_pdbx_reference_molecule.name                         A40926 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Glycopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Antibiotic, Antimicrobial" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C88 H95 Cl2 N9 O34" 
_pdbx_reference_molecule.formula_weight               1893.642 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2wdx 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000211 1 1 polymer     "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 7" 
PRD_000211 2 2 non-polymer BMA                                     
PRD_000211 3 3 non-polymer NAG                                     
PRD_000211 4 4 non-polymer N1L                                     
PRD_000211 5 5 non-polymer T55                                     
# 
loop_
_pdbx_reference_entity_nonpoly.prd_id 
_pdbx_reference_entity_nonpoly.ref_entity_id 
_pdbx_reference_entity_nonpoly.name 
_pdbx_reference_entity_nonpoly.chem_comp_id 
_pdbx_reference_entity_nonpoly.details 
PRD_000211 2 BETA-D-MANNOSE                                 BMA ? 
PRD_000211 3 N-ACETYL-D-GLUCOSAMINE                         NAG ? 
PRD_000211 4 "2-AMINO-2-DEOXY-BETA-D-GLUCOPYRANURONIC ACID" N1L ? 
PRD_000211 5 "8-METHYLNONANOIC ACID"                        T55 ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000211 1 PN 1 6 OMY ODE 3 ? NAG C1 sing 1 3 ? ? ? 
PRD_000211 2 PN 1 7 3FG OD1 2 ? BMA C1 sing 1 2 ? ? ? 
PRD_000211 3 PN 1 4 GHP O4  4 ? N1L C1 sing 1 4 ? ? ? 
PRD_000211 4 NN 4 ? N1L N2  5 ? T55 C  sing 4 5 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000211 1 1  C   GHP 1 N   3MY 2 sing 1 ? ? ? 
PRD_000211 1 2  C3  GHP 1 OD1 3FG 3 sing 1 ? ? ? 
PRD_000211 1 3  C   3MY 2 N   3FG 3 sing 1 ? ? ? 
PRD_000211 1 4  OBD 3MY 2 C5  GHP 4 sing 1 ? ? ? 
PRD_000211 1 5  C   3FG 3 N   GHP 4 sing 1 ? ? ? 
PRD_000211 1 6  C3  GHP 4 OCZ OMY 6 sing 1 ? ? ? 
PRD_000211 1 7  C   GHP 4 N   GHP 5 sing 1 ? ? ? 
PRD_000211 1 8  C3  GHP 5 CG1 3FG 7 sing 1 ? ? ? 
PRD_000211 1 9  C   GHP 5 N   OMY 6 sing 1 ? ? ? 
PRD_000211 1 10 C   OMY 6 N   3FG 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000211 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000211 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000211 1 1 GHP PHE N Y 
PRD_000211 1 2 3MY TYR N Y 
PRD_000211 1 3 3FG PHE N Y 
PRD_000211 1 4 GHP PHE N Y 
PRD_000211 1 5 GHP PHE N Y 
PRD_000211 1 6 OMY TYR N Y 
PRD_000211 1 7 3FG PHE N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000211 1 1 ?      "actinomycete Nonomuraea species" ? 560246 NADB ? 
PRD_000211 1 2 457423 "Actinoplanes teichomyceticus"    ? 560247 NADB ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000211 2012-02-03 RCSB "Create molecule"    
PRD_000211 2012-07-09 PDBE "Other modification" 
PRD_000211 2012-11-28 RCSB "Modify class"       
PRD_000211 2012-12-12 RCSB "Initial release"    
PRD_000211 2013-06-03 RCSB "Other modification" 
PRD_000211 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000212
# 
_pdbx_reference_molecule.prd_id                       PRD_000212 
_pdbx_reference_molecule.name                         "Microcystin LR" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Toxin 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C49 H75 N10 O12" 
_pdbx_reference_molecule.formula_weight               996.180 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1eva 
# 
_pdbx_reference_entity_list.prd_id          PRD_000212 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PHOSPHATASE-1/-2A INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000212 1 1 N  DAL 1 C DAM 7 sing 1 ? ? ? 
PRD_000212 1 2 C  DAL 1 N LEU 2 sing 1 ? ? ? 
PRD_000212 1 3 C  LEU 2 N ACB 3 sing 1 ? ? ? 
PRD_000212 1 4 CG ACB 3 N ARG 4 sing 1 ? ? ? 
PRD_000212 1 5 C  ARG 4 N 1ZN 5 sing 1 ? ? ? 
PRD_000212 1 6 C  1ZN 5 N FGA 6 sing 1 ? ? ? 
PRD_000212 1 7 CD FGA 6 N DAM 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000212 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00109 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000212 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000212 1 1 DAL ALA N Y 
PRD_000212 1 2 LEU LEU N Y 
PRD_000212 1 3 ACB ASP N Y 
PRD_000212 1 4 ARG ARG N Y 
PRD_000212 1 5 1ZN ?   N Y 
PRD_000212 1 6 FGA GLU N Y 
PRD_000212 1 7 DAM ALA N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000212 1 1 1126  "Microcystis aeruginosa" ? NOR00109 Norine ? 
PRD_000212 1 2 44822 "Microcystis viridis"    ? NOR00109 Norine ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000212 2012-02-08 RCSB "Create molecule"    
PRD_000212 2012-07-09 PDBE "Other modification" 
PRD_000212 2012-12-12 RCSB "Initial release"    
PRD_000212 2013-06-03 RCSB "Other modification" 
PRD_000212 2020-07-29 RCSB "Other modification" 
PRD_000212 2023-09-20 PDBE "Modify audit"       
PRD_000212 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000213
# 
_pdbx_reference_molecule.prd_id                       PRD_000213 
_pdbx_reference_molecule.name                         motuporin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Toxin 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C40 H57 N5 O10" 
_pdbx_reference_molecule.formula_weight               767.908 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1evc 
# 
_pdbx_reference_entity_list.prd_id          PRD_000213 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PHOSPHATASE-1/-2A INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000213 1 1 N  ACB 1 C MDH 5 sing 1 ? ? ? 
PRD_000213 1 2 CG ACB 1 N VAL 2 sing 1 ? ? ? 
PRD_000213 1 3 C  VAL 2 N 1ZN 3 sing 1 ? ? ? 
PRD_000213 1 4 C  1ZN 3 N FGA 4 sing 1 ? ? ? 
PRD_000213 1 5 CD FGA 4 N MDH 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000213 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00825 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000213 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000213 1 1 ACB ASP N Y 
PRD_000213 1 2 VAL VAL N Y 
PRD_000213 1 3 1ZN ?   N Y 
PRD_000213 1 4 FGA GLU N Y 
PRD_000213 1 5 MDH ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000213 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 73791 
_pdbx_reference_entity_src_nat.organism_scientific   "marine sponge Thenonella swinhoie grey" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00825 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000213 2012-02-03 RCSB "Create molecule"    
PRD_000213 2012-07-09 PDBE "Other modification" 
PRD_000213 2012-12-12 RCSB "Initial release"    
PRD_000213 2013-06-03 RCSB "Other modification" 
PRD_000213 2020-07-29 RCSB "Other modification" 
PRD_000213 2023-09-20 PDBE "Modify audit"       
PRD_000213 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000214
# 
_pdbx_reference_molecule.prd_id                       PRD_000214 
_pdbx_reference_molecule.name                         NODULARIN-R 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Toxin 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C41 H61 N8 O10" 
_pdbx_reference_molecule.formula_weight               825.971 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3e7a 
# 
_pdbx_reference_entity_list.prd_id          PRD_000214 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "NATURAL TOXIN" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000214 1 1 CG ACB 1 N ARG 2 sing 1 ? ? ? 
PRD_000214 1 2 N  ACB 1 C MDH 5 sing 1 ? ? ? 
PRD_000214 1 3 C  ARG 2 N 1ZN 3 sing 1 ? ? ? 
PRD_000214 1 4 C  1ZN 3 N FGA 4 sing 1 ? ? ? 
PRD_000214 1 5 CD FGA 4 N MDH 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000214 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00279 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000214 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000214 1 1 ACB ASP N Y 
PRD_000214 1 2 ARG ARG N Y 
PRD_000214 1 3 1ZN ?   N Y 
PRD_000214 1 4 FGA GLU N Y 
PRD_000214 1 5 MDH ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000214 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 70799 
_pdbx_reference_entity_src_nat.organism_scientific   "Nodularia spumigena" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00279 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000214 2012-02-08 RCSB "Create molecule"    
PRD_000214 2012-07-09 PDBE "Other modification" 
PRD_000214 2012-12-12 RCSB "Initial release"    
PRD_000214 2013-06-03 RCSB "Other modification" 
PRD_000214 2020-07-29 RCSB "Other modification" 
PRD_000214 2023-09-20 PDBE "Modify audit"       
PRD_000214 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000215
# 
_pdbx_reference_molecule.prd_id                       PRD_000215 
_pdbx_reference_molecule.name                         DIHYDROMICROCYSTIN-LA 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Toxin 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C46 H69 N7 O12" 
_pdbx_reference_molecule.formula_weight               912.080 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2bdx 
# 
_pdbx_reference_entity_list.prd_id          PRD_000215 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "NATURAL TOXIN" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000215 1 1 C  DAL 1 N LEU 2 sing 1 ? ? ? 
PRD_000215 1 2 N  DAL 1 C MAA 7 sing 1 ? ? ? 
PRD_000215 1 3 C  LEU 2 N ACB 3 sing 1 ? ? ? 
PRD_000215 1 4 CG ACB 3 N ALA 4 sing 1 ? ? ? 
PRD_000215 1 5 C  ALA 4 N 1ZN 5 sing 1 ? ? ? 
PRD_000215 1 6 C  1ZN 5 N FGA 6 sing 1 ? ? ? 
PRD_000215 1 7 CD FGA 6 N MAA 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000215 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00106 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000215 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000215 1 1 DAL ALA N Y 
PRD_000215 1 2 LEU LEU N Y 
PRD_000215 1 3 ACB ASP N Y 
PRD_000215 1 4 ALA ALA N Y 
PRD_000215 1 5 1ZN ?   N Y 
PRD_000215 1 6 FGA GLU N Y 
PRD_000215 1 7 MAA ALA N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000215 1 1 1126  "Microcystis aeruginosa" ? NOR00106 Norine ? 
PRD_000215 1 2 44822 "Microcystis viridis"    ? NOR00106 Norine ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000215 2012-02-08 RCSB "Create molecule"    
PRD_000215 2012-07-09 PDBE "Other modification" 
PRD_000215 2012-12-12 RCSB "Initial release"    
PRD_000215 2013-06-03 RCSB "Other modification" 
PRD_000215 2020-07-29 RCSB "Other modification" 
PRD_000215 2023-09-20 PDBE "Modify audit"       
PRD_000215 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000216
# 
_pdbx_reference_molecule.prd_id                       PRD_000216 
_pdbx_reference_molecule.name                         LEUPEPTIN 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H41 N6 O5" 
_pdbx_reference_molecule.formula_weight               445.577 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2f9n 
# 
_pdbx_reference_entity_list.prd_id          PRD_000216 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         LEUPEPTIN 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000216 1 1 C ACE 1 N LEU 2 sing 1 ? ? ? 
PRD_000216 1 2 C LEU 2 N LEU 3 sing 1 ? ? ? 
PRD_000216 1 3 C LEU 3 N AR7 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000216 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00487 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000216 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000216 1 1 ACE ?   N Y 
PRD_000216 1 2 LEU LEU N Y 
PRD_000216 1 3 LEU LEU N Y 
PRD_000216 1 4 AR7 ARG N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000216 1 1 66430 "Actinomycetes Streptomyces roseus MA 839-A1" PubMed "Novel Antibiotics DataBase" 220065 ? 
PRD_000216 1 2 66430 "Actinomycetes Streptomyces roseus MB262-M1"  PubMed "Novel Antibiotics DataBase" 220065 ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000216 2012-02-08 RCSB "Create molecule"    
PRD_000216 2012-07-09 PDBE "Other modification" 
PRD_000216 2012-12-12 RCSB "Initial release"    
PRD_000216 2013-06-03 RCSB "Other modification" 
PRD_000216 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000217
# 
_pdbx_reference_molecule.prd_id                       PRD_000217 
_pdbx_reference_molecule.name                         Daptomycin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic lipopeptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C72 H101 N17 O26" 
_pdbx_reference_molecule.formula_weight               1620.671 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;DAPTOMYCIN IS A CYCLIC TRIDECAMER LIPOPETIDE.
HERE, DAPTOMYCIN IS REPRESENTED BY GROUPING TOGETHER THE
SEQUENCE (SEQRES) AND ONE LIGAND (HET) DKA.
;
_pdbx_reference_molecule.description                  
;
DAPTOMYCIN IS AN ACIDIC CYCLIC LIPOPEPTIDE.
THE SCAFFOLD IS MADE OF TWO PARTS:
(1) THREE RESIDUES N-TERM EXOCYCLIC PART
(2) A DECAPEPTIDE LACTONE RING DERIVED FROM
CYCLISATION OF THR3 SIDE CHAIN ONTO THE C-TER
CARBOXYL GROUP
THE N-DECANOYL FATTY ACID IS LINKED TO THE
MAIN BODY OF THE MOLECULE VIA N-TERM ACYLATION.
;
_pdbx_reference_molecule.representative_PDB_id_code   1xt7 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000217 1 1 polymer     "PEPTIDE LIKE SEQUENCE RESIDUES 2 TO 14" 
PRD_000217 2 2 non-polymer "FATTY ACID RESIDUE"                     
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000217 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "DECANOIC ACID" 
_pdbx_reference_entity_nonpoly.chem_comp_id    DKA 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_link.prd_id              PRD_000217 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    1 
_pdbx_reference_entity_link.comp_id_1           TRP 
_pdbx_reference_entity_link.atom_id_1           N 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    ? 
_pdbx_reference_entity_link.comp_id_2           DKA 
_pdbx_reference_entity_link.atom_id_2           C1 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             ? 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000217 1 1  C   TRP 1  N DSG 2  sing 1 ? ? ? 
PRD_000217 1 2  C   DSG 2  N ASP 3  sing 1 ? ? ? 
PRD_000217 1 3  C   ASP 3  N THR 4  sing 1 ? ? ? 
PRD_000217 1 4  OG1 THR 4  C KYN 13 sing 1 ? ? ? 
PRD_000217 1 5  C   THR 4  N GLY 5  sing 1 ? ? ? 
PRD_000217 1 6  C   GLY 5  N ORN 6  sing 1 ? ? ? 
PRD_000217 1 7  C   ORN 6  N ASP 7  sing 1 ? ? ? 
PRD_000217 1 8  C   ASP 7  N DAL 8  sing 1 ? ? ? 
PRD_000217 1 9  C   DAL 8  N ASP 9  sing 1 ? ? ? 
PRD_000217 1 10 C   ASP 9  N GLY 10 sing 1 ? ? ? 
PRD_000217 1 11 C   GLY 10 N DSN 11 sing 1 ? ? ? 
PRD_000217 1 12 C   DSN 11 N LME 12 sing 1 ? ? ? 
PRD_000217 1 13 C   LME 12 N KYN 13 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000217 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00001 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000217 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000217 1 1  TRP TRP N Y 
PRD_000217 1 2  DSG ASN N Y 
PRD_000217 1 3  ASP ASP N Y 
PRD_000217 1 4  THR THR N Y 
PRD_000217 1 5  GLY GLY N Y 
PRD_000217 1 6  ORN ARG N Y 
PRD_000217 1 7  ASP ASP N Y 
PRD_000217 1 8  DAL ALA N Y 
PRD_000217 1 9  ASP ASP N Y 
PRD_000217 1 10 GLY GLY N Y 
PRD_000217 1 11 DSN SER N Y 
PRD_000217 1 12 LME GLU N Y 
PRD_000217 1 13 KYN ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000217 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 67294 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces roseosporus" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00001 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000217 2012-02-08 RCSB "Create molecule"    
PRD_000217 2012-07-09 PDBE "Other modification" 
PRD_000217 2012-07-31 RCSB "Other modification" 
PRD_000217 2012-12-12 RCSB "Initial release"    
PRD_000217 2013-06-03 RCSB "Other modification" 
PRD_000217 2017-05-04 RCSB "Other modification" 
PRD_000217 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000219
# 
_pdbx_reference_molecule.prd_id                       PRD_000219 
_pdbx_reference_molecule.name                         "GRAMICIDIN S" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C60 H92 N12 O10" 
_pdbx_reference_molecule.formula_weight               1141.447 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;GRAMICIDIN S IS A CYCLODECAPEPTIDE, CONSTRUCTED AS TWO
IDENTICAL PENTAPEPTIDES JOINED HEAD TO TAIL, PRODUCED BY
THE GRAM POSITIVE BACTERIUM BACILLUS BREVIS
HERE, GRAMICIDIN S IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;GRAMICIDIN S IS A DECAPEPTIDE,
RESIDUES 1 AND 10 FORM A PEPTIDE BOND
RESULTING IN CYCLIZATION.
;
_pdbx_reference_molecule.representative_PDB_id_code   1tk2 
# 
_pdbx_reference_entity_list.prd_id          PRD_000219 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 10" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000219 1 1  C VAL 1 N ORN 2  sing 1 ? ? ? 
PRD_000219 1 2  N VAL 1 C PRO 10 sing 1 ? ? ? 
PRD_000219 1 3  C ORN 2 N LEU 3  sing 1 ? ? ? 
PRD_000219 1 4  C LEU 3 N DPN 4  sing 1 ? ? ? 
PRD_000219 1 5  C DPN 4 N PRO 5  sing 1 ? ? ? 
PRD_000219 1 6  C PRO 5 N VAL 6  sing 1 ? ? ? 
PRD_000219 1 7  C VAL 6 N ORN 7  sing 1 ? ? ? 
PRD_000219 1 8  C ORN 7 N LEU 8  sing 1 ? ? ? 
PRD_000219 1 9  C LEU 8 N DPN 9  sing 1 ? ? ? 
PRD_000219 1 10 C DPN 9 N PRO 10 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000219 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00249 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000219 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000219 1 1  VAL VAL N Y 
PRD_000219 1 2  ORN ARG N Y 
PRD_000219 1 3  LEU LEU N Y 
PRD_000219 1 4  DPN PHE N Y 
PRD_000219 1 5  PRO PRO N Y 
PRD_000219 1 6  VAL VAL N Y 
PRD_000219 1 7  ORN ARG N Y 
PRD_000219 1 8  LEU LEU N Y 
PRD_000219 1 9  DPN PHE N Y 
PRD_000219 1 10 PRO PRO N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000219 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1393 
_pdbx_reference_entity_src_nat.organism_scientific   "Bacillus brevis" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00249 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000219 2012-02-08 RCSB "Create molecule"    
PRD_000219 2012-07-09 PDBE "Other modification" 
PRD_000219 2012-12-12 RCSB "Initial release"    
PRD_000219 2013-06-03 RCSB "Other modification" 
PRD_000219 2017-05-04 RCSB "Other modification" 
PRD_000219 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000220
# 
_pdbx_reference_molecule.prd_id                       PRD_000220 
_pdbx_reference_molecule.name                         FEGLYMYCIN 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Antimicrobial, Antiretroviral" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C95 H97 N13 O30" 
_pdbx_reference_molecule.formula_weight               1900.90 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;THE FEGLYMYCIN IS A A LINEAR TRIDECAMER PEPTIDE
HERE, FEGLYMYCIN IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  "FEGLYMYCIN IS A LINEAR HELICAL TRIDECAMER PEPTIDE" 
_pdbx_reference_molecule.representative_PDB_id_code   1w7q 
# 
_pdbx_reference_entity_list.prd_id          PRD_000220 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 13" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000220 1 1  C GHP 1  N D3P 2  sing 1 ? ? ? 
PRD_000220 1 2  C D3P 2  N VAL 3  sing 1 ? ? ? 
PRD_000220 1 3  C VAL 3  N D3P 4  sing 1 ? ? ? 
PRD_000220 1 4  C D3P 4  N D4P 5  sing 1 ? ? ? 
PRD_000220 1 5  C D4P 5  N D3P 6  sing 1 ? ? ? 
PRD_000220 1 6  C D3P 6  N D4P 7  sing 1 ? ? ? 
PRD_000220 1 7  C D4P 7  N D3P 8  sing 1 ? ? ? 
PRD_000220 1 8  C D3P 8  N VAL 9  sing 1 ? ? ? 
PRD_000220 1 9  C VAL 9  N D3P 10 sing 1 ? ? ? 
PRD_000220 1 10 C D3P 10 N D4P 11 sing 1 ? ? ? 
PRD_000220 1 11 C D4P 11 N PHE 12 sing 1 ? ? ? 
PRD_000220 1 12 C PHE 12 N ASP 13 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000220 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR01081 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000220 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000220 1 1  GHP GLY N Y 
PRD_000220 1 2  D3P GLY N Y 
PRD_000220 1 3  VAL VAL N Y 
PRD_000220 1 4  D3P GLY N Y 
PRD_000220 1 5  D4P GLY N Y 
PRD_000220 1 6  D3P GLY N Y 
PRD_000220 1 7  D4P GLY N Y 
PRD_000220 1 8  D3P GLY N Y 
PRD_000220 1 9  VAL VAL N Y 
PRD_000220 1 10 D3P GLY N Y 
PRD_000220 1 11 D4P GLY N Y 
PRD_000220 1 12 PHE PHE N Y 
PRD_000220 1 13 ASP ASP N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000220 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1931 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces sp. DSM 11171" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR01081 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000220 2012-02-01 RCSB "Create molecule"    
PRD_000220 2012-07-09 PDBE "Other modification" 
PRD_000220 2012-11-28 RCSB "Modify class"       
PRD_000220 2012-12-12 RCSB "Initial release"    
PRD_000220 2013-06-03 RCSB "Other modification" 
PRD_000220 2017-05-04 RCSB "Other modification" 
PRD_000220 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000221
# 
_pdbx_reference_molecule.prd_id                       PRD_000221 
_pdbx_reference_molecule.name                         Nosiheptide 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Thiopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C51 H46 N13 O11 S6" 
_pdbx_reference_molecule.formula_weight               1209.381 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;Nosiheptide is a member of a sulphur-rich heterocyclic peptides class. All share a macrocylic core, consisting of a
nitrogen containing, six-membered ring central to dehydroamino acids and a subset of five member ring structures
including thiazoles, thiazolines and oxazoles. The main characteristic of the nosiheptide structure is a general
tendency to be more oxidized than the thiostrepton one. No thiazoline, or hydrogenated quinaldic precursor nor
tetrahydropyridine rings are present in nosiheptide. All the corresponding rings are unsaturated. Nosiheptide possess an
indolic acid ring system that is appended to the side chains of the Ser/Cys and a central 6-membered nitrogen
heterocycle produced by cyclization between two corresponding dehydroalanine acids with incorporation of an adjacent
carbonyl group. Thiazole formation is by nucleophilic addition of each Cys side chain to the proceeding carbonyl group
followed by dehydration and dehydrogenation. HERE, NOSIHEPTIDE IS REPRESENTED BY GROUPING TOGETHER THE SEQUENCE (SEQRES)
AND THE ONE LIGAND (HET) NO1.
;
_pdbx_reference_molecule.description                  
;NOSIHEPTIDE IS A HETROCYCLIC THIOPEPTIDE, CONSISTING OF FIVE THIAZOLES AND ONE 3-HYDROXYPYRIDINE RINGS. A MODIFIED
INDOLE RING NO1(14) IS LINKED VIA THE SIDE CHAINS OF 3-HYDROXY 3GL(6) AND CYS(8). THE OBSERVED C-TERMINAL AMINO GROUP
NH2(13) IS LIKELY TO BE A POST-TRANSLATIONAL DECARBOXYLATED REMNANT OF A SER C-TERMINAL RESIDUE
;
_pdbx_reference_molecule.representative_PDB_id_code   2zjp 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000221 1 1 polymer     "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 13" 
PRD_000221 2 2 non-polymer "MODIFIED INDOLE RING RESIDUE"           
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000221 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "4-(HYDROXYMETHYL)-3-METHYL-1H-INDOLE-2-CARBOXYLIC ACID" 
_pdbx_reference_entity_nonpoly.chem_comp_id    NO1 
_pdbx_reference_entity_nonpoly.details         ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000221 1 PN 1 6 3GL OE1 2 ? NO1 CF sing 1 2 ? ? ? 
PRD_000221 2 PN 1 8 CYS SG  2 ? NO1 C  sing 1 2 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000221 1 1  CB SER 1  CB MH6 10 sing 1 ? ? ? 
PRD_000221 1 2  C  SER 1  N  BB9 2  doub 1 ? ? ? 
PRD_000221 1 3  C  SER 1  SG BB9 2  sing 1 ? ? ? 
PRD_000221 1 4  CA SER 1  C  BB9 9  sing 1 ? ? ? 
PRD_000221 1 5  C  BB9 2  N  THR 3  sing 1 ? ? ? 
PRD_000221 1 6  C  THR 3  N  DBU 4  sing 1 ? ? ? 
PRD_000221 1 7  C  DBU 4  N  BB9 5  doub 1 ? ? ? 
PRD_000221 1 8  C  DBU 4  SG BB9 5  sing 1 ? ? ? 
PRD_000221 1 9  C  BB9 5  N  3GL 6  sing 1 ? ? ? 
PRD_000221 1 10 C  3GL 6  SG BB9 7  sing 1 ? ? ? 
PRD_000221 1 11 C  3GL 6  N  BB9 7  doub 1 ? ? ? 
PRD_000221 1 12 C  BB9 7  N  CYS 8  sing 1 ? ? ? 
PRD_000221 1 13 C  CYS 8  SG BB9 9  sing 1 ? ? ? 
PRD_000221 1 14 C  CYS 8  N  BB9 9  doub 1 ? ? ? 
PRD_000221 1 15 C  BB9 9  N  MH6 10 doub 1 ? ? ? 
PRD_000221 1 16 C  MH6 10 SG BB9 11 sing 1 ? ? ? 
PRD_000221 1 17 C  MH6 10 N  BB9 11 doub 1 ? ? ? 
PRD_000221 1 18 C  BB9 11 N  DHA 12 sing 1 ? ? ? 
PRD_000221 1 19 C  DHA 12 N  NH2 13 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000221 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         C6FX52 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000221 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000221 1 1  SER SER N Y 
PRD_000221 1 2  BB9 CYS N Y 
PRD_000221 1 3  THR THR N Y 
PRD_000221 1 4  DBU THR N Y 
PRD_000221 1 5  BB9 CYS N Y 
PRD_000221 1 6  3GL GLU N Y 
PRD_000221 1 7  BB9 CYS N Y 
PRD_000221 1 8  CYS CYS N Y 
PRD_000221 1 9  BB9 CYS N Y 
PRD_000221 1 10 MH6 SER N Y 
PRD_000221 1 11 BB9 CYS N Y 
PRD_000221 1 12 DHA SER N Y 
PRD_000221 1 13 NH2 SER N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000221 1 1 1885 "Streptomyces actuosus 40037 (NRRL 2954)" ? C12053 KEGG    ? 
PRD_000221 1 2 1885 "Streptomyces actuosus"                   ? C6FX52 UniProt ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000221 2012-02-08 RCSB "Create molecule"    
PRD_000221 2012-07-09 PDBE "Other modification" 
PRD_000221 2012-07-31 RCSB "Other modification" 
PRD_000221 2012-12-12 RCSB "Initial release"    
PRD_000221 2013-06-03 RCSB "Other modification" 
PRD_000221 2017-05-04 RCSB "Other modification" 
PRD_000221 2020-07-29 RCSB "Other modification" 
PRD_000221 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000222
# 
_pdbx_reference_molecule.prd_id                       PRD_000222 
_pdbx_reference_molecule.name                         "RAMOPLANIN A2" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Lipoglycopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C119 H154 Cl N21 O40" 
_pdbx_reference_molecule.formula_weight               2554.066 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;RAMOPLANIN IS A CYCLIC LIPOGLYCOPEPTIDE.
HERE, RAMOPLANIN IS REPRESENTED BY GROUPING TOGETHER THE
SEQUENCE (SEQRES) A FATTY ACID (FA7) AND TWO LIGANDS (HET) MAN.
;
_pdbx_reference_molecule.description                  
;RAMOPLANIN A2 IS A CYCLIC HEPTADECAMER
LIPOGLYCODEPSIPEPTIDE.
THE SCAFFOLD IS A HEPTA CYCLIC PEPTIDE
GLYCOSYLATED BY ONE DISACCHARIDE AND A FATTY ACID
AT THE N-TERM.
;
_pdbx_reference_molecule.representative_PDB_id_code   1dsr 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000222 1 1 polymer     "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 17" 
PRD_000222 2 2 non-polymer "SUGAR RESIDUES MAN"                     
PRD_000222 2 3 non-polymer "SUGAR RESIDUES MAN"                     
PRD_000222 3 4 non-polymer "FATTY ACID RESIDUE FA7"                 
# 
loop_
_pdbx_reference_entity_nonpoly.prd_id 
_pdbx_reference_entity_nonpoly.ref_entity_id 
_pdbx_reference_entity_nonpoly.name 
_pdbx_reference_entity_nonpoly.chem_comp_id 
_pdbx_reference_entity_nonpoly.details 
PRD_000222 2 ALPHA-D-MANNOSE                         MAN ? 
PRD_000222 3 "(2Z,4E)-7-methylocta-2,4-dienoic acid" FA7 ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000222 1 PN 1 1  ASN N  3 ? FA7 C1 sing 1 4 ? ? ? 
PRD_000222 2 PN 1 11 D4P O4 2 ? MAN C1 sing 1 2 ? ? ? 
PRD_000222 3 NN 2 ?  MAN O2 2 ? MAN C1 sing 2 3 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000222 1 1  C  ASN 1  N AHB 2  sing 1 ? ? ? 
PRD_000222 1 2  OB AHB 2  C CHP 17 sing 1 ? ? ? 
PRD_000222 1 3  C  AHB 2  N GHP 3  sing 1 ? ? ? 
PRD_000222 1 4  C  GHP 3  N ORD 4  sing 1 ? ? ? 
PRD_000222 1 5  C  ORD 4  N 2TL 5  sing 1 ? ? ? 
PRD_000222 1 6  C  2TL 5  N D4P 6  sing 1 ? ? ? 
PRD_000222 1 7  C  D4P 6  N GHP 7  sing 1 ? ? ? 
PRD_000222 1 8  C  GHP 7  N ALO 8  sing 1 ? ? ? 
PRD_000222 1 9  C  ALO 8  N PHE 9  sing 1 ? ? ? 
PRD_000222 1 10 C  PHE 9  N ORD 10 sing 1 ? ? ? 
PRD_000222 1 11 C  ORD 10 N D4P 11 sing 1 ? ? ? 
PRD_000222 1 12 C  D4P 11 N 2TL 12 sing 1 ? ? ? 
PRD_000222 1 13 C  2TL 12 N D4P 13 sing 1 ? ? ? 
PRD_000222 1 14 C  D4P 13 N GLY 14 sing 1 ? ? ? 
PRD_000222 1 15 C  GLY 14 N LEU 15 sing 1 ? ? ? 
PRD_000222 1 16 C  LEU 15 N DAL 16 sing 1 ? ? ? 
PRD_000222 1 17 C  DAL 16 N CHP 17 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000222 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00844 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000222 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000222 1 1  ASN ASN N Y 
PRD_000222 1 2  AHB ASN N Y 
PRD_000222 1 3  GHP GLY N Y 
PRD_000222 1 4  ORD ARG N Y 
PRD_000222 1 5  2TL THR N Y 
PRD_000222 1 6  D4P GLY N Y 
PRD_000222 1 7  GHP GLY N Y 
PRD_000222 1 8  ALO THR N Y 
PRD_000222 1 9  PHE PHE N Y 
PRD_000222 1 10 ORD ARG N Y 
PRD_000222 1 11 D4P GLY N Y 
PRD_000222 1 12 2TL THR N Y 
PRD_000222 1 13 D4P GLY N Y 
PRD_000222 1 14 GLY GLY N Y 
PRD_000222 1 15 LEU LEU N Y 
PRD_000222 1 16 DAL ALA N Y 
PRD_000222 1 17 CHP GLY N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000222 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1971 
_pdbx_reference_entity_src_nat.organism_scientific   "Actinoplanes strain ATCC 33076" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00844 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000222 2012-02-03 RCSB "Create molecule"    
PRD_000222 2012-07-09 PDBE "Other modification" 
PRD_000222 2012-07-31 RCSB "Other modification" 
PRD_000222 2012-12-12 RCSB "Initial release"    
PRD_000222 2013-06-03 RCSB "Other modification" 
PRD_000222 2017-05-04 RCSB "Other modification" 
PRD_000222 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000223
# 
_pdbx_reference_molecule.prd_id                       PRD_000223 
_pdbx_reference_molecule.name                         THIOSTREPTON 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Thiopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C72 H84 N19 O18 S5" 
_pdbx_reference_molecule.formula_weight               1663.879 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;THIOSTREPTON IS A MEMBER OF A SULPHUR-RICH HETEROCYCLIC PEPTIDES
CLASS. ALL SHARE A MACROCYLIC CORE, CONSISTING OF A
NITROGEN CONTAINING, SIX-MEMBERED RING CENTRAL TO DEHYDROAMINO
ACIDS AND A SUBSET OF FIVE MEMBER RING STRUCTURES INCLUDING
THIAZOLES, THIAZOLINES AND OXAZOLES.
HERE, THIOSTREPTON IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;Thiostrepton is a hetrocyclic thiopeptide belonging to the
thiocillin family, consisting of four thiazole, one thiozoline and one
piperideine rings. A modified quinoline linked to main-chain residue 1
and side-chain of residue 12. Post translational maturation of
thiazole and oxazole containing antibiotics involves the enzymic
condensation of a Cys or Ser with the alpha-carbonyl of the preceding
amino acid to form a thioether or ether bond, then dehydration to form
a double bond with the alpha-amino nitrogen. Thiazoline or oxazoline
ring are dehydrogenated to form thiazole or oxazole rings. the
pyridinyl involves the cross-linking of a Ser and a Cys-Ser pair
usually separated by 7 or 8 residues along the peptide chain. The Ser
residues are dehydrated to didehydroalanines, then bonded between
their beta carbons. The alpha carbonyl of the Cys condenses with alpha
carbon of the first Ser to form a pyridinyl ring. The ring may be
mutiply dehydrogenated to form a pyridine ring with loss of the amino
nitrogen of the first Ser. The amidation of Ser-17 probably does not
occur by the same mechanism, oxidative cleavage of glycine, as in
eukaryotes.
;
_pdbx_reference_molecule.representative_PDB_id_code   1e9w 
# 
_pdbx_reference_entity_list.prd_id          PRD_000223 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 0 TO 18" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000223 1 1  C11 QUA 1  OG1 THR 13 sing 1 ? ? ? 
PRD_000223 1 2  C7  QUA 1  N   ILE 2  sing 1 ? ? ? 
PRD_000223 1 3  C   ILE 2  N   ALA 3  sing 1 ? ? ? 
PRD_000223 1 4  C   ALA 3  N   DHA 4  sing 1 ? ? ? 
PRD_000223 1 5  C   DHA 4  N   ALA 5  sing 1 ? ? ? 
PRD_000223 1 6  C   ALA 5  N   SER 6  sing 1 ? ? ? 
PRD_000223 1 7  C   SER 6  SG  BB9 7  sing 1 ? ? ? 
PRD_000223 1 8  CA  SER 6  C   BB9 14 sing 1 ? ? ? 
PRD_000223 1 9  CB  SER 6  CB  MH6 15 sing 1 ? ? ? 
PRD_000223 1 10 C   SER 6  N   BB9 7  doub 1 ? ? ? 
PRD_000223 1 11 C   BB9 7  N   THR 8  sing 1 ? ? ? 
PRD_000223 1 12 C   THR 8  N   DBU 9  sing 1 ? ? ? 
PRD_000223 1 13 C   DBU 9  SG  DCY 10 sing 1 ? ? ? 
PRD_000223 1 14 C   DBU 9  N   DCY 10 doub 1 ? ? ? 
PRD_000223 1 15 C   DCY 10 N   TS9 11 sing 1 ? ? ? 
PRD_000223 1 16 C   TS9 11 SG  BB9 12 sing 1 ? ? ? 
PRD_000223 1 17 C   TS9 11 N   BB9 12 doub 1 ? ? ? 
PRD_000223 1 18 C   BB9 12 N   THR 13 sing 1 ? ? ? 
PRD_000223 1 19 C   THR 13 SG  BB9 14 sing 1 ? ? ? 
PRD_000223 1 20 C   THR 13 N   BB9 14 doub 1 ? ? ? 
PRD_000223 1 21 C   BB9 14 N   MH6 15 sing 1 ? ? ? 
PRD_000223 1 22 C   MH6 15 SG  BB9 16 sing 1 ? ? ? 
PRD_000223 1 23 C   MH6 15 N   BB9 16 doub 1 ? ? ? 
PRD_000223 1 24 C   BB9 16 N   DHA 17 sing 1 ? ? ? 
PRD_000223 1 25 C   DHA 17 N   DHA 18 sing 1 ? ? ? 
PRD_000223 1 26 C   DHA 18 N   NH2 19 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000223 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         P0C8P8 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000223 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000223 1 1  QUA ?   N Y 
PRD_000223 1 2  ILE ILE N Y 
PRD_000223 1 3  ALA ALA N Y 
PRD_000223 1 4  DHA SER N Y 
PRD_000223 1 5  ALA ALA N Y 
PRD_000223 1 6  SER SER N Y 
PRD_000223 1 7  BB9 CYS N Y 
PRD_000223 1 8  THR THR N Y 
PRD_000223 1 9  DBU THR N Y 
PRD_000223 1 10 DCY CYS N Y 
PRD_000223 1 11 TS9 ILE N Y 
PRD_000223 1 12 BB9 CYS N Y 
PRD_000223 1 13 THR THR N Y 
PRD_000223 1 14 BB9 CYS N Y 
PRD_000223 1 15 MH6 SER N Y 
PRD_000223 1 16 BB9 CYS N Y 
PRD_000223 1 17 DHA SER N Y 
PRD_000223 1 18 DHA SER N Y 
PRD_000223 1 19 NH2 ?   N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000223 1 1 146537 "Streptomyces azureus MST-AS4632" ? P0C8P8 UniProtKB ? 
PRD_000223 1 2 67305  "Streptomyces hawaiiensis"        ? P0C8P8 UniProtKB ? 
PRD_000223 1 3 39478  "Streptomyces laurentii"          ? P0C8P8 UniProtKB ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000223 2012-02-08 RCSB "Create molecule"    
PRD_000223 2012-07-09 PDBE "Other modification" 
PRD_000223 2012-12-12 RCSB "Initial release"    
PRD_000223 2013-06-03 RCSB "Other modification" 
PRD_000223 2017-05-04 RCSB "Other modification" 
PRD_000223 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000224
# 
_pdbx_reference_molecule.prd_id                       PRD_000224 
_pdbx_reference_molecule.name                         "Polytheonamide B" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Anticancer 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C219 H376 N60 O72 S" 
_pdbx_reference_molecule.formula_weight               5033.75 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2rqo 
# 
_pdbx_reference_entity_list.prd_id          PRD_000224 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "POLYTHEONAMIDE B" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000224 1 1  C MHE 1  N GLY 2  sing 1 ? ? ? 
PRD_000224 1 2  C GLY 2  N I2M 3  sing 1 ? ? ? 
PRD_000224 1 3  C I2M 3  N GLY 4  sing 1 ? ? ? 
PRD_000224 1 4  C GLY 4  N TBG 5  sing 1 ? ? ? 
PRD_000224 1 5  C TBG 5  N TDD 6  sing 1 ? ? ? 
PRD_000224 1 6  C TDD 6  N TBG 7  sing 1 ? ? ? 
PRD_000224 1 7  C TBG 7  N DAL 8  sing 1 ? ? ? 
PRD_000224 1 8  C DAL 8  N TBG 9  sing 1 ? ? ? 
PRD_000224 1 9  C TBG 9  N TDD 10 sing 1 ? ? ? 
PRD_000224 1 10 C TDD 10 N ALA 11 sing 1 ? ? ? 
PRD_000224 1 11 C ALA 11 N GLY 12 sing 1 ? ? ? 
PRD_000224 1 12 C GLY 12 N ALA 13 sing 1 ? ? ? 
PRD_000224 1 13 C ALA 13 N TDD 14 sing 1 ? ? ? 
PRD_000224 1 14 C TDD 14 N ALA 15 sing 1 ? ? ? 
PRD_000224 1 15 C ALA 15 N MND 16 sing 1 ? ? ? 
PRD_000224 1 16 C MND 16 N HVA 17 sing 1 ? ? ? 
PRD_000224 1 17 C HVA 17 N GLY 18 sing 1 ? ? ? 
PRD_000224 1 18 C GLY 18 N ALA 19 sing 1 ? ? ? 
PRD_000224 1 19 C ALA 19 N GLY 20 sing 1 ? ? ? 
PRD_000224 1 20 C GLY 20 N TBG 21 sing 1 ? ? ? 
PRD_000224 1 21 C TBG 21 N MND 22 sing 1 ? ? ? 
PRD_000224 1 22 C MND 22 N LMQ 23 sing 1 ? ? ? 
PRD_000224 1 23 C LMQ 23 N DHV 24 sing 1 ? ? ? 
PRD_000224 1 24 C DHV 24 N ALA 25 sing 1 ? ? ? 
PRD_000224 1 25 C ALA 25 N GLY 26 sing 1 ? ? ? 
PRD_000224 1 26 C GLY 26 N GLY 27 sing 1 ? ? ? 
PRD_000224 1 27 C GLY 27 N MND 28 sing 1 ? ? ? 
PRD_000224 1 28 C MND 28 N ILE 29 sing 1 ? ? ? 
PRD_000224 1 29 C ILE 29 N HTN 30 sing 1 ? ? ? 
PRD_000224 1 30 C HTN 30 N TBG 31 sing 1 ? ? ? 
PRD_000224 1 31 C TBG 31 N DHV 32 sing 1 ? ? ? 
PRD_000224 1 32 C DHV 32 N GLY 33 sing 1 ? ? ? 
PRD_000224 1 33 C GLY 33 N MND 34 sing 1 ? ? ? 
PRD_000224 1 34 C MND 34 N ILE 35 sing 1 ? ? ? 
PRD_000224 1 35 C ILE 35 N MND 36 sing 1 ? ? ? 
PRD_000224 1 36 C MND 36 N VAL 37 sing 1 ? ? ? 
PRD_000224 1 37 C VAL 37 N HTN 38 sing 1 ? ? ? 
PRD_000224 1 38 C HTN 38 N ALA 39 sing 1 ? ? ? 
PRD_000224 1 39 C ALA 39 N MND 40 sing 1 ? ? ? 
PRD_000224 1 40 C MND 40 N VAL 41 sing 1 ? ? ? 
PRD_000224 1 41 C VAL 41 N DSN 42 sing 1 ? ? ? 
PRD_000224 1 42 C DSN 42 N VAL 43 sing 1 ? ? ? 
PRD_000224 1 43 C VAL 43 N DSG 44 sing 1 ? ? ? 
PRD_000224 1 44 C DSG 44 N M2S 45 sing 1 ? ? ? 
PRD_000224 1 45 C M2S 45 N DSG 46 sing 1 ? ? ? 
PRD_000224 1 46 C DSG 46 N GLN 47 sing 1 ? ? ? 
PRD_000224 1 47 C GLN 47 N 2TL 48 sing 1 ? ? ? 
PRD_000224 1 48 C 2TL 48 N THR 49 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000224 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00669 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000224 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000224 1 1  MHE ?   N Y 
PRD_000224 1 2  GLY GLY N Y 
PRD_000224 1 3  I2M ILE N Y 
PRD_000224 1 4  GLY GLY N Y 
PRD_000224 1 5  TBG GLY N Y 
PRD_000224 1 6  TDD ?   N Y 
PRD_000224 1 7  TBG GLY N Y 
PRD_000224 1 8  DAL ALA N Y 
PRD_000224 1 9  TBG GLY N Y 
PRD_000224 1 10 TDD ?   N Y 
PRD_000224 1 11 ALA ALA N Y 
PRD_000224 1 12 GLY GLY N Y 
PRD_000224 1 13 ALA ALA N Y 
PRD_000224 1 14 TDD ?   N Y 
PRD_000224 1 15 ALA ALA N Y 
PRD_000224 1 16 MND ASN N Y 
PRD_000224 1 17 HVA VAL N Y 
PRD_000224 1 18 GLY GLY N Y 
PRD_000224 1 19 ALA ALA N Y 
PRD_000224 1 20 GLY GLY N Y 
PRD_000224 1 21 TBG GLY N Y 
PRD_000224 1 22 MND ASN N Y 
PRD_000224 1 23 LMQ GLN N Y 
PRD_000224 1 24 DHV VAL N Y 
PRD_000224 1 25 ALA ALA N Y 
PRD_000224 1 26 GLY GLY N Y 
PRD_000224 1 27 GLY GLY N Y 
PRD_000224 1 28 MND ASN N Y 
PRD_000224 1 29 ILE ILE N Y 
PRD_000224 1 30 HTN ASN N Y 
PRD_000224 1 31 TBG GLY N Y 
PRD_000224 1 32 DHV VAL N Y 
PRD_000224 1 33 GLY GLY N Y 
PRD_000224 1 34 MND ASN N Y 
PRD_000224 1 35 ILE ILE N Y 
PRD_000224 1 36 MND ASN N Y 
PRD_000224 1 37 VAL VAL N Y 
PRD_000224 1 38 HTN ASN N Y 
PRD_000224 1 39 ALA ALA N Y 
PRD_000224 1 40 MND ASN N Y 
PRD_000224 1 41 VAL VAL N Y 
PRD_000224 1 42 DSN SER N Y 
PRD_000224 1 43 VAL VAL N Y 
PRD_000224 1 44 DSG ASN N Y 
PRD_000224 1 45 M2S ?   N Y 
PRD_000224 1 46 DSG ASN N Y 
PRD_000224 1 47 GLN GLN N Y 
PRD_000224 1 48 2TL THR N Y 
PRD_000224 1 49 THR THR N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000224 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 ? 
_pdbx_reference_entity_src_nat.organism_scientific   "Theonella swinhoei" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00669 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000224 2012-02-01 RCSB "Create molecule"    
PRD_000224 2012-07-09 PDBE "Other modification" 
PRD_000224 2012-12-12 RCSB "Initial release"    
PRD_000224 2013-06-03 RCSB "Other modification" 
PRD_000224 2023-09-20 PDBE "Modify audit"       
PRD_000224 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000225
# 
_pdbx_reference_molecule.prd_id                       PRD_000225 
_pdbx_reference_molecule.name                         GE2270a 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Thiopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C56 H58 N15 O10 S6" 
_pdbx_reference_molecule.formula_weight               1293.544 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;GEA2270A is a member of a sulphur-rich heterocyclic peptides
class. All members share a macrocylic core, consisting of a nitrogen
containing, six-membered ring central to dehydroamino acids and a
subset of five member ring structures including thiazoles, thiazolines
and oxazoles. Post translational maturation of thiazole and oxazole
containing antibiotics involves the enzymic condensation of a Cys or
Ser with the alpha- carbonyl of the preceding amino acid to form a
thioether or ether bond, then dehydration to form a double bond with
the alpha-amino nitrogen. Thiazoline or oxazoline ring are
dehydrogenated to form thiazole or oxazole rings. In addition
cross-linking of a Ser and a Cys-Ser pair usually separated by 7 or 8
residues along the peptide chain produce a pyridinyl ring. The Ser
residues are dehydrated to didehydroalanines, then bonded between
their beta carbons. The alpha carbonyl of the Cys condenses with alpha
carbon of the first Ser to form a pyridinyl ring. The ring may be
mutiply dehydrogenated to form a pyridine ring with loss of the amino
nitrogen of the first Ser.  Several isomers are produced. The
structural differences between them lie in the extent of the
modifications, methylation, methoxylation, and oxidation of the
thiazole and oxazole rings, and methylation of asparagine.  The
amidation of Pro-14 probably does not occur by the same mechanism,
oxidative cleavage of glycine, as in eukaryotes.
;
_pdbx_reference_molecule.description                  
;GEA2270A IS A THIOPEPTIDE CONSISTING OF ONE
PYRIDINE, ONE OXAZOLE AND FIVE THIAZOLE RINGS.
THE OBSERVED C-TERMINAL AMINO GROUP NH2(15) IS
LIKELY TO BE A POST-TRANSLATIONAL DECARBOXYLATED
REMNANT OF A SER C-TERMINAL RESIDUE.
;
_pdbx_reference_molecule.representative_PDB_id_code   1d8t 
# 
_pdbx_reference_entity_list.prd_id          PRD_000225 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 15" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000225 1 1  CA SER 1  C  BB9 10 sing 1 ? ? ? 
PRD_000225 1 2  C  SER 1  SG BB9 2  sing 1 ? ? ? 
PRD_000225 1 3  C  SER 1  N  BB9 2  doub 1 ? ? ? 
PRD_000225 1 4  CB SER 1  CB MH6 11 sing 1 ? ? ? 
PRD_000225 1 5  C  BB9 2  N  MEN 3  sing 1 ? ? ? 
PRD_000225 1 6  C  MEN 3  SG BB6 4  sing 1 ? ? ? 
PRD_000225 1 7  C  MEN 3  N  BB6 4  doub 1 ? ? ? 
PRD_000225 1 8  C  BB6 4  N  VAL 5  sing 1 ? ? ? 
PRD_000225 1 9  C  VAL 5  SG BB7 6  sing 1 ? ? ? 
PRD_000225 1 10 C  VAL 5  N  BB7 6  doub 1 ? ? ? 
PRD_000225 1 11 C  BB7 6  N  GLY 7  sing 1 ? ? ? 
PRD_000225 1 12 C  GLY 7  N  BB8 8  sing 1 ? ? ? 
PRD_000225 1 13 C  BB8 8  N  BB9 9  doub 1 ? ? ? 
PRD_000225 1 14 C  BB8 8  SG BB9 9  sing 1 ? ? ? 
PRD_000225 1 15 C  BB9 9  SG BB9 10 sing 1 ? ? ? 
PRD_000225 1 16 C  BB9 9  N  BB9 10 doub 1 ? ? ? 
PRD_000225 1 17 C  BB9 10 N  MH6 11 doub 1 ? ? ? 
PRD_000225 1 18 C  MH6 11 SG BB9 12 sing 1 ? ? ? 
PRD_000225 1 19 C  MH6 11 N  BB9 12 doub 1 ? ? ? 
PRD_000225 1 20 C  BB9 12 OG SER 13 sing 1 ? ? ? 
PRD_000225 1 21 C  BB9 12 N  SER 13 doub 1 ? ? ? 
PRD_000225 1 22 C  SER 13 N  PRO 14 sing 1 ? ? ? 
PRD_000225 1 23 C  PRO 14 N  NH2 15 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000225 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         Q7M0J8 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000225 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000225 1 1  SER SER N Y 
PRD_000225 1 2  BB9 CYS N Y 
PRD_000225 1 3  MEN ASN N Y 
PRD_000225 1 4  BB6 CYS N Y 
PRD_000225 1 5  VAL VAL N Y 
PRD_000225 1 6  BB7 CYS N Y 
PRD_000225 1 7  GLY GLY N Y 
PRD_000225 1 8  BB8 PHE N Y 
PRD_000225 1 9  BB9 CYS N Y 
PRD_000225 1 10 BB9 CYS N Y 
PRD_000225 1 11 MH6 SER N Y 
PRD_000225 1 12 BB9 CYS N Y 
PRD_000225 1 13 SER SER N Y 
PRD_000225 1 14 PRO PRO N Y 
PRD_000225 1 15 NH2 ?   N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000225 1 1 35762 "Planobispora rosea" ? 440127 NADB    ? 
PRD_000225 1 2 35762 "Planobispora rosea" ? Q7M0J8 UniProt ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000225 2012-02-03 RCSB "Create molecule"    
PRD_000225 2012-07-09 PDBE "Other modification" 
PRD_000225 2012-12-12 RCSB "Initial release"    
PRD_000225 2013-06-03 RCSB "Other modification" 
PRD_000225 2017-05-04 RCSB "Other modification" 
PRD_000225 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000226
# 
_pdbx_reference_molecule.prd_id                       PRD_000226 
_pdbx_reference_molecule.name                         Viomycin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H43 N13 O10" 
_pdbx_reference_molecule.formula_weight               685.690 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3knj 
# 
_pdbx_reference_entity_list.prd_id          PRD_000226 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 6" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000226 1 1 C  KBE 1 N DPP 2 sing 1 ? ? ? 
PRD_000226 1 2 C  DPP 2 N SER 3 sing 1 ? ? ? 
PRD_000226 1 3 NG DPP 2 C 5OH 6 sing 1 ? ? ? 
PRD_000226 1 4 C  SER 3 N SER 4 sing 1 ? ? ? 
PRD_000226 1 5 C  SER 4 N UAL 5 sing 1 ? ? ? 
PRD_000226 1 6 C  UAL 5 N 5OH 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000226 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00633 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000226 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000226 1 1 KBE LYS N Y 
PRD_000226 1 2 DPP ALA N Y 
PRD_000226 1 3 SER SER N Y 
PRD_000226 1 4 SER SER N Y 
PRD_000226 1 5 UAL ?   N Y 
PRD_000226 1 6 5OH ALA N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000226 1 1 1883  Streptomyces            ? NOR00633 NORINE ? 
PRD_000226 1 2 67351 "Streptomyces puniceus" ? NOR00633 NORINE ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000226 2012-02-08 RCSB "Create molecule"    
PRD_000226 2012-07-09 PDBE "Other modification" 
PRD_000226 2012-12-12 RCSB "Initial release"    
PRD_000226 2013-06-03 RCSB "Other modification" 
PRD_000226 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000227
# 
_pdbx_reference_molecule.prd_id                       PRD_000227 
_pdbx_reference_molecule.name                         "VIRGINIAMYCIN S1" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Antibiotic, Antimicrobial" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C43 H49 N7 O10" 
_pdbx_reference_molecule.formula_weight               823.890 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  
;VIRGINIAMYCIN S1 IS A CYLIC HEPTAPEPTIDE. THE RING IS GENERATED BY LINKING RESIDUE 2 SIDE-CHAIN AND RESIDUE 7
MAIN-CHAIN.
;
_pdbx_reference_molecule.representative_PDB_id_code   1yit 
# 
_pdbx_reference_entity_list.prd_id          PRD_000227 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 7" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000227 1 1 C   MHW 1 N THR 2 sing 1 ? ? ? 
PRD_000227 1 2 C   THR 2 N DBB 3 sing 1 ? ? ? 
PRD_000227 1 3 OG1 THR 2 C 004 7 sing 1 ? ? ? 
PRD_000227 1 4 C   DBB 3 N PRO 4 sing 1 ? ? ? 
PRD_000227 1 5 C   PRO 4 N MEA 5 sing 1 ? ? ? 
PRD_000227 1 6 C   MEA 5 N MHV 6 sing 1 ? ? ? 
PRD_000227 1 7 C   MHV 6 N 004 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000227 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00679 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000227 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000227 1 1 MHW ?   N Y 
PRD_000227 1 2 THR THR N Y 
PRD_000227 1 3 DBB ALA N Y 
PRD_000227 1 4 PRO PRO N Y 
PRD_000227 1 5 MEA PHE N Y 
PRD_000227 1 6 MHV ?   N Y 
PRD_000227 1 7 004 GLY N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000227 1 1 1961  "Streptomyces virginiae"      ?     NOR00679 Norine ? 
PRD_000227 1 2 68212 "Streptomyces graminofaciens" Merck ?        ?      ? 
PRD_000227 1 3 1961  "Streptomyces virginiae"      Merck ?        ?      ? 
PRD_000227 1 4 68248 "Streptomyces ostreogriseus"  Merck ?        ?      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000227 2012-02-08 RCSB "Create molecule"    
PRD_000227 2012-07-09 PDBE "Other modification" 
PRD_000227 2012-07-31 RCSB "Other modification" 
PRD_000227 2012-11-28 RCSB "Modify class"       
PRD_000227 2012-12-12 RCSB "Initial release"    
PRD_000227 2013-06-03 RCSB "Other modification" 
PRD_000227 2017-05-04 RCSB "Other modification" 
PRD_000227 2020-07-29 RCSB "Other modification" 
PRD_000227 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000228
# 
_pdbx_reference_molecule.prd_id                       PRD_000228 
_pdbx_reference_molecule.name                         JG-365 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C42 H68 N8 O11" 
_pdbx_reference_molecule.formula_weight               861.036 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2j9j 
# 
_pdbx_reference_entity_list.prd_id          PRD_000228 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "INHIBITOR JG-365" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000228 1 1 C ACE 1 N SER 2 sing 1 ? ? ? 
PRD_000228 1 2 C SER 2 N LEU 3 sing 1 ? ? ? 
PRD_000228 1 3 C LEU 3 N ASN 4 sing 1 ? ? ? 
PRD_000228 1 4 C ASN 4 N JG3 5 sing 1 ? ? ? 
PRD_000228 1 5 C JG3 5 N ILE 6 sing 1 ? ? ? 
PRD_000228 1 6 C ILE 6 N VME 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000228 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000228 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000228 1 1 ACE ?   N N 
PRD_000228 1 2 SER SER N Y 
PRD_000228 1 3 LEU LEU N Y 
PRD_000228 1 4 ASN ASN N Y 
PRD_000228 1 5 JG3 PRO N Y 
PRD_000228 1 6 ILE ILE N Y 
PRD_000228 1 7 VME VAL N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000228 2012-02-03 RCSB "Create molecule"    
PRD_000228 2012-07-09 PDBE "Other modification" 
PRD_000228 2012-12-12 RCSB "Initial release"    
PRD_000228 2013-06-03 RCSB "Other modification" 
PRD_000228 2020-07-29 RCSB "Other modification" 
PRD_000228 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000229
# 
_pdbx_reference_molecule.prd_id                       PRD_000229 
_pdbx_reference_molecule.name                         "BILC 821" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H44 I N5 O6" 
_pdbx_reference_molecule.formula_weight               709.615 
_pdbx_reference_molecule.chem_comp_id                 01E 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2wpo 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000229 
_pdbx_reference_entity_subcomponents.seq            "DTG TBG ASM 0ML" 
_pdbx_reference_entity_subcomponents.chem_comp_id   01E 
# 
_pdbx_reference_entity_list.prd_id          PRD_000229 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000229 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000229 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000229 1 1 DTG .   N Y 
PRD_000229 1 2 TBG VAL N Y 
PRD_000229 1 3 ASM .   N Y 
PRD_000229 1 4 0ML .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000229 1 1 1 C DTG 1 N TBG 2 SING ? ? ? 
PRD_000229 1 1 2 C TBG 2 N ASM 3 SING ? ? ? 
PRD_000229 1 1 3 C ASM 3 N 0ML 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000229 2012-02-08 RCSB "Create molecule"    
PRD_000229 2012-05-01 RCSB "Other modification" 
PRD_000229 2012-07-09 PDBE "Other modification" 
PRD_000229 2012-12-12 RCSB "Initial release"    
PRD_000229 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000230
# 
_pdbx_reference_molecule.prd_id                       PRD_000230 
_pdbx_reference_molecule.name                         "N-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alanylglycinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 N4 O5" 
_pdbx_reference_molecule.formula_weight               302.327 
_pdbx_reference_molecule.chem_comp_id                 01S 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1jaq 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000230 
_pdbx_reference_entity_subcomponents.seq            "HMI ALA GLY NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   01S 
# 
_pdbx_reference_entity_list.prd_id          PRD_000230 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000230 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000230 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000230 1 1 HMI .   N Y 
PRD_000230 1 2 ALA ALA N Y 
PRD_000230 1 3 GLY GLY N Y 
PRD_000230 1 4 NH2 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000230 1 1 1 C HMI 1 N ALA 2 SING ? ? ? 
PRD_000230 1 1 2 C ALA 2 N GLY 3 SING ? ? ? 
PRD_000230 1 1 3 C GLY 3 N NH2 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000230 2012-02-08 RCSB "Create molecule"    
PRD_000230 2012-05-01 RCSB "Other modification" 
PRD_000230 2012-07-09 PDBE "Other modification" 
PRD_000230 2012-12-12 RCSB "Initial release"    
PRD_000230 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000231
# 
_pdbx_reference_molecule.prd_id                       PRD_000231 
_pdbx_reference_molecule.name                         "N-acetyl-L-alpha-aspartyl-L-alpha-glutamyl-N-[(1S)-1-(carboxymethyl)-2-oxo-5-phenylpentyl]-L-valinamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H40 N4 O11" 
_pdbx_reference_molecule.formula_weight               620.648 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1rhk 
# 
_pdbx_reference_entity_list.prd_id          PRD_000231 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "A PHENYL-PROPYL-KETONE INHIBITOR COVALENTLY BOUND TO PROTEIN AT A CYS" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000231 1 1 C ACE 1 N ASP 2 sing 1 ? ? ? 
PRD_000231 1 2 C ASP 2 N GLU 3 sing 1 ? ? ? 
PRD_000231 1 3 C GLU 3 N VAL 4 sing 1 ? ? ? 
PRD_000231 1 4 C VAL 4 N FPR 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000231 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000231 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000231 1 1 ACE ?   N Y 
PRD_000231 1 2 ASP ASP N Y 
PRD_000231 1 3 GLU GLU N Y 
PRD_000231 1 4 VAL VAL N Y 
PRD_000231 1 5 FPR PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000231 2012-02-01 RCSB "Create molecule"    
PRD_000231 2012-07-09 PDBE "Other modification" 
PRD_000231 2012-12-12 RCSB "Initial release"    
PRD_000231 2013-06-03 RCSB "Other modification" 
PRD_000231 2020-07-29 RCSB "Other modification" 
PRD_000231 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000232
# 
_pdbx_reference_molecule.prd_id                       PRD_000232 
_pdbx_reference_molecule.name                         "N-[(2S)-2-benzyl-3-sulfanylpropanoyl]-L-alanylglycinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C15 H21 N3 O3 S" 
_pdbx_reference_molecule.formula_weight               323.411 
_pdbx_reference_molecule.chem_comp_id                 0D3 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1jao 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000232 
_pdbx_reference_entity_subcomponents.seq            "BTP ALA GLY NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0D3 
# 
_pdbx_reference_entity_list.prd_id          PRD_000232 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000232 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000232 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000232 1 1 BTP .   N Y 
PRD_000232 1 2 ALA ALA N Y 
PRD_000232 1 3 GLY GLY N Y 
PRD_000232 1 4 NH2 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000232 1 1 1 C1 BTP 1 N ALA 2 SING ? ? ? 
PRD_000232 1 1 2 C  ALA 2 N GLY 3 SING ? ? ? 
PRD_000232 1 1 3 C  GLY 3 N NH2 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000232 2012-02-08 RCSB "Create molecule"    
PRD_000232 2012-05-01 RCSB "Other modification" 
PRD_000232 2012-07-09 PDBE "Other modification" 
PRD_000232 2012-12-12 RCSB "Initial release"    
PRD_000232 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000233
# 
_pdbx_reference_molecule.prd_id                       PRD_000233 
_pdbx_reference_molecule.name                         
;N-acetyl-3-cyclohexyl-L-alanyl-N~5~-[amino(iminio)methyl]-L-ornithyl-L-alanyl-L-methionyl-S-[(acetylamino)methyl]-L-
cysteinyl-L-seryl-L-leucinamide
;
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C40 H73 N12 O10 S2" 
_pdbx_reference_molecule.formula_weight               946.212 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1d5m 
# 
_pdbx_reference_entity_list.prd_id          PRD_000233 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE MIMETIC INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000233 1 1 C ACE 1 N ALC 2 sing 1 ? ? ? 
PRD_000233 1 2 C ALC 2 N ARG 3 sing 1 ? ? ? 
PRD_000233 1 3 C ARG 3 N ALA 4 sing 1 ? ? ? 
PRD_000233 1 4 C ALA 4 N MET 5 sing 1 ? ? ? 
PRD_000233 1 5 C MET 5 N CY1 6 sing 1 ? ? ? 
PRD_000233 1 6 C CY1 6 N SER 7 sing 1 ? ? ? 
PRD_000233 1 7 C SER 7 N LEU 8 sing 1 ? ? ? 
PRD_000233 1 8 C LEU 8 N NH2 9 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000233 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000233 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000233 1 1 ACE ?   N Y 
PRD_000233 1 2 ALC ?   N Y 
PRD_000233 1 3 ARG ARG N Y 
PRD_000233 1 4 ALA ALA N Y 
PRD_000233 1 5 MET MET N Y 
PRD_000233 1 6 CY1 CYS N Y 
PRD_000233 1 7 SER SER N Y 
PRD_000233 1 8 LEU LEU N Y 
PRD_000233 1 9 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000233 2012-02-01 RCSB "Create molecule"    
PRD_000233 2012-07-09 PDBE "Other modification" 
PRD_000233 2012-12-12 RCSB "Initial release"    
PRD_000233 2013-06-03 RCSB "Other modification" 
PRD_000233 2017-05-04 RCSB "Other modification" 
PRD_000233 2020-07-29 RCSB "Other modification" 
PRD_000233 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000234
# 
_pdbx_reference_molecule.prd_id                       PRD_000234 
_pdbx_reference_molecule.name                         "N-{(1R)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-N~2~-(piperazin-1-ylcarbonyl)-L-leucinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H40 N4 O4 S" 
_pdbx_reference_molecule.formula_weight               528.707 
_pdbx_reference_molecule.chem_comp_id                 0D6 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1mem 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000234 
_pdbx_reference_entity_subcomponents.seq            "BZP LEU NFP" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0D6 
# 
_pdbx_reference_entity_list.prd_id          PRD_000234 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000234 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000234 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000234 1 1 BZP .   N Y 
PRD_000234 1 2 LEU LEU N Y 
PRD_000234 1 3 NFP .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000234 1 1 1 C1 BZP 1 N LEU 2 SING ? ? ? 
PRD_000234 1 1 2 C  LEU 2 N NFP 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000234 2012-02-08 RCSB "Create molecule"    
PRD_000234 2012-05-01 RCSB "Other modification" 
PRD_000234 2012-07-09 PDBE "Other modification" 
PRD_000234 2012-12-12 RCSB "Initial release"    
PRD_000234 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000235
# 
_pdbx_reference_molecule.prd_id                       PRD_000235 
_pdbx_reference_molecule.name                         "N-acetyl-L-leucyl-L-alanyl-N-[(1R,2R)-2-hydroxy-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}propyl]-L-alaninamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H39 N5 O6" 
_pdbx_reference_molecule.formula_weight               469.575 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2z3d 
# 
_pdbx_reference_entity_list.prd_id          PRD_000235 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "peptide-like Inhibitor bound to protein CYS, contains microheterogeneity" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000235 1 1 C ACE 1 N LEU 2 sing 1 ? ? ? 
PRD_000235 1 2 C LEU 2 N ALA 3 sing 1 ? ? ? 
PRD_000235 1 3 C ALA 3 N ALA 4 sing 1 ? ? ? 
PRD_000235 1 4 C ALA 4 N OCQ 5 sing 1 ? ? ? 
PRD_000235 1 5 C ALA 4 N ECQ 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000235 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000235 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000235 1 1 ACE ?   N Y 
PRD_000235 1 2 LEU LEU N Y 
PRD_000235 1 3 ALA ALA N Y 
PRD_000235 1 4 ALA ALA N Y 
PRD_000235 1 5 ECQ ?   Y Y 
PRD_000235 1 5 OCQ ?   Y Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000235 2012-02-03 RCSB "Create molecule"    
PRD_000235 2012-07-09 PDBE "Other modification" 
PRD_000235 2012-12-12 RCSB "Initial release"    
PRD_000235 2013-06-03 RCSB "Other modification" 
PRD_000235 2020-07-29 RCSB "Other modification" 
PRD_000235 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000236
# 
_pdbx_reference_molecule.prd_id                       PRD_000236 
_pdbx_reference_molecule.name                         "N-acetyl-L-alanyl-N-{(1S)-3,3-difluoro-1-(1-methylethyl)-2,4-dioxo-4-[(2-phenylethyl)amino]butyl}-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H37 F2 N4 O5" 
_pdbx_reference_molecule.formula_weight               511.582 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4EST 
# 
_pdbx_reference_entity_list.prd_id          PRD_000236 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "a peptidyl alpha,alpha-difluoro-beta-keto amide inhibitor bound to protein Ser" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000236 1 1 C  ACE 1 N  ALA 2 sing 1 ? ? ? 
PRD_000236 1 2 C  ALA 2 N  PRO 3 sing 1 ? ? ? 
PRD_000236 1 3 C  PRO 3 N  VAI 4 sing 1 ? ? ? 
PRD_000236 1 4 C  VAI 4 C1 FPA 5 sing 1 ? ? ? 
PRD_000236 1 5 C2 FPA 5 N  PEA 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000236 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000236 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000236 1 1 ACE ?   N Y 
PRD_000236 1 2 ALA ALA N Y 
PRD_000236 1 3 PRO PRO N Y 
PRD_000236 1 4 VAI VAL N Y 
PRD_000236 1 5 FPA ?   N Y 
PRD_000236 1 6 PEA ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000236 2012-02-03 RCSB "Create molecule"    
PRD_000236 2012-07-09 PDBE "Other modification" 
PRD_000236 2012-12-12 RCSB "Initial release"    
PRD_000236 2013-06-03 RCSB "Other modification" 
PRD_000236 2013-09-12 RCSB "Other modification" 
PRD_000236 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000237
# 
_pdbx_reference_molecule.prd_id                       PRD_000237 
_pdbx_reference_molecule.name                         "N-({1-[(2S)-2-carboxy-4-phenylbutyl]cyclopentyl}carbonyl)-L-tryptophan" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H32 N2 O5" 
_pdbx_reference_molecule.formula_weight               476.564 
_pdbx_reference_molecule.chem_comp_id                 0DB 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1thl 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000237 
_pdbx_reference_entity_subcomponents.seq            "CLT CCM TRP" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0DB 
# 
_pdbx_reference_entity_list.prd_id          PRD_000237 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000237 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000237 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000237 1 1 CLT .   N Y 
PRD_000237 1 2 CCM .   N Y 
PRD_000237 1 3 TRP TRP N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000237 1 1 1 CA CLT 1 CH2 CCM 2 SING ? ? ? 
PRD_000237 1 1 2 C  CCM 2 N   TRP 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000237 2012-02-08 RCSB "Create molecule"    
PRD_000237 2012-05-01 RCSB "Other modification" 
PRD_000237 2012-07-09 PDBE "Other modification" 
PRD_000237 2012-12-12 RCSB "Initial release"    
PRD_000237 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000238
# 
_pdbx_reference_molecule.prd_id                       PRD_000238 
_pdbx_reference_molecule.name                         Ac-Asp-Glu-Val-Asp-CMK 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H31 Cl N4 O11" 
_pdbx_reference_molecule.formula_weight               550.944 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2j32 
# 
_pdbx_reference_entity_list.prd_id          PRD_000238 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000238 1 1 C ACE 1 N  ASP 2 sing 1 ? ? ? 
PRD_000238 1 2 C ASP 2 N  GLU 3 sing 1 ? ? ? 
PRD_000238 1 3 C GLU 3 N  VAL 4 sing 1 ? ? ? 
PRD_000238 1 4 C VAL 4 N  ASP 5 sing 1 ? ? ? 
PRD_000238 1 5 C ASP 5 C1 0QE 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000238 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000238 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000238 1 1 ACE ?   N Y 
PRD_000238 1 2 ASP ASP N Y 
PRD_000238 1 3 GLU GLU N Y 
PRD_000238 1 4 VAL VAL N Y 
PRD_000238 1 5 ASP ASP N Y 
PRD_000238 1 6 0QE ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000238 2012-04-30 RCSB "Create molecule"    
PRD_000238 2012-07-09 PDBE "Other modification" 
PRD_000238 2012-12-12 RCSB "Initial release"    
PRD_000238 2013-06-03 RCSB "Other modification" 
PRD_000238 2020-07-29 RCSB "Other modification" 
PRD_000238 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000239
# 
_pdbx_reference_molecule.prd_id                       PRD_000239 
_pdbx_reference_molecule.name                         "N-acetyl-L-alpha-aspartyl-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C19 H29 F N4 O9" 
_pdbx_reference_molecule.formula_weight               476.453 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1cp3 
# 
_pdbx_reference_entity_list.prd_id          PRD_000239 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "TETRAPEPTIDE INHIBITOR ACE-DVAD-FMC" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000239 1 1 C ACE 1 N  ASP 2 sing 1 ? ? ? 
PRD_000239 1 2 C ASP 2 N  VAL 3 sing 1 ? ? ? 
PRD_000239 1 3 C VAL 3 N  ALA 4 sing 1 ? ? ? 
PRD_000239 1 4 C ALA 4 N  ASP 5 sing 1 ? ? ? 
PRD_000239 1 5 C ASP 5 C1 CF0 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000239 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000239 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000239 1 1 ACE ?   N Y 
PRD_000239 1 2 ASP ASP N Y 
PRD_000239 1 3 VAL VAL N Y 
PRD_000239 1 4 ALA ALA N Y 
PRD_000239 1 5 ASP ASP N Y 
PRD_000239 1 6 CF0 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000239 2012-04-30 RCSB "Create molecule"    
PRD_000239 2012-07-09 PDBE "Other modification" 
PRD_000239 2012-12-12 RCSB "Initial release"    
PRD_000239 2013-06-03 RCSB "Other modification" 
PRD_000239 2020-07-29 RCSB "Other modification" 
PRD_000239 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000240
# 
_pdbx_reference_molecule.prd_id                       PRD_000240 
_pdbx_reference_molecule.name                         N-acetyl-L-isoleucyl-L-prolyl-L-Phenylalaninal 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H33 N3 O4" 
_pdbx_reference_molecule.formula_weight               403.515 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1sio 
# 
_pdbx_reference_entity_list.prd_id          PRD_000240 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "COVALENTLY-BOUND ACE-ILE-PRO-PHL PEPTIDE INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000240 1 1 C ACE 1 N ILE 2 sing 1 ? ? ? 
PRD_000240 1 2 C ILE 2 N PRO 3 sing 1 ? ? ? 
PRD_000240 1 3 C PRO 3 N PHL 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000240 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000240 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000240 1 1 ACE ?   N Y 
PRD_000240 1 2 ILE ILE N Y 
PRD_000240 1 3 PRO PRO N Y 
PRD_000240 1 4 PHL PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000240 2012-02-03 RCSB "Create molecule"    
PRD_000240 2012-07-09 PDBE "Other modification" 
PRD_000240 2012-12-12 RCSB "Initial release"    
PRD_000240 2013-06-03 RCSB "Other modification" 
PRD_000240 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000241
# 
_pdbx_reference_molecule.prd_id                       PRD_000241 
_pdbx_reference_molecule.name                         "N-acetyl-L-leucyl-L-alpha-aspartyl-L-alpha-glutamyl-L-seryl-L-aspartic aldehyde" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H39 N5 O13" 
_pdbx_reference_molecule.formula_weight               605.592 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1pyo 
# 
_pdbx_reference_entity_list.prd_id          PRD_000241 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "Inhibitor ACETYL-LEU-ASP-GLU-SER-ASP-CHO" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000241 1 1 C ACE 1 N LEU 2 sing 1 ? ? ? 
PRD_000241 1 2 C LEU 2 N ASP 3 sing 1 ? ? ? 
PRD_000241 1 3 C ASP 3 N GLU 4 sing 1 ? ? ? 
PRD_000241 1 4 C GLU 4 N SER 5 sing 1 ? ? ? 
PRD_000241 1 5 C SER 5 N ASJ 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000241 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         P36114 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000241 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000241 1 1 ACE ?   N Y 
PRD_000241 1 2 LEU LEU N Y 
PRD_000241 1 3 ASP ASP N Y 
PRD_000241 1 4 GLU GLU N Y 
PRD_000241 1 5 SER SER N Y 
PRD_000241 1 6 ASJ ASP N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000241 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 559292 
_pdbx_reference_entity_src_nat.organism_scientific   
;Saccharomyces cerevisiae (Baker's yeast)
;
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               P36114 
_pdbx_reference_entity_src_nat.db_name               UniProt 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000241 2012-02-08 RCSB "Create molecule"    
PRD_000241 2012-07-09 PDBE "Other modification" 
PRD_000241 2012-12-12 RCSB "Initial release"    
PRD_000241 2013-06-03 RCSB "Other modification" 
PRD_000241 2020-07-29 RCSB "Other modification" 
PRD_000241 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000242
# 
_pdbx_reference_molecule.prd_id                       PRD_000242 
_pdbx_reference_molecule.name                         "N-acetyl-L-leucyl-L-phenylalanyl-N-[(1S,2R)-1-(2-carboxyethyl)-3-fluoro-2-hydroxypropyl]-L-phenylalaninamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H43 F N4 O7" 
_pdbx_reference_molecule.formula_weight               614.705 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2hal 
# 
_pdbx_reference_entity_list.prd_id          PRD_000242 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "N-ACETYL-LEUCYL-PHENYLALANYL-PHENYLALANYL-GLUTAMATE-FLUOROMETHYLKETONE INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000242 1 1 C ACE 1 N  LEU 2 sing 1 ? ? ? 
PRD_000242 1 2 C LEU 2 N  PHE 3 sing 1 ? ? ? 
PRD_000242 1 3 C PHE 3 N  PHE 4 sing 1 ? ? ? 
PRD_000242 1 4 C PHE 4 N  GLK 5 sing 1 ? ? ? 
PRD_000242 1 5 C PHE 4 N  GLU 5 sing 1 ? ? ? 
PRD_000242 1 6 C GLK 5 C1 CF0 6 sing 1 ? ? ? 
PRD_000242 1 7 C GLU 5 C1 CF0 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000242 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000242 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000242 1 1 ACE ?   N Y 
PRD_000242 1 2 LEU LEU N Y 
PRD_000242 1 3 PHE PHE N Y 
PRD_000242 1 4 PHE PHE N Y 
PRD_000242 1 5 GLK GLU Y Y 
PRD_000242 1 5 GLU GLU Y Y 
PRD_000242 1 6 CF0 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000242 2012-04-30 RCSB "Create molecule"    
PRD_000242 2012-07-09 PDBE "Other modification" 
PRD_000242 2012-12-12 RCSB "Initial release"    
PRD_000242 2013-06-03 RCSB "Other modification" 
PRD_000242 2020-07-29 RCSB "Other modification" 
PRD_000242 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000243
# 
_pdbx_reference_molecule.prd_id                       PRD_000243 
_pdbx_reference_molecule.name                         "N-acetyl-3-(naphthalen-1-yl)-L-alanyl-L-valyl-L-leucyl-L-alanyl-L-alpha-glutamyl-3-naphthalen-1-yl- L-alaninamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C47 H59 N7 O9" 
_pdbx_reference_molecule.formula_weight               866.013 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3fiv 
# 
_pdbx_reference_entity_list.prd_id          PRD_000243 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "peptide like inhibitor" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000243 1 1 C ACE 1 N ALN 2 sing 1 ? ? ? 
PRD_000243 1 2 C ALN 2 N VAL 3 sing 1 ? ? ? 
PRD_000243 1 3 C VAL 3 N LEU 4 sing 1 ? ? ? 
PRD_000243 1 4 C LEU 4 N ALA 5 sing 1 ? ? ? 
PRD_000243 1 5 C ALA 5 N GLU 6 sing 1 ? ? ? 
PRD_000243 1 6 C GLU 6 N ALN 7 sing 1 ? ? ? 
PRD_000243 1 7 C ALN 7 N NH2 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000243 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000243 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000243 1 1 ACE ?   N Y 
PRD_000243 1 2 ALN ALA N Y 
PRD_000243 1 3 VAL VAL N Y 
PRD_000243 1 4 LEU LEU N Y 
PRD_000243 1 5 ALA ALA N Y 
PRD_000243 1 6 GLU GLU N Y 
PRD_000243 1 7 ALN ALA N Y 
PRD_000243 1 8 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000243 2012-02-01 RCSB "Create molecule"    
PRD_000243 2012-07-09 PDBE "Other modification" 
PRD_000243 2012-12-12 RCSB "Initial release"    
PRD_000243 2013-06-03 RCSB "Other modification" 
PRD_000243 2017-05-04 RCSB "Other modification" 
PRD_000243 2020-07-29 RCSB "Other modification" 
PRD_000243 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000244
# 
_pdbx_reference_molecule.prd_id                       PRD_000244 
_pdbx_reference_molecule.name                         "dimethylphenoxyacetyl-L-phenylalaninol-pipecolinic acid dipeptide isostere" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H46 N4 O6 S" 
_pdbx_reference_molecule.formula_weight               650.828 
_pdbx_reference_molecule.chem_comp_id                 0DO 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1idb 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000244 
_pdbx_reference_entity_subcomponents.seq            "DBA SZ0 NTB" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0DO 
# 
_pdbx_reference_entity_list.prd_id          PRD_000244 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000244 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000244 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000244 1 1 DBA . N Y 
PRD_000244 1 2 SZ0 . N Y 
PRD_000244 1 3 NTB . N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000244 1 1 1 C  SZ0 2 N NTB 3 SING ? ? ? 
PRD_000244 1 1 2 C1 DBA 1 N SZ0 2 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000244 2012-02-08 RCSB "Create molecule"    
PRD_000244 2012-05-01 RCSB "Other modification" 
PRD_000244 2012-07-09 PDBE "Other modification" 
PRD_000244 2012-12-12 RCSB "Initial release"    
PRD_000244 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000245
# 
_pdbx_reference_molecule.prd_id                       PRD_000245 
_pdbx_reference_molecule.name                         
;1-acetyl-L-prolyl-L-prolyl-L-prolyl-L-valyl-N-(1-methylethyl)glycyl-L-prolyl-N~5~-[amino(iminio)methyl]-L-ornithyl-
N~5~-[amino(iminio)methyl]-L-ornithine
;
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C44 H76 N14 O10" 
_pdbx_reference_molecule.formula_weight               961.162 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2sem 
# 
_pdbx_reference_entity_list.prd_id          PRD_000245 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTOID INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000245 1 1 C ACE 1 N PRO 2 sing 1 ? ? ? 
PRD_000245 1 2 C PRO 2 N PRO 3 sing 1 ? ? ? 
PRD_000245 1 3 C PRO 3 N PRO 4 sing 1 ? ? ? 
PRD_000245 1 4 C PRO 4 N VAL 5 sing 1 ? ? ? 
PRD_000245 1 5 C VAL 5 N IPG 6 sing 1 ? ? ? 
PRD_000245 1 6 C IPG 6 N PRO 7 sing 1 ? ? ? 
PRD_000245 1 7 C PRO 7 N ARG 8 sing 1 ? ? ? 
PRD_000245 1 8 C ARG 8 N ARG 9 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000245 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000245 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000245 1 1 ACE ?   N Y 
PRD_000245 1 2 PRO PRO N Y 
PRD_000245 1 3 PRO PRO N Y 
PRD_000245 1 4 PRO PRO N Y 
PRD_000245 1 5 VAL VAL N Y 
PRD_000245 1 6 IPG GLY N Y 
PRD_000245 1 7 PRO PRO N Y 
PRD_000245 1 8 ARG ARG N Y 
PRD_000245 1 9 ARG ARG N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000245 2012-02-01 RCSB "Create molecule"    
PRD_000245 2012-07-09 PDBE "Other modification" 
PRD_000245 2012-12-12 RCSB "Initial release"    
PRD_000245 2013-06-03 RCSB "Other modification" 
PRD_000245 2017-05-04 RCSB "Other modification" 
PRD_000245 2020-07-29 RCSB "Other modification" 
PRD_000245 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000246
# 
_pdbx_reference_molecule.prd_id                       PRD_000246 
_pdbx_reference_molecule.name                         
;N~2~-acetyl-N~5~-[amino(iminio)methyl]-L-ornithyl-L-alpha-glutamyl-N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-N~5~-
[amino(iminio)methyl]-L-ornithinamide
;
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H52 Cl N11 O7" 
_pdbx_reference_molecule.formula_weight               666.214 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2id4 
# 
_pdbx_reference_entity_list.prd_id          PRD_000246 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "AN AC-R-E-R-K-CHLOROMETHYL KETONE INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000246 1 1 C ACE 1 N  ARG 2 sing 1 ? ? ? 
PRD_000246 1 2 C ARG 2 N  GLU 3 sing 1 ? ? ? 
PRD_000246 1 3 C GLU 3 N  ARG 4 sing 1 ? ? ? 
PRD_000246 1 4 C ARG 4 N  LYK 5 sing 1 ? ? ? 
PRD_000246 1 5 C LYK 5 C1 0QE 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000246 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000246 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000246 1 1 ACE ?   N Y 
PRD_000246 1 2 ARG ARG N Y 
PRD_000246 1 3 GLU GLU N Y 
PRD_000246 1 4 ARG ARG N Y 
PRD_000246 1 5 LYK LYS N Y 
PRD_000246 1 6 0QE ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000246 2012-04-30 RCSB "Create molecule"    
PRD_000246 2012-07-09 PDBE "Other modification" 
PRD_000246 2012-12-12 RCSB "Initial release"    
PRD_000246 2013-06-03 RCSB "Other modification" 
PRD_000246 2017-05-04 RCSB "Other modification" 
PRD_000246 2020-07-29 RCSB "Other modification" 
PRD_000246 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000247
# 
_pdbx_reference_molecule.prd_id                       PRD_000247 
_pdbx_reference_molecule.name                         "N-{(2S)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-leucyl-L-phenylalaninamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H36 N4 O5" 
_pdbx_reference_molecule.formula_weight               448.556 
_pdbx_reference_molecule.chem_comp_id                 0DS 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1umt 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000247 
_pdbx_reference_entity_subcomponents.seq            "2HM LEU PHE NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0DS 
# 
_pdbx_reference_entity_list.prd_id          PRD_000247 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000247 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000247 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000247 1 1 2HM .   N Y 
PRD_000247 1 2 LEU LEU N Y 
PRD_000247 1 3 PHE PHE N Y 
PRD_000247 1 4 NH2 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000247 1 1 1 C 2HM 1 N LEU 2 SING ? ? ? 
PRD_000247 1 1 2 C LEU 2 N PHE 3 SING ? ? ? 
PRD_000247 1 1 3 C PHE 3 N NH2 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000247 2012-02-08 RCSB "Create molecule"    
PRD_000247 2012-05-01 RCSB "Other modification" 
PRD_000247 2012-07-09 PDBE "Other modification" 
PRD_000247 2012-12-12 RCSB "Initial release"    
PRD_000247 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000249
# 
_pdbx_reference_molecule.prd_id                       PRD_000249 
_pdbx_reference_molecule.name                         "HONH-iBM-L-Asn-NHBn(m-NH2)" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H27 N5 O5" 
_pdbx_reference_molecule.formula_weight               393.437 
_pdbx_reference_molecule.chem_comp_id                 0DY 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1a85 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000249 
_pdbx_reference_entity_subcomponents.seq            "HMI ASN DBP" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0DY 
# 
_pdbx_reference_entity_list.prd_id          PRD_000249 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000249 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000249 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000249 1 1 HMI .   N Y 
PRD_000249 1 2 ASN ASN N Y 
PRD_000249 1 3 DBP .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000249 1 1 1 C HMI 1 N ASN 2 SING ? ? ? 
PRD_000249 1 1 2 C ASN 2 N DBP 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000249 2012-02-08 RCSB "Create molecule"    
PRD_000249 2012-05-01 RCSB "Other modification" 
PRD_000249 2012-07-09 PDBE "Other modification" 
PRD_000249 2012-12-12 RCSB "Initial release"    
PRD_000249 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000250
# 
_pdbx_reference_molecule.prd_id                       PRD_000250 
_pdbx_reference_molecule.name                         "N-acetyl-L-valyl-O-benzyl-L-threonyl-N-[(1R,2R)-2-hydroxy-1-{[(3R)-2-oxopyrrolidin-3-yl]methyl}propyl]-L-leucinamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H51 N5 O7" 
_pdbx_reference_molecule.formula_weight               617.777 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2z3c 
# 
_pdbx_reference_entity_list.prd_id          PRD_000250 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "covalently linked inhibitor" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000250 1 1 C ACE 1 N VAL 2 sing 1 ? ? ? 
PRD_000250 1 2 C VAL 2 N Z3E 3 sing 1 ? ? ? 
PRD_000250 1 3 C Z3E 3 N LEU 4 sing 1 ? ? ? 
PRD_000250 1 4 C LEU 4 N KCQ 5 sing 1 ? ? ? 
PRD_000250 1 5 C LEU 4 N ECQ 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000250 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000250 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000250 1 1 ACE ?   N Y 
PRD_000250 1 2 VAL VAL N Y 
PRD_000250 1 3 Z3E THR N Y 
PRD_000250 1 4 LEU LEU N Y 
PRD_000250 1 5 ECQ ?   Y Y 
PRD_000250 1 5 KCQ ?   Y Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000250 2012-02-03 RCSB "Create molecule"    
PRD_000250 2012-07-09 PDBE "Other modification" 
PRD_000250 2012-12-12 RCSB "Initial release"    
PRD_000250 2013-06-03 RCSB "Other modification" 
PRD_000250 2020-07-29 RCSB "Other modification" 
PRD_000250 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000252
# 
_pdbx_reference_molecule.prd_id                       PRD_000252 
_pdbx_reference_molecule.name                         Ac-Tyr-Val-Ala-Asp-Aldehyde 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H32 N4 O8" 
_pdbx_reference_molecule.formula_weight               492.522 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1ice 
# 
_pdbx_reference_entity_list.prd_id          PRD_000252 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "TETRAPEPTIDE ALDEHYDE" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000252 1 1 C ACE 1 N TYR 2 sing 1 ? ? ? 
PRD_000252 1 2 C TYR 2 N VAL 3 sing 1 ? ? ? 
PRD_000252 1 3 C VAL 3 N ALA 4 sing 1 ? ? ? 
PRD_000252 1 4 C ALA 4 N ASA 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000252 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000252 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000252 1 1 ACE ?   N Y 
PRD_000252 1 2 TYR TYR N Y 
PRD_000252 1 3 VAL VAL N Y 
PRD_000252 1 4 ALA ALA N Y 
PRD_000252 1 5 ASA ASP N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000252 2012-02-01 RCSB "Create molecule"    
PRD_000252 2012-07-09 PDBE "Other modification" 
PRD_000252 2012-12-12 RCSB "Initial release"    
PRD_000252 2013-06-03 RCSB "Other modification" 
PRD_000252 2020-07-29 RCSB "Other modification" 
PRD_000252 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000253
# 
_pdbx_reference_molecule.prd_id                       PRD_000253 
_pdbx_reference_molecule.name                         
;amino{[(4R)-4-{[(benzyloxy)carbonyl]amino}-5-({(1R)-1-[(benzyloxy)methyl]-3-chloro-2-oxopropyl}amino)-5-
oxopentyl]amino}methaniminium
;
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H33 Cl N5 O5" 
_pdbx_reference_molecule.formula_weight               519.013 
_pdbx_reference_molecule.chem_comp_id                 0E6 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1the 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000253 
_pdbx_reference_entity_subcomponents.seq            "PHQ ARG SEM 0QE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0E6 
# 
_pdbx_reference_entity_list.prd_id          PRD_000253 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000253 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000253 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000253 1 1 PHQ .   N Y 
PRD_000253 1 2 ARG ARG N Y 
PRD_000253 1 3 SEM SER N Y 
PRD_000253 1 4 0QE .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000253 1 1 1 C  SEM 3 C1 0QE 4 SING ? ? ? 
PRD_000253 1 1 2 C1 PHQ 1 N  ARG 2 SING ? ? ? 
PRD_000253 1 1 3 C  ARG 2 N  SEM 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000253 2012-02-08 RCSB "Create molecule"    
PRD_000253 2012-05-01 RCSB "Other modification" 
PRD_000253 2012-07-09 PDBE "Other modification" 
PRD_000253 2012-12-12 RCSB "Initial release"    
PRD_000253 2017-05-04 RCSB "Other modification" 
PRD_000253 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000254
# 
_pdbx_reference_molecule.prd_id                       PRD_000254 
_pdbx_reference_molecule.name                         "methyl N-(4-carbamimidamidobutanoyl)-L-phenylalanyl-L-allothreonyl-L-phenylalaninate" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H38 N6 O6" 
_pdbx_reference_molecule.formula_weight               554.638 
_pdbx_reference_molecule.chem_comp_id                 0E7 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1hdt 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000254 
_pdbx_reference_entity_subcomponents.seq            "ALG PHE ALO 0A9" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0E7 
# 
_pdbx_reference_entity_list.prd_id          PRD_000254 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000254 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000254 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000254 1 1 ALG .   N Y 
PRD_000254 1 2 PHE PHE N Y 
PRD_000254 1 3 ALO THR N Y 
PRD_000254 1 4 0A9 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000254 1 1 1 C ALG 1 N PHE 2 SING ? ? ? 
PRD_000254 1 1 2 C PHE 2 N ALO 3 SING ? ? ? 
PRD_000254 1 1 3 C ALO 3 N 0A9 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000254 2012-02-08 RCSB "Create molecule"    
PRD_000254 2012-05-01 RCSB "Other modification" 
PRD_000254 2012-07-09 PDBE "Other modification" 
PRD_000254 2012-12-12 RCSB "Initial release"    
PRD_000254 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000256
# 
_pdbx_reference_molecule.prd_id                       PRD_000256 
_pdbx_reference_molecule.name                         
;benzyl [(1R,4S,6S,9R)-4,6-dibenzyl-5-hydroxy-1,9-bis(1-methylethyl)-2,8,11-trioxo-13-phenyl-12-oxa-
3,7,10-triazatridec-1-yl]carbamate
;
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C43 H52 N4 O7" 
_pdbx_reference_molecule.formula_weight               736.896 
_pdbx_reference_molecule.chem_comp_id                 0E9 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   9hvp 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000256 
_pdbx_reference_entity_subcomponents.seq            "PHQ VAL COR VAL PHQ" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0E9 
# 
_pdbx_reference_entity_list.prd_id          PRD_000256 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000256 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000256 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000256 1 1 PHQ .   N Y 
PRD_000256 1 2 VAL VAL N Y 
PRD_000256 1 3 COR .   N Y 
PRD_000256 1 4 VAL VAL N Y 
PRD_000256 1 5 PHQ .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000256 1 1 1 C1 PHQ 1 N  VAL 2 SING ? ? ? 
PRD_000256 1 1 2 C  VAL 2 N2 COR 3 SING ? ? ? 
PRD_000256 1 1 3 N4 COR 3 C  VAL 4 SING ? ? ? 
PRD_000256 1 1 4 N  VAL 4 C1 PHQ 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000256 2012-02-08 RCSB "Create molecule"    
PRD_000256 2012-05-01 RCSB "Other modification" 
PRD_000256 2012-07-09 PDBE "Other modification" 
PRD_000256 2012-12-12 RCSB "Initial release"    
PRD_000256 2017-05-04 RCSB "Other modification" 
PRD_000256 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000257
# 
_pdbx_reference_molecule.prd_id                       PRD_000257 
_pdbx_reference_molecule.name                         
;N-{(2S)-2-[(N-acetyl-4-carbamimidoyl-L-phenylalanyl)amino]-2-cyclohexylacetyl}-3-(1-methylpyridinium-3-yl)-
L-alanyl-D-leucyl-L-prolinamide
;
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C40 H58 N9 O6" 
_pdbx_reference_molecule.formula_weight               760.945 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7kme 
# 
_pdbx_reference_entity_list.prd_id          PRD_000257 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "Inhibitor SEL2711" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000257 1 1 C ACE 1 N 0BN 2 sing 1 ? ? ? 
PRD_000257 1 2 C 0BN 2 N CHG 3 sing 1 ? ? ? 
PRD_000257 1 3 C CHG 3 N PRR 4 sing 1 ? ? ? 
PRD_000257 1 4 C PRR 4 N LEU 5 sing 1 ? ? ? 
PRD_000257 1 5 C LEU 5 N PRO 6 sing 1 ? ? ? 
PRD_000257 1 6 C PRO 6 N NH2 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000257 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000257 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000257 1 1 ACE ?   N Y 
PRD_000257 1 2 0BN PHE N Y 
PRD_000257 1 3 CHG GLY N Y 
PRD_000257 1 4 PRR ALA N Y 
PRD_000257 1 5 LEU LEU N N 
PRD_000257 1 6 PRO PRO N N 
PRD_000257 1 7 NH2 ?   N N 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000257 2012-02-01 RCSB "Create molecule"    
PRD_000257 2012-07-09 PDBE "Other modification" 
PRD_000257 2012-12-12 RCSB "Initial release"    
PRD_000257 2013-06-03 RCSB "Other modification" 
PRD_000257 2017-05-04 RCSB "Other modification" 
PRD_000257 2020-07-29 RCSB "Other modification" 
PRD_000257 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000258
# 
_pdbx_reference_molecule.prd_id                       PRD_000258 
_pdbx_reference_molecule.name                         "N-[(1S)-3-{[(benzyloxy)carbonyl]amino}-1-carboxypropyl]-L-leucyl-N-(2-morpholin-4-ylethyl)-L-phenylalaninamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C33 H47 N5 O7" 
_pdbx_reference_molecule.formula_weight               625.756 
_pdbx_reference_molecule.chem_comp_id                 0ED 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1cgl 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000258 
_pdbx_reference_entity_subcomponents.seq            "PHQ ABU LEU PHE EMR" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0ED 
# 
_pdbx_reference_entity_list.prd_id          PRD_000258 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000258 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000258 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000258 1 1 PHQ .   N Y 
PRD_000258 1 2 ABU .   N Y 
PRD_000258 1 3 LEU LEU N Y 
PRD_000258 1 4 PHE PHE N Y 
PRD_000258 1 5 EMR .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000258 1 1 1 C1 PHQ 1 N     ABU 2 SING ? ? ? 
PRD_000258 1 1 2 CG ABU 2 N     LEU 3 SING ? ? ? 
PRD_000258 1 1 3 C  LEU 3 N     PHE 4 SING ? ? ? 
PRD_000258 1 1 4 C  PHE 4 "N2'" EMR 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000258 2012-02-08 RCSB "Create molecule"    
PRD_000258 2012-05-01 RCSB "Other modification" 
PRD_000258 2012-07-09 PDBE "Other modification" 
PRD_000258 2012-12-12 RCSB "Initial release"    
PRD_000258 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000259
# 
_pdbx_reference_molecule.prd_id                       PRD_000259 
_pdbx_reference_molecule.name                         "N-acetyl-L-tryptophyl-L-alpha-glutamyl-N-[(1R)-2-carboxy-1-formylethyl]-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H36 N7 O9" 
_pdbx_reference_molecule.formula_weight               614.627 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2qlj 
# 
_pdbx_reference_entity_list.prd_id          PRD_000259 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "INHIBITOR AC-WEHD-CHO" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000259 1 1 C ACE 1 N TRP 2 sing 1 ? ? ? 
PRD_000259 1 2 C TRP 2 N GLU 3 sing 1 ? ? ? 
PRD_000259 1 3 C GLU 3 N HIS 4 sing 1 ? ? ? 
PRD_000259 1 4 C HIS 4 N ASJ 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000259 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000259 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000259 1 1 ACE ?   N Y 
PRD_000259 1 2 TRP TRP N Y 
PRD_000259 1 3 GLU GLU N Y 
PRD_000259 1 4 HIS HIS N Y 
PRD_000259 1 5 ASJ ASN N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000259 2012-02-03 RCSB "Create molecule"    
PRD_000259 2012-07-09 PDBE "Other modification" 
PRD_000259 2012-12-12 RCSB "Initial release"    
PRD_000259 2013-06-03 RCSB "Other modification" 
PRD_000259 2020-07-29 RCSB "Other modification" 
PRD_000259 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000260
# 
_pdbx_reference_molecule.prd_id                       PRD_000260 
_pdbx_reference_molecule.name                         "N-(tert-butoxycarbonyl)-L-alanyl-N-[(1R)-1-(carboxyamino)-2-phenylethyl]-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H32 N4 O6" 
_pdbx_reference_molecule.formula_weight               448.513 
_pdbx_reference_molecule.chem_comp_id                 0EF 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1scn 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000260 
_pdbx_reference_entity_subcomponents.seq            "BOC ALA PRO APE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0EF 
# 
_pdbx_reference_entity_list.prd_id          PRD_000260 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000260 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000260 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000260 1 1 BOC .   N Y 
PRD_000260 1 2 ALA ALA N Y 
PRD_000260 1 3 PRO PRO N Y 
PRD_000260 1 4 APE .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000260 1 1 1 C BOC 1 N ALA 2 SING ? ? ? 
PRD_000260 1 1 2 C ALA 2 N PRO 3 SING ? ? ? 
PRD_000260 1 1 3 C PRO 3 N APE 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000260 2012-02-08 RCSB "Create molecule"    
PRD_000260 2012-05-01 RCSB "Other modification" 
PRD_000260 2012-07-09 PDBE "Other modification" 
PRD_000260 2012-12-12 RCSB "Initial release"    
PRD_000260 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000261
# 
_pdbx_reference_molecule.prd_id                       PRD_000261 
_pdbx_reference_molecule.name                         "N-(tert-butoxycarbonyl)-L-alanyl-N-[(1R)-1-(dihydroxyboranyl)-2-methylpropyl]-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C17 H32 B N3 O6" 
_pdbx_reference_molecule.formula_weight               385.263 
_pdbx_reference_molecule.chem_comp_id                 0EG 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1p01 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000261 
_pdbx_reference_entity_subcomponents.seq            "BOC ALA PRO B2V" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0EG 
# 
_pdbx_reference_entity_list.prd_id          PRD_000261 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000261 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000261 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000261 1 1 BOC .   N Y 
PRD_000261 1 2 ALA ALA N Y 
PRD_000261 1 3 PRO PRO N Y 
PRD_000261 1 4 B2V VAL N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000261 1 1 1 C BOC 1 N ALA 2 SING ? ? ? 
PRD_000261 1 1 2 C ALA 2 N PRO 3 SING ? ? ? 
PRD_000261 1 1 3 C PRO 3 N B2V 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000261 2012-02-08 RCSB "Create molecule"    
PRD_000261 2012-05-01 RCSB "Other modification" 
PRD_000261 2012-07-09 PDBE "Other modification" 
PRD_000261 2012-12-12 RCSB "Initial release"    
PRD_000261 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000262
# 
_pdbx_reference_molecule.prd_id                       PRD_000262 
_pdbx_reference_molecule.name                         
;6-ammonio-N-{[(2R,3R)-3-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-4-
cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-L-norleucyl-L-phenylalanine
;
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C50 H77 N9 O9" 
_pdbx_reference_molecule.formula_weight               948.201 
_pdbx_reference_molecule.chem_comp_id                 0EK 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5er2 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000262 
_pdbx_reference_entity_subcomponents.seq            "BOC PHE HIS AHS LYS PHE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0EK 
# 
_pdbx_reference_entity_list.prd_id          PRD_000262 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000262 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000262 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000262 1 1 BOC .   N Y 
PRD_000262 1 2 PHE PHE N Y 
PRD_000262 1 3 HIS HIS N Y 
PRD_000262 1 4 AHS .   N Y 
PRD_000262 1 5 LYS LYS N Y 
PRD_000262 1 6 PHE PHE N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000262 1 1 1 C BOC 1 N PHE 2 SING ? ? ? 
PRD_000262 1 1 2 C PHE 2 N HIS 3 SING ? ? ? 
PRD_000262 1 1 3 C HIS 3 N AHS 4 SING ? ? ? 
PRD_000262 1 1 4 C AHS 4 N LYS 5 SING ? ? ? 
PRD_000262 1 1 5 C LYS 5 N PHE 6 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000262 2012-02-08 RCSB "Create molecule"    
PRD_000262 2012-05-01 RCSB "Other modification" 
PRD_000262 2012-07-09 PDBE "Other modification" 
PRD_000262 2012-12-12 RCSB "Initial release"    
PRD_000262 2017-05-04 RCSB "Other modification" 
PRD_000262 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000263
# 
_pdbx_reference_molecule.prd_id                       PRD_000263 
_pdbx_reference_molecule.name                         
;6-ammonio-N-[(2R,4R,5R)-5-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-6-
cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-L-norleucylphenylalanine
;
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C51 H78 N8 O9" 
_pdbx_reference_molecule.formula_weight               947.213 
_pdbx_reference_molecule.chem_comp_id                 0EL 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3er3 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000263 
_pdbx_reference_entity_subcomponents.seq            "BOC PHE HIS CAL LYS PHE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0EL 
# 
_pdbx_reference_entity_list.prd_id          PRD_000263 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000263 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000263 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000263 1 1 BOC .   N Y 
PRD_000263 1 2 PHE PHE N Y 
PRD_000263 1 3 HIS HIS N Y 
PRD_000263 1 4 CAL .   N Y 
PRD_000263 1 5 LYS LYS N Y 
PRD_000263 1 6 PHE PHE N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000263 1 1 1 C BOC 1 N PHE 2 SING ? ? ? 
PRD_000263 1 1 2 C PHE 2 N HIS 3 SING ? ? ? 
PRD_000263 1 1 3 C HIS 3 N CAL 4 SING ? ? ? 
PRD_000263 1 1 4 C CAL 4 N LYS 5 SING ? ? ? 
PRD_000263 1 1 5 C LYS 5 N PHE 6 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000263 2012-02-08 RCSB "Create molecule"    
PRD_000263 2012-05-01 RCSB "Other modification" 
PRD_000263 2012-07-09 PDBE "Other modification" 
PRD_000263 2012-12-12 RCSB "Initial release"    
PRD_000263 2017-05-04 RCSB "Other modification" 
PRD_000263 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000264
# 
_pdbx_reference_molecule.prd_id                       PRD_000264 
_pdbx_reference_molecule.name                         
;N-(tert-butoxycarbonyl)-L-phenylalanyl-N-{(1S)-1-[(R)-hydroxy(2-{[(2S)-2-methylbutyl]amino}-2-oxoethyl)phosphoryl]-3-
methylbutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide
;
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H52 N6 O7 P" 
_pdbx_reference_molecule.formula_weight               663.765 
_pdbx_reference_molecule.chem_comp_id                 0EM 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1gvw 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000264 
_pdbx_reference_entity_subcomponents.seq            "BOC PHE HIS PTA DCI" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0EM 
# 
_pdbx_reference_entity_list.prd_id          PRD_000264 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000264 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000264 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000264 1 1 BOC .   N Y 
PRD_000264 1 2 PHE PHE N Y 
PRD_000264 1 3 HIS HIS N Y 
PRD_000264 1 4 PTA .   N Y 
PRD_000264 1 5 DCI .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000264 1 1 1 C BOC 1 N PHE 2 SING ? ? ? 
PRD_000264 1 1 2 C PHE 2 N HIS 3 SING ? ? ? 
PRD_000264 1 1 3 C HIS 3 N PTA 4 SING ? ? ? 
PRD_000264 1 1 4 C PTA 4 N DCI 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000264 2012-02-08 RCSB "Create molecule"    
PRD_000264 2012-05-01 RCSB "Other modification" 
PRD_000264 2012-07-09 PDBE "Other modification" 
PRD_000264 2012-12-12 RCSB "Initial release"    
PRD_000264 2017-05-04 RCSB "Other modification" 
PRD_000264 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000265
# 
_pdbx_reference_molecule.prd_id                       PRD_000265 
_pdbx_reference_molecule.name                         
;(6R,7S,12R,13R,17R)-6-benzyl-12-(cyclohexylmethyl)-7,13-dihydroxy-2,2-dimethyl-17-(2-methylpropyl)-
4,10,15-trioxo-3-oxa-5,11,16-triazaoctadecan-18-oic acid
;
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C34 H55 N3 O8" 
_pdbx_reference_molecule.formula_weight               633.816 
_pdbx_reference_molecule.chem_comp_id                 0EO 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1eed 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000265 
_pdbx_reference_entity_subcomponents.seq            "BOC FOG CHS LEU" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0EO 
# 
_pdbx_reference_entity_list.prd_id          PRD_000265 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000265 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000265 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000265 1 1 BOC .   N Y 
PRD_000265 1 2 FOG .   N Y 
PRD_000265 1 3 CHS .   N Y 
PRD_000265 1 4 LEU LEU N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000265 1 1 1 C BOC 1 N FOG 2 SING ? ? ? 
PRD_000265 1 1 2 C FOG 2 N CHS 3 SING ? ? ? 
PRD_000265 1 1 3 C CHS 3 N LEU 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000265 2012-02-08 RCSB "Create molecule"    
PRD_000265 2012-05-01 RCSB "Other modification" 
PRD_000265 2012-07-09 PDBE "Other modification" 
PRD_000265 2012-12-12 RCSB "Initial release"    
PRD_000265 2017-05-04 RCSB "Other modification" 
PRD_000265 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000266
# 
_pdbx_reference_molecule.prd_id                       PRD_000266 
_pdbx_reference_molecule.name                         "H261 INHIBITOR" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C52 H81 N11 O11" 
_pdbx_reference_molecule.formula_weight               1036.267 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1oex 
# 
_pdbx_reference_entity_list.prd_id          PRD_000266 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "H261 INHIBITOR, BOC-HIS-PRO-PHE-ALA-LOV-ILE-HIS peptide" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000266 1 1 C BOC 1 N HIS 2 sing 1 ? ? ? 
PRD_000266 1 2 C HIS 2 N PRO 3 sing 1 ? ? ? 
PRD_000266 1 3 C PRO 3 N PHE 4 sing 1 ? ? ? 
PRD_000266 1 4 C PHE 4 N ALA 5 sing 1 ? ? ? 
PRD_000266 1 5 C ALA 5 N LOV 6 sing 1 ? ? ? 
PRD_000266 1 6 C LOV 6 N ILE 7 sing 1 ? ? ? 
PRD_000266 1 7 C ILE 7 N HIS 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000266 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000266 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000266 1 1 BOC ?   N Y 
PRD_000266 1 2 HIS HIS N Y 
PRD_000266 1 3 PRO PRO N Y 
PRD_000266 1 4 PHE PHE N Y 
PRD_000266 1 5 ALA ALA N Y 
PRD_000266 1 6 LOV ?   N Y 
PRD_000266 1 7 ILE ILE N Y 
PRD_000266 1 8 HIS HIS N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000266 2012-02-01 RCSB "Create molecule"    
PRD_000266 2012-07-09 PDBE "Other modification" 
PRD_000266 2012-09-17 RCSB "Other modification" 
PRD_000266 2012-12-12 RCSB "Initial release"    
PRD_000266 2013-06-03 RCSB "Other modification" 
PRD_000266 2020-07-29 RCSB "Other modification" 
PRD_000266 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000267
# 
_pdbx_reference_molecule.prd_id                       PRD_000267 
_pdbx_reference_molecule.name                         "H-261 Oligopeptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C55 H84 N13 O11" 
_pdbx_reference_molecule.formula_weight               1103.336 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2er7 
# 
_pdbx_reference_entity_list.prd_id          PRD_000267 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "TRANSITION-STATE ISOSTERE INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000267 1 1 C BOC 1 N HIS 2 sing 1 ? ? ? 
PRD_000267 1 2 C HIS 2 N PRO 3 sing 1 ? ? ? 
PRD_000267 1 3 C PRO 3 N PHE 4 sing 1 ? ? ? 
PRD_000267 1 4 C PHE 4 N HIS 5 sing 1 ? ? ? 
PRD_000267 1 5 C HIS 5 N LOV 6 sing 1 ? ? ? 
PRD_000267 1 6 C LOV 6 N ILE 7 sing 1 ? ? ? 
PRD_000267 1 7 C ILE 7 N HIS 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000267 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000267 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000267 1 1 BOC ?   N Y 
PRD_000267 1 2 HIS HIS N Y 
PRD_000267 1 3 PRO PRO N Y 
PRD_000267 1 4 PHE PHE N Y 
PRD_000267 1 5 HIS HIS N Y 
PRD_000267 1 6 LOV ?   N Y 
PRD_000267 1 7 ILE ILE N Y 
PRD_000267 1 8 HIS HIS N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000267 2012-02-01 RCSB "Create molecule"    
PRD_000267 2012-07-09 PDBE "Other modification" 
PRD_000267 2012-12-12 RCSB "Initial release"    
PRD_000267 2013-06-03 RCSB "Other modification" 
PRD_000267 2020-07-29 RCSB "Other modification" 
PRD_000267 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000268
# 
_pdbx_reference_molecule.prd_id                       PRD_000268 
_pdbx_reference_molecule.name                         L-364,099 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C54 H77 N11 O11" 
_pdbx_reference_molecule.formula_weight               1056.256 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2er9 
# 
_pdbx_reference_entity_list.prd_id          PRD_000268 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "ASPARTIC PROTEINASE-STATINE INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000268 1 1 C BOC 1 N HIS 2 sing 1 ? ? ? 
PRD_000268 1 2 C HIS 2 N PRO 3 sing 1 ? ? ? 
PRD_000268 1 3 C PRO 3 N PHE 4 sing 1 ? ? ? 
PRD_000268 1 4 C PHE 4 N HIS 5 sing 1 ? ? ? 
PRD_000268 1 5 C HIS 5 N STA 6 sing 1 ? ? ? 
PRD_000268 1 6 C STA 6 N LEU 7 sing 1 ? ? ? 
PRD_000268 1 7 C LEU 7 N PHE 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000268 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000268 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000268 1 1 BOC ?   N Y 
PRD_000268 1 2 HIS HIS N Y 
PRD_000268 1 3 PRO PRO N Y 
PRD_000268 1 4 PHE PHE N Y 
PRD_000268 1 5 HIS HIS N Y 
PRD_000268 1 6 STA ?   N Y 
PRD_000268 1 7 LEU LEU N Y 
PRD_000268 1 8 PHE PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000268 2012-02-01 RCSB "Create molecule"    
PRD_000268 2012-07-09 PDBE "Other modification" 
PRD_000268 2012-12-12 RCSB "Initial release"    
PRD_000268 2013-06-03 RCSB "Other modification" 
PRD_000268 2020-07-29 RCSB "Other modification" 
PRD_000268 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000269
# 
_pdbx_reference_molecule.prd_id                       PRD_000269 
_pdbx_reference_molecule.name                         "tert-butyl [(1S,2S)-1-benzyl-2-hydroxy-3-{[(8S,11R)-8-[(1R)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl]carbamate" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C33 H48 N4 O6" 
_pdbx_reference_molecule.formula_weight               596.757 
_pdbx_reference_molecule.chem_comp_id                 PI6 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1MTR 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000269 
_pdbx_reference_entity_subcomponents.seq            "BOC T00 ILE 0D8" 
_pdbx_reference_entity_subcomponents.chem_comp_id   PI6 
# 
_pdbx_reference_entity_list.prd_id          PRD_000269 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000269 1 1 C19 T00 2 OH 0D8 4 sing 1 ? ? ? 
PRD_000269 1 2 C   BOC 1 N1 T00 2 sing 1 ? ? ? 
PRD_000269 1 3 C12 T00 2 N  ILE 3 sing 1 ? ? ? 
PRD_000269 1 4 C   ILE 3 N3 0D8 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000269 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000269 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000269 1 1 BOC ? N Y 
PRD_000269 1 2 T00 ? N Y 
PRD_000269 1 3 ILE ? N Y 
PRD_000269 1 4 0D8 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000269 2012-02-01 RCSB "Create molecule"    
PRD_000269 2012-07-09 PDBE "Other modification" 
PRD_000269 2012-09-07 RCSB "Other modification" 
PRD_000269 2012-12-12 RCSB "Initial release"    
PRD_000269 2013-06-03 RCSB "Other modification" 
PRD_000269 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000270
# 
_pdbx_reference_molecule.prd_id                       PRD_000270 
_pdbx_reference_molecule.name                         "4-biphenylacetyl-CYS-(D)ARG-TYR-N-(2-phenylethyl) amide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C40 H49 N7 O5 S" 
_pdbx_reference_molecule.formula_weight               739.926 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1mhw 
# 
_pdbx_reference_entity_list.prd_id          PRD_000270 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "4-BIPHENYLACETYL-CYS-(D)ARG-TYR-N-(2-PHENYLETHYL) AMIDE" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000270 1 1 C BP4 1 N CYS 2 sing 1 ? ? ? 
PRD_000270 1 2 C CYS 2 N DAR 3 sing 1 ? ? ? 
PRD_000270 1 3 C DAR 3 N TYR 4 sing 1 ? ? ? 
PRD_000270 1 4 C TYR 4 N PEA 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000270 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000270 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000270 1 1 BP4 ?   N Y 
PRD_000270 1 2 CYS CYS N Y 
PRD_000270 1 3 DAR ARG N Y 
PRD_000270 1 4 TYR TYR N Y 
PRD_000270 1 5 PEA PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000270 2012-02-01 RCSB "Create molecule"    
PRD_000270 2012-07-09 PDBE "Other modification" 
PRD_000270 2012-12-12 RCSB "Initial release"    
PRD_000270 2013-06-03 RCSB "Other modification" 
PRD_000270 2020-07-29 RCSB "Other modification" 
PRD_000270 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000271
# 
_pdbx_reference_molecule.prd_id                       PRD_000271 
_pdbx_reference_molecule.name                         "CBZ-ILE-LEU-FKI, peptide inhibitor" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H35 F2 N3 O7" 
_pdbx_reference_molecule.formula_weight               527.558 
_pdbx_reference_molecule.chem_comp_id                 0F7 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1dy8 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000271 
_pdbx_reference_entity_subcomponents.seq            "PHQ ILE LEU FKI" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0F7 
# 
_pdbx_reference_entity_list.prd_id          PRD_000271 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000271 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000271 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000271 1 1 PHQ .   N Y 
PRD_000271 1 2 ILE ILE N Y 
PRD_000271 1 3 LEU LEU N Y 
PRD_000271 1 4 FKI .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000271 1 1 1 C1 PHQ 1 N ILE 2 SING ? ? ? 
PRD_000271 1 1 2 C  ILE 2 N LEU 3 SING ? ? ? 
PRD_000271 1 1 3 C  LEU 3 N FKI 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000271 2012-02-08 RCSB "Create molecule"    
PRD_000271 2012-05-01 RCSB "Other modification" 
PRD_000271 2012-07-09 PDBE "Other modification" 
PRD_000271 2012-12-12 RCSB "Initial release"    
PRD_000271 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000272
# 
_pdbx_reference_molecule.prd_id                       PRD_000272 
_pdbx_reference_molecule.name                         CBZ-DEHYDRO-LEU-VAL-ARG-TYR 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C34 H50 N7 O8" 
_pdbx_reference_molecule.formula_weight               684.803 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1tg1 
# 
_pdbx_reference_entity_list.prd_id          PRD_000272 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE INHIBITOR PHQ-LEU-VAL-ARG-TYR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000272 1 1 C1 PHQ 1 N LEU 2 sing 1 ? ? ? 
PRD_000272 1 2 C  LEU 2 N VAL 3 sing 1 ? ? ? 
PRD_000272 1 3 C  VAL 3 N ARG 4 sing 1 ? ? ? 
PRD_000272 1 4 C  ARG 4 N TYR 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000272 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000272 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000272 1 1 PHQ ?   N Y 
PRD_000272 1 2 LEU LEU N Y 
PRD_000272 1 3 VAL VAL N Y 
PRD_000272 1 4 ARG ARG N Y 
PRD_000272 1 5 TYR TYR N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000272 2012-02-01 RCSB "Create molecule"    
PRD_000272 2012-07-09 PDBE "Other modification" 
PRD_000272 2012-12-12 RCSB "Initial release"    
PRD_000272 2013-06-03 RCSB "Other modification" 
PRD_000272 2020-07-29 RCSB "Other modification" 
PRD_000272 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000275
# 
_pdbx_reference_molecule.prd_id                       PRD_000275 
_pdbx_reference_molecule.name                         "Ac-DADE-F(2)Pmp-L-NH(2)" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H46 F2 N7 O15 P" 
_pdbx_reference_molecule.formula_weight               837.716 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1qz0 
# 
_pdbx_reference_entity_list.prd_id          PRD_000275 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PHOSPHOTYROSYL MIMETIC-CONTAINING HEXAPEPTIDE" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000275 1 1 C ASP 1 N ALA 2 sing 1 ? ? ? 
PRD_000275 1 2 C ALA 2 N ASP 3 sing 1 ? ? ? 
PRD_000275 1 3 C ASP 3 N GLU 4 sing 1 ? ? ? 
PRD_000275 1 4 C GLU 4 N FTY 5 sing 1 ? ? ? 
PRD_000275 1 5 C FTY 5 N LEU 6 sing 1 ? ? ? 
PRD_000275 1 6 C LEU 6 N NH2 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000275 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000275 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000275 1 1 ASP ASP N N 
PRD_000275 1 2 ALA ALA N N 
PRD_000275 1 3 ASP ASP N Y 
PRD_000275 1 4 GLU GLU N Y 
PRD_000275 1 5 FTY TYR N Y 
PRD_000275 1 6 LEU LEU N Y 
PRD_000275 1 7 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000275 2012-02-01 RCSB "Create molecule"    
PRD_000275 2012-07-09 PDBE "Other modification" 
PRD_000275 2012-12-12 RCSB "Initial release"    
PRD_000275 2013-06-03 RCSB "Other modification" 
PRD_000275 2020-07-29 RCSB "Other modification" 
PRD_000275 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000276
# 
_pdbx_reference_molecule.prd_id                       PRD_000276 
_pdbx_reference_molecule.name                         "Thrombostatin FM inhibitor [rOicPaF(p-Me)]" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C33 H52 N9 O5" 
_pdbx_reference_molecule.formula_weight               654.823 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3bv9 
# 
_pdbx_reference_entity_list.prd_id          PRD_000276 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "FM19 INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000276 1 1 C DAR 1 N OIC 2 sing 1 ? ? ? 
PRD_000276 1 2 C OIC 2 N PRO 3 sing 1 ? ? ? 
PRD_000276 1 3 C PRO 3 N DAL 4 sing 1 ? ? ? 
PRD_000276 1 4 C DAL 4 N 4PH 5 sing 1 ? ? ? 
PRD_000276 1 5 C 4PH 5 N NH2 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000276 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000276 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000276 1 1 DAR ARG N Y 
PRD_000276 1 2 OIC ?   N Y 
PRD_000276 1 3 PRO PRO N Y 
PRD_000276 1 4 DAL ALA N Y 
PRD_000276 1 5 4PH PHE N Y 
PRD_000276 1 6 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000276 2012-02-01 RCSB "Create molecule"    
PRD_000276 2012-07-09 PDBE "Other modification" 
PRD_000276 2012-12-12 RCSB "Initial release"    
PRD_000276 2013-06-03 RCSB "Other modification" 
PRD_000276 2020-07-29 RCSB "Other modification" 
PRD_000276 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000277
# 
_pdbx_reference_molecule.prd_id                       PRD_000277 
_pdbx_reference_molecule.name                         "N-[(benzyloxy)carbonyl]-L-alpha-aspartyl-L-alpha-glutamyl-N-[(1S)-1-(carboxymethyl)-3-chloro-2-oxopropyl]-L-valinamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H35 Cl N4 O12" 
_pdbx_reference_molecule.formula_weight               643.039 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2cjx 
# 
_pdbx_reference_entity_list.prd_id          PRD_000277 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "INHIBITOR PHQ-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000277 1 1 C1 PHQ 1 N  ASP 2 sing 1 ? ? ? 
PRD_000277 1 2 C  ASP 2 N  GLU 3 sing 1 ? ? ? 
PRD_000277 1 3 C  GLU 3 N  VAL 4 sing 1 ? ? ? 
PRD_000277 1 4 C  VAL 4 N  ASP 5 sing 1 ? ? ? 
PRD_000277 1 5 C  ASP 5 C1 0QE 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000277 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000277 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000277 1 1 PHQ ?   N N 
PRD_000277 1 2 ASP ASP N Y 
PRD_000277 1 3 GLU GLU N Y 
PRD_000277 1 4 VAL VAL N Y 
PRD_000277 1 5 ASP ASP N Y 
PRD_000277 1 6 0QE ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000277 2012-04-30 RCSB "Create molecule"    
PRD_000277 2012-07-09 PDBE "Other modification" 
PRD_000277 2012-12-12 RCSB "Initial release"    
PRD_000277 2013-06-03 RCSB "Other modification" 
PRD_000277 2020-07-29 RCSB "Other modification" 
PRD_000277 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000278
# 
_pdbx_reference_molecule.prd_id                       PRD_000278 
_pdbx_reference_molecule.name                         DECANOYL-ARG-VAL-LYS-ARG-CHLOROMETHYLKETONE 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C34 H71 Cl N11 O5" 
_pdbx_reference_molecule.formula_weight               749.451 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1p8j 
# 
_pdbx_reference_entity_list.prd_id          PRD_000278 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "DECANOYL-ARG-VAL-LYS-ARG-CHLOROMETHYLKETONE INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000278 1 1 C1 DKA 1 N  ARG 2 sing 1 ? ? ? 
PRD_000278 1 2 C  ARG 2 N  VAL 3 sing 1 ? ? ? 
PRD_000278 1 3 C  VAL 3 N  LYS 4 sing 1 ? ? ? 
PRD_000278 1 4 C  LYS 4 N  AR7 5 sing 1 ? ? ? 
PRD_000278 1 5 C  AR7 5 C1 0QE 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000278 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000278 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000278 1 1 DKA ?   N Y 
PRD_000278 1 2 ARG ARG N Y 
PRD_000278 1 3 VAL VAL N Y 
PRD_000278 1 4 LYS LYS N Y 
PRD_000278 1 5 AR7 ARG N Y 
PRD_000278 1 6 0QE ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000278 2012-04-30 RCSB "Create molecule"    
PRD_000278 2012-07-09 PDBE "Other modification" 
PRD_000278 2012-12-12 RCSB "Initial release"    
PRD_000278 2013-06-03 RCSB "Other modification" 
PRD_000278 2020-07-29 RCSB "Other modification" 
PRD_000278 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000279
# 
_pdbx_reference_molecule.prd_id                       PRD_000279 
_pdbx_reference_molecule.name                         D-LEUCYL-L-PHENYLALANYL-P-FLUOROBENZYLAMIDE 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H28 F N3 O2" 
_pdbx_reference_molecule.formula_weight               385.475 
_pdbx_reference_molecule.chem_comp_id                 0FG 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1afq 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000279 
_pdbx_reference_entity_subcomponents.seq            "DLE PHE FBA" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0FG 
# 
_pdbx_reference_entity_list.prd_id          PRD_000279 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000279 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000279 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000279 1 1 DLE LEU N Y 
PRD_000279 1 2 PHE PHE N Y 
PRD_000279 1 3 FBA .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000279 1 1 1 C DLE 1 N PHE 2 SING ? ? ? 
PRD_000279 1 1 2 C PHE 2 N FBA 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000279 2012-02-08 RCSB "Create molecule"    
PRD_000279 2012-05-01 RCSB "Other modification" 
PRD_000279 2012-07-09 PDBE "Other modification" 
PRD_000279 2012-12-12 RCSB "Initial release"    
PRD_000279 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000280
# 
_pdbx_reference_molecule.prd_id                       PRD_000280 
_pdbx_reference_molecule.name                         "HIV entry inhibitor PIE1" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C82 H120 N22 O23 S2" 
_pdbx_reference_molecule.formula_weight               1846.094 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2R3C 
# 
_pdbx_reference_entity_list.prd_id          PRD_000280 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "HIV entry inhibitor PIE1" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000280 1 1  C  ACE 1  N  DLY 2  sing 1 ? ? ? 
PRD_000280 1 2  C  DLY 2  N  DLY 3  sing 1 ? ? ? 
PRD_000280 1 3  C  DLY 3  N  GLY 4  sing 1 ? ? ? 
PRD_000280 1 4  C  GLY 4  N  DAL 5  sing 1 ? ? ? 
PRD_000280 1 5  C  DAL 5  N  DCY 6  sing 1 ? ? ? 
PRD_000280 1 6  C  DCY 6  N  DGL 7  sing 1 ? ? ? 
PRD_000280 1 7  SG DCY 6  SG DCY 15 sing 1 ? ? ? 
PRD_000280 1 8  C  DGL 7  N  DSN 8  sing 1 ? ? ? 
PRD_000280 1 9  C  DSN 8  N  DPR 9  sing 1 ? ? ? 
PRD_000280 1 10 C  DPR 9  N  DGL 10 sing 1 ? ? ? 
PRD_000280 1 11 C  DGL 10 N  DTR 11 sing 1 ? ? ? 
PRD_000280 1 12 C  DTR 11 N  DGN 12 sing 1 ? ? ? 
PRD_000280 1 13 C  DGN 12 N  DTR 13 sing 1 ? ? ? 
PRD_000280 1 14 C  DTR 13 N  DLE 14 sing 1 ? ? ? 
PRD_000280 1 15 C  DLE 14 N  DCY 15 sing 1 ? ? ? 
PRD_000280 1 16 C  DCY 15 N  DAL 16 sing 1 ? ? ? 
PRD_000280 1 17 C  DAL 16 N  DAL 17 sing 1 ? ? ? 
PRD_000280 1 18 C  DAL 17 N  NH2 18 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000280 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000280 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000280 1 1  ACE ? N N 
PRD_000280 1 2  DLY ? N N 
PRD_000280 1 3  DLY ? N N 
PRD_000280 1 4  GLY ? N Y 
PRD_000280 1 5  DAL ? N Y 
PRD_000280 1 6  DCY ? N Y 
PRD_000280 1 7  DGL ? N Y 
PRD_000280 1 8  DSN ? N Y 
PRD_000280 1 9  DPR ? N Y 
PRD_000280 1 10 DGL ? N Y 
PRD_000280 1 11 DTR ? N Y 
PRD_000280 1 12 DGN ? N Y 
PRD_000280 1 13 DTR ? N Y 
PRD_000280 1 14 DLE ? N Y 
PRD_000280 1 15 DCY ? N Y 
PRD_000280 1 16 DAL ? N Y 
PRD_000280 1 17 DAL ? N Y 
PRD_000280 1 18 NH2 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000280 2012-02-03 RCSB "Create molecule"    
PRD_000280 2012-07-09 PDBE "Other modification" 
PRD_000280 2012-10-03 RCSB "Other modification" 
PRD_000280 2012-12-12 RCSB "Initial release"    
PRD_000280 2013-06-03 RCSB "Other modification" 
PRD_000280 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000281
# 
_pdbx_reference_molecule.prd_id                       PRD_000281 
_pdbx_reference_molecule.name                         "HIV ENTRY INHIBITOR PIE7" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C81 H110 N20 O22 S2" 
_pdbx_reference_molecule.formula_weight               1779.991 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2r5d 
# 
_pdbx_reference_entity_list.prd_id          PRD_000281 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "HIV ENTRY INHIBITOR PIE7" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000281 1 1  C  ACE 1  N  DLY 2  sing 1 ? ? ? 
PRD_000281 1 2  C  DLY 2  N  GLY 3  sing 1 ? ? ? 
PRD_000281 1 3  C  GLY 3  N  DAL 4  sing 1 ? ? ? 
PRD_000281 1 4  C  DAL 4  N  DCY 5  sing 1 ? ? ? 
PRD_000281 1 5  C  DCY 5  N  DAS 6  sing 1 ? ? ? 
PRD_000281 1 6  SG DCY 5  SG DCY 14 sing 1 ? ? ? 
PRD_000281 1 7  C  DAS 6  N  DTY 7  sing 1 ? ? ? 
PRD_000281 1 8  C  DTY 7  N  DPR 8  sing 1 ? ? ? 
PRD_000281 1 9  C  DPR 8  N  DGL 9  sing 1 ? ? ? 
PRD_000281 1 10 C  DGL 9  N  DTR 10 sing 1 ? ? ? 
PRD_000281 1 11 C  DTR 10 N  DGN 11 sing 1 ? ? ? 
PRD_000281 1 12 C  DGN 11 N  DTR 12 sing 1 ? ? ? 
PRD_000281 1 13 C  DTR 12 N  DLE 13 sing 1 ? ? ? 
PRD_000281 1 14 C  DLE 13 N  DCY 14 sing 1 ? ? ? 
PRD_000281 1 15 C  DCY 14 N  DAL 15 sing 1 ? ? ? 
PRD_000281 1 16 C  DAL 15 N  DAL 16 sing 1 ? ? ? 
PRD_000281 1 17 C  DAL 16 N  NH2 17 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000281 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000281 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000281 1 1  ACE ?   N Y 
PRD_000281 1 2  DLY LYS N Y 
PRD_000281 1 3  GLY GLY N Y 
PRD_000281 1 4  DAL ALA N Y 
PRD_000281 1 5  DCY CYS N Y 
PRD_000281 1 6  DAS ASP N Y 
PRD_000281 1 7  DTY TYR N Y 
PRD_000281 1 8  DPR PRO N Y 
PRD_000281 1 9  DGL GLU N Y 
PRD_000281 1 10 DTR TRP N Y 
PRD_000281 1 11 DGN GLN N Y 
PRD_000281 1 12 DTR TRP N Y 
PRD_000281 1 13 DLE LEU N Y 
PRD_000281 1 14 DCY CYS N Y 
PRD_000281 1 15 DAL ALA N Y 
PRD_000281 1 16 DAL ALA N Y 
PRD_000281 1 17 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000281 2012-02-03 RCSB "Create molecule"    
PRD_000281 2012-07-09 PDBE "Other modification" 
PRD_000281 2012-12-12 RCSB "Initial release"    
PRD_000281 2013-06-03 RCSB "Other modification" 
PRD_000281 2020-07-29 RCSB "Other modification" 
PRD_000281 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000282
# 
_pdbx_reference_molecule.prd_id                       PRD_000282 
_pdbx_reference_molecule.name                         "N-acetyl-L-alpha-aspartyl-L-asparaginyl-N-[(1R)-2-carboxy-1-formylethyl]-L-leucinamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H33 N5 O10" 
_pdbx_reference_molecule.formula_weight               503.504 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2qlf 
# 
_pdbx_reference_entity_list.prd_id          PRD_000282 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "INHIBITOR AC-DNLD-CHO" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000282 1 1 C ACE 1 N ASP 2 sing 1 ? ? ? 
PRD_000282 1 2 C ASP 2 N ASN 3 sing 1 ? ? ? 
PRD_000282 1 3 C ASN 3 N LEU 4 sing 1 ? ? ? 
PRD_000282 1 4 C LEU 4 N ASJ 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000282 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000282 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000282 1 1 ACE ?   N Y 
PRD_000282 1 2 ASP ASP N Y 
PRD_000282 1 3 ASN ASN N Y 
PRD_000282 1 4 LEU LEU N Y 
PRD_000282 1 5 ASJ ASN N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000282 2012-02-03 RCSB "Create molecule"    
PRD_000282 2012-07-09 PDBE "Other modification" 
PRD_000282 2012-12-12 RCSB "Initial release"    
PRD_000282 2013-06-03 RCSB "Other modification" 
PRD_000282 2020-07-29 RCSB "Other modification" 
PRD_000282 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000283
# 
_pdbx_reference_molecule.prd_id                       PRD_000283 
_pdbx_reference_molecule.name                         
;N-(6-aminohexanoyl)-3-methyl-L-valyl-3-methyl-L-valyl-N~4~,N~4~-dimethyl-N~1~-[(1R)-1-methyl-2,3-dioxo-3-{[(1S)-1-
phenylpropyl]amino}propyl]-L-aspartamide
;
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C37 H63 N7 O7" 
_pdbx_reference_molecule.formula_weight               717.939 
_pdbx_reference_molecule.chem_comp_id                 0FP 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1nkm 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000283 
_pdbx_reference_entity_subcomponents.seq            "ACA TBG TBG DMH 9AL" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0FP 
# 
_pdbx_reference_entity_list.prd_id          PRD_000283 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000283 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000283 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000283 1 1 ACA .   N Y 
PRD_000283 1 2 TBG VAL N Y 
PRD_000283 1 3 TBG VAL N Y 
PRD_000283 1 4 DMH ASN N Y 
PRD_000283 1 5 9AL .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000283 1 1 1 C ACA 1 N TBG 2 SING ? ? ? 
PRD_000283 1 1 2 C TBG 2 N TBG 3 SING ? ? ? 
PRD_000283 1 1 3 C TBG 3 N DMH 4 SING ? ? ? 
PRD_000283 1 1 4 C DMH 4 N 9AL 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000283 2012-02-08 RCSB "Create molecule"    
PRD_000283 2012-05-01 RCSB "Other modification" 
PRD_000283 2012-07-09 PDBE "Other modification" 
PRD_000283 2012-12-12 RCSB "Initial release"    
PRD_000283 2017-05-04 RCSB "Other modification" 
PRD_000283 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000284
# 
_pdbx_reference_molecule.prd_id                       PRD_000284 
_pdbx_reference_molecule.name                         AC-DQMD-CHO 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H33 N5 O10 S" 
_pdbx_reference_molecule.formula_weight               535.569 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2ql9 
# 
_pdbx_reference_entity_list.prd_id          PRD_000284 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "INHIBITOR AC-DQMD-CHO" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000284 1 1 C ACE 1 N ASP 2 sing 1 ? ? ? 
PRD_000284 1 2 C ASP 2 N GLN 3 sing 1 ? ? ? 
PRD_000284 1 3 C GLN 3 N MET 4 sing 1 ? ? ? 
PRD_000284 1 4 C MET 4 N ASJ 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000284 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000284 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000284 1 1 ACE ?   N Y 
PRD_000284 1 2 ASP ASP N Y 
PRD_000284 1 3 GLN GLN N Y 
PRD_000284 1 4 MET MET N Y 
PRD_000284 1 5 ASJ ASN N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000284 2012-02-03 RCSB "Create molecule"    
PRD_000284 2012-07-09 PDBE "Other modification" 
PRD_000284 2012-12-12 RCSB "Initial release"    
PRD_000284 2013-06-03 RCSB "Other modification" 
PRD_000284 2020-07-29 RCSB "Other modification" 
PRD_000284 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000285
# 
_pdbx_reference_molecule.prd_id                       PRD_000285 
_pdbx_reference_molecule.name                         "L-tryptophyl-L-tyrosyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl)butyl]-L-threoninamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H44 Cl N8 O6" 
_pdbx_reference_molecule.formula_weight               660.184 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2puq 
# 
_pdbx_reference_entity_list.prd_id          PRD_000285 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "TRP-TYR-THR-ARG CHLOROMETHYLKETONE INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000285 1 1 C TRP 1 N  TYR 2 sing 1 ? ? ? 
PRD_000285 1 2 C TYR 2 N  THR 3 sing 1 ? ? ? 
PRD_000285 1 3 C THR 3 N  AR7 4 sing 1 ? ? ? 
PRD_000285 1 4 C AR7 4 C1 0QE 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000285 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000285 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000285 1 1 TRP TRP N N 
PRD_000285 1 2 TYR TYR N Y 
PRD_000285 1 3 THR THR N Y 
PRD_000285 1 4 AR7 ARG N Y 
PRD_000285 1 5 0QE ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000285 2012-04-30 RCSB "Create molecule"    
PRD_000285 2012-07-09 PDBE "Other modification" 
PRD_000285 2012-12-12 RCSB "Initial release"    
PRD_000285 2013-06-03 RCSB "Other modification" 
PRD_000285 2020-07-29 RCSB "Other modification" 
PRD_000285 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000286
# 
_pdbx_reference_molecule.prd_id                       PRD_000286 
_pdbx_reference_molecule.name                         "D-valyl-N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-L-leucinamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H36 Cl N4 O3" 
_pdbx_reference_molecule.formula_weight               391.956 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1s4v 
# 
_pdbx_reference_entity_list.prd_id          PRD_000286 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "DVA-LEU-LYS-0QE PEPTIDE" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000286 1 1 C DVA 1 N  LEU 2 sing 1 ? ? ? 
PRD_000286 1 2 C LEU 2 N  LYS 3 sing 1 ? ? ? 
PRD_000286 1 3 C LYS 3 C1 0QE 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000286 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000286 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000286 1 1 DVA VAL N Y 
PRD_000286 1 2 LEU LEU N Y 
PRD_000286 1 3 LYS LYS N Y 
PRD_000286 1 4 0QE ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000286 2012-04-30 RCSB "Create molecule"    
PRD_000286 2012-07-09 PDBE "Other modification" 
PRD_000286 2012-12-12 RCSB "Initial release"    
PRD_000286 2013-06-03 RCSB "Other modification" 
PRD_000286 2020-07-29 RCSB "Other modification" 
PRD_000286 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000287
# 
_pdbx_reference_molecule.prd_id                       PRD_000287 
_pdbx_reference_molecule.name                         "dansyl-Glu-Gly-Arg chloromethyl ketone" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H39 Cl N7 O7 S" 
_pdbx_reference_molecule.formula_weight               629.149 
_pdbx_reference_molecule.chem_comp_id                 0GE 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1cvw 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000287 
_pdbx_reference_entity_subcomponents.seq            "ANS GLU GLY AR7 0QE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0GE 
# 
_pdbx_reference_entity_list.prd_id          PRD_000287 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "DEGR-CK INHIBITOR (ANS-GLU-GLY-AR7-0QE)" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000287 1 1 S ANS 1 N  GLU 2 sing 1 ? ? ? 
PRD_000287 1 2 C GLU 2 N  GLY 3 sing 1 ? ? ? 
PRD_000287 1 3 C GLY 3 N  AR7 4 sing 1 ? ? ? 
PRD_000287 1 4 C AR7 4 C1 0QE 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000287 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000287 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000287 1 1 ANS ?   N Y 
PRD_000287 1 2 GLU GLU N Y 
PRD_000287 1 3 GLY GLY N Y 
PRD_000287 1 4 AR7 ARG N Y 
PRD_000287 1 5 0QE ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000287 2012-04-30 RCSB "Create molecule"       
PRD_000287 2012-07-09 PDBE "Other modification"    
PRD_000287 2013-02-18 RCSB "Modify representation" 
PRD_000287 2012-12-12 RCSB "Initial release"       
PRD_000287 2013-02-27 RCSB "Other modification"    
PRD_000287 2013-06-03 RCSB "Other modification"    
PRD_000287 2023-09-20 PDBE "Modify audit"          
# 
data_PRD_000288
# 
_pdbx_reference_molecule.prd_id                       PRD_000288 
_pdbx_reference_molecule.name                         "GLU-GLY-ARG-CHLOROMETHYL KETONE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C14 H28 Cl N6 O5" 
_pdbx_reference_molecule.formula_weight               395.862 
_pdbx_reference_molecule.chem_comp_id                 0GJ 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1a5i 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000288 
_pdbx_reference_entity_subcomponents.seq            "GLU GLY AR7 0QE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0GJ 
# 
_pdbx_reference_entity_list.prd_id          PRD_000288 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000288 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000288 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000288 1 1 GLU GLU N Y 
PRD_000288 1 2 GLY GLY N Y 
PRD_000288 1 3 AR7 ARG N Y 
PRD_000288 1 4 0QE .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000288 1 1 1 C  GLU 1 N  GLY 2 SING ? ? ? 
PRD_000288 1 1 2 C  GLY 2 N  AR7 3 SING ? ? ? 
PRD_000288 1 1 3 CF AR7 3 C1 0QE 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000288 2012-02-08 RCSB "Create molecule"    
PRD_000288 2012-05-01 RCSB "Other modification" 
PRD_000288 2012-07-09 PDBE "Other modification" 
PRD_000288 2012-12-12 RCSB "Initial release"    
PRD_000288 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000289
# 
_pdbx_reference_molecule.prd_id                       PRD_000289 
_pdbx_reference_molecule.name                         "BETA-SECRETASE INHIBITOR OM00-3" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C44 H69 N7 O15" 
_pdbx_reference_molecule.formula_weight               936.057 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1m4h 
# 
_pdbx_reference_entity_list.prd_id          PRD_000289 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 7" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000289 1 1 C GLU 1 N LEU 2 sing 1 ? ? ? 
PRD_000289 1 2 C LEU 2 N ASP 3 sing 1 ? ? ? 
PRD_000289 1 3 C ASP 3 N 1OL 4 sing 1 ? ? ? 
PRD_000289 1 4 C 1OL 4 N VAL 5 sing 1 ? ? ? 
PRD_000289 1 5 C VAL 5 N GLU 6 sing 1 ? ? ? 
PRD_000289 1 6 C GLU 6 N PHE 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000289 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000289 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000289 1 1 GLU GLU N Y 
PRD_000289 1 2 LEU LEU N Y 
PRD_000289 1 3 ASP ASP N Y 
PRD_000289 1 4 1OL ?   N Y 
PRD_000289 1 5 VAL VAL N Y 
PRD_000289 1 6 GLU GLU N Y 
PRD_000289 1 7 PHE PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000289 2012-02-01 RCSB "Create molecule"    
PRD_000289 2012-07-09 PDBE "Other modification" 
PRD_000289 2012-12-12 RCSB "Initial release"    
PRD_000289 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000290
# 
_pdbx_reference_molecule.prd_id                       PRD_000290 
_pdbx_reference_molecule.name                         "BETA-SECRETASE INHIBITOR OM99-2" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C41 H64 N8 O14" 
_pdbx_reference_molecule.formula_weight               892.992 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1fkn 
# 
_pdbx_reference_entity_list.prd_id          PRD_000290 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 7" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000290 1 1 C GLU 1 N VAL 2 sing 1 ? ? ? 
PRD_000290 1 2 C VAL 2 N ASN 3 sing 1 ? ? ? 
PRD_000290 1 3 C ASN 3 N 1OL 4 sing 1 ? ? ? 
PRD_000290 1 4 C 1OL 4 N ALA 5 sing 1 ? ? ? 
PRD_000290 1 5 C ALA 5 N GLU 6 sing 1 ? ? ? 
PRD_000290 1 6 C GLU 6 N PHE 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000290 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000290 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000290 1 1 GLU GLU N Y 
PRD_000290 1 2 VAL VAL N Y 
PRD_000290 1 3 ASN ASN N Y 
PRD_000290 1 4 1OL ?   N Y 
PRD_000290 1 5 ALA ALA N Y 
PRD_000290 1 6 GLU GLU N Y 
PRD_000290 1 7 PHE PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000290 2012-02-03 RCSB "Create molecule"    
PRD_000290 2012-07-09 PDBE "Other modification" 
PRD_000290 2012-12-12 RCSB "Initial release"    
PRD_000290 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000291
# 
_pdbx_reference_molecule.prd_id                       PRD_000291 
_pdbx_reference_molecule.name                         "BETA-SECRETASE INHIBITOR NVP-AUR200" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C34 H61 N5 O7 S" 
_pdbx_reference_molecule.formula_weight               683.942 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1ym2 
# 
_pdbx_reference_entity_list.prd_id          PRD_000291 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 6" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000291 1 1 C ACE 1 N LEU 2 sing 1 ? ? ? 
PRD_000291 1 2 C LEU 2 N MET 3 sing 1 ? ? ? 
PRD_000291 1 3 C MET 3 N 24O 4 sing 1 ? ? ? 
PRD_000291 1 4 C 24O 4 N VAL 5 sing 1 ? ? ? 
PRD_000291 1 5 C VAL 5 N LYT 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000291 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000291 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000291 1 1 ACE ?   N Y 
PRD_000291 1 2 LEU LEU N Y 
PRD_000291 1 3 MET MET N Y 
PRD_000291 1 4 24O ?   N Y 
PRD_000291 1 5 VAL VAL N Y 
PRD_000291 1 6 LYT ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000291 2012-02-01 RCSB "Create molecule"    
PRD_000291 2012-07-09 PDBE "Other modification" 
PRD_000291 2012-12-12 RCSB "Initial release"    
PRD_000291 2023-09-20 PDBE "Modify audit"       
PRD_000291 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000292
# 
_pdbx_reference_molecule.prd_id                       PRD_000292 
_pdbx_reference_molecule.name                         "BETA-SECRETASE INHIBITOR NVP-AMK640" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H50 N6 O10" 
_pdbx_reference_molecule.formula_weight               642.741 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1ym4 
# 
_pdbx_reference_entity_list.prd_id          PRD_000292 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 5" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000292 1 1 C GLU 1 N VAL 2 sing 1 ? ? ? 
PRD_000292 1 2 C VAL 2 N ASN 3 sing 1 ? ? ? 
PRD_000292 1 3 C ASN 3 N 24M 4 sing 1 ? ? ? 
PRD_000292 1 4 C 24M 4 N ALA 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000292 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000292 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000292 1 1 GLU GLU N Y 
PRD_000292 1 2 VAL VAL N Y 
PRD_000292 1 3 ASN ASN N Y 
PRD_000292 1 4 24M LEU N Y 
PRD_000292 1 5 ALA ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000292 2012-02-01 RCSB "Create molecule"    
PRD_000292 2012-07-09 PDBE "Other modification" 
PRD_000292 2012-12-12 RCSB "Initial release"    
PRD_000292 2023-09-20 PDBE "Modify audit"       
PRD_000292 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000293
# 
_pdbx_reference_molecule.prd_id                       PRD_000293 
_pdbx_reference_molecule.name                         "INHIBITOR AC-ESMD-CHO" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C19 H32 N4 O10 S" 
_pdbx_reference_molecule.formula_weight               508.543 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2qlb 
# 
_pdbx_reference_entity_list.prd_id          PRD_000293 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "INHIBITOR AC-ESMD-CHO" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000293 1 1 C ACE 1 N GLU 2 sing 1 ? ? ? 
PRD_000293 1 2 C GLU 2 N SER 3 sing 1 ? ? ? 
PRD_000293 1 3 C SER 3 N MET 4 sing 1 ? ? ? 
PRD_000293 1 4 C MET 4 N ASJ 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000293 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000293 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000293 1 1 ACE ?   N Y 
PRD_000293 1 2 GLU GLU N Y 
PRD_000293 1 3 SER SER N Y 
PRD_000293 1 4 MET MET N Y 
PRD_000293 1 5 ASJ ASN N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000293 2012-02-03 RCSB "Create molecule"    
PRD_000293 2012-07-09 PDBE "Other modification" 
PRD_000293 2012-12-12 RCSB "Initial release"    
PRD_000293 2013-06-03 RCSB "Other modification" 
PRD_000293 2020-07-29 RCSB "Other modification" 
PRD_000293 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000295
# 
_pdbx_reference_molecule.prd_id                       PRD_000295 
_pdbx_reference_molecule.name                         "GLU-VAL-DEHYDROXYMETHYLASPARTIC ACID INHIBITOR" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H30 Cl N3 O9" 
_pdbx_reference_molecule.formula_weight               527.952 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1qdu 
# 
_pdbx_reference_entity_list.prd_id          PRD_000295 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "TRIPEPTIDE KETONE INHIBITOR ZEVD-DCBMK" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000295 1 1 C1 PHQ 1 N  GLU 2 sing 1 ? ? ? 
PRD_000295 1 2 C  GLU 2 N  VAL 3 sing 1 ? ? ? 
PRD_000295 1 3 C  VAL 3 N  ASP 4 sing 1 ? ? ? 
PRD_000295 1 4 C  ASP 4 C1 0QE 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000295 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000295 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000295 1 1 PHQ ?   N Y 
PRD_000295 1 2 GLU GLU N Y 
PRD_000295 1 3 VAL VAL N Y 
PRD_000295 1 4 ASP ASP N Y 
PRD_000295 1 5 0QE ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000295 2012-04-30 RCSB "Create molecule"    
PRD_000295 2012-07-09 PDBE "Other modification" 
PRD_000295 2012-12-12 RCSB "Initial release"    
PRD_000295 2013-06-03 RCSB "Other modification" 
PRD_000295 2020-07-29 RCSB "Other modification" 
PRD_000295 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000296
# 
_pdbx_reference_molecule.prd_id                       PRD_000296 
_pdbx_reference_molecule.name                         MERCK-KGAA-EMD56133 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C41 H64 N10 O6" 
_pdbx_reference_molecule.formula_weight               793.010 
_pdbx_reference_molecule.chem_comp_id                 0GQ 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1e80 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000296 
_pdbx_reference_entity_subcomponents.seq            "MRM PHE BAL CHS ILE NSP" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0GQ 
# 
_pdbx_reference_entity_list.prd_id          PRD_000296 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000296 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000296 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000296 1 1 MRM .   N Y 
PRD_000296 1 2 PHE PHE N Y 
PRD_000296 1 3 BAL .   N Y 
PRD_000296 1 4 CHS .   N Y 
PRD_000296 1 5 ILE ILE N Y 
PRD_000296 1 6 NSP .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000296 1 1 1 C MRM 1 N PHE 2 SING ? ? ? 
PRD_000296 1 1 2 C PHE 2 N BAL 3 SING ? ? ? 
PRD_000296 1 1 3 C BAL 3 N CHS 4 SING ? ? ? 
PRD_000296 1 1 4 C CHS 4 N ILE 5 SING ? ? ? 
PRD_000296 1 1 5 C ILE 5 N NSP 6 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000296 2012-02-08 RCSB "Create molecule"    
PRD_000296 2012-05-01 RCSB "Other modification" 
PRD_000296 2012-07-09 PDBE "Other modification" 
PRD_000296 2012-12-12 RCSB "Initial release"    
PRD_000296 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000297
# 
_pdbx_reference_molecule.prd_id                       PRD_000297 
_pdbx_reference_molecule.name                         "N-(furan-2-ylcarbonyl)-L-leucyl-L-tryptophan" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H25 N3 O5" 
_pdbx_reference_molecule.formula_weight               411.451 
_pdbx_reference_molecule.chem_comp_id                 0GR 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2aig 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000297 
_pdbx_reference_entity_subcomponents.seq            "FOA LEU TRP" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0GR 
# 
_pdbx_reference_entity_list.prd_id          PRD_000297 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000297 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000297 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000297 1 1 FOA .   N Y 
PRD_000297 1 2 LEU LEU N Y 
PRD_000297 1 3 TRP TRP N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000297 1 1 1 C1 FOA 1 N LEU 2 SING ? ? ? 
PRD_000297 1 1 2 C  LEU 2 N TRP 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000297 2012-02-08 RCSB "Create molecule"    
PRD_000297 2012-05-01 RCSB "Other modification" 
PRD_000297 2012-07-09 PDBE "Other modification" 
PRD_000297 2012-12-12 RCSB "Initial release"    
PRD_000297 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000298
# 
_pdbx_reference_molecule.prd_id                       PRD_000298 
_pdbx_reference_molecule.name                         
;N-[(2R)-3-phenyl-2-{[L-prolyl-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}propyl]-L-phenylalanyl-L-valylty
rosine
;
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C58 H72 N12 O9" 
_pdbx_reference_molecule.formula_weight               1081.267 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3apr 
# 
_pdbx_reference_entity_list.prd_id          PRD_000298 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "REDUCED PEPTIDE INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000298 1 1 C DHI 1 N PRO 2 sing 1 ? ? ? 
PRD_000298 1 2 C PRO 2 N PHE 3 sing 1 ? ? ? 
PRD_000298 1 3 C PHE 3 N HIS 4 sing 1 ? ? ? 
PRD_000298 1 4 C HIS 4 N PUK 5 sing 1 ? ? ? 
PRD_000298 1 5 C PUK 5 N VAL 6 sing 1 ? ? ? 
PRD_000298 1 6 C VAL 6 N TYR 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000298 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000298 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000298 1 1 DHI HIS N N 
PRD_000298 1 2 PRO PRO N Y 
PRD_000298 1 3 PHE PHE N Y 
PRD_000298 1 4 HIS HIS N Y 
PRD_000298 1 5 PUK PHE N Y 
PRD_000298 1 6 VAL VAL N Y 
PRD_000298 1 7 TYR TYR N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000298 2012-02-03 RCSB "Create molecule"    
PRD_000298 2012-07-09 PDBE "Other modification" 
PRD_000298 2012-12-12 RCSB "Initial release"    
PRD_000298 2013-06-03 RCSB "Other modification" 
PRD_000298 2020-07-29 RCSB "Other modification" 
PRD_000298 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000300
# 
_pdbx_reference_molecule.prd_id                       PRD_000300 
_pdbx_reference_molecule.name                         "N-acetyl-L-isoleucyl-L-alpha-glutamyl-N-[(1S)-2-carboxy-1-formylethyl]-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H36 N4 O9" 
_pdbx_reference_molecule.formula_weight               500.543 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2ql7 
# 
_pdbx_reference_entity_list.prd_id          PRD_000300 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "INHIBITOR AC-IEPD-CHO" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000300 1 1 C ACE 1 N ILE 2 sing 1 ? ? ? 
PRD_000300 1 2 C ILE 2 N GLU 3 sing 1 ? ? ? 
PRD_000300 1 3 C GLU 3 N PRO 4 sing 1 ? ? ? 
PRD_000300 1 4 C PRO 4 N ASJ 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000300 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000300 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000300 1 1 ACE ?   N Y 
PRD_000300 1 2 ILE ILE N Y 
PRD_000300 1 3 GLU GLU N Y 
PRD_000300 1 4 PRO PRO N Y 
PRD_000300 1 5 ASJ ASN N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000300 2012-02-03 RCSB "Create molecule"    
PRD_000300 2012-07-09 PDBE "Other modification" 
PRD_000300 2012-12-12 RCSB "Initial release"    
PRD_000300 2013-06-03 RCSB "Other modification" 
PRD_000300 2020-06-16 RCSB "Other modification" 
PRD_000300 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000301
# 
_pdbx_reference_molecule.prd_id                       PRD_000301 
_pdbx_reference_molecule.name                         "N-(2-oxoethyl)-L-isoleucyl-L-alpha-glutamyl-N-[(1R)-2-carboxy-1-formylethyl]-L-threoninamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H36 N4 O10" 
_pdbx_reference_molecule.formula_weight               504.531 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1qtn 
# 
_pdbx_reference_entity_list.prd_id          PRD_000301 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "TETRAPEPTIDE INHIBITOR ACE-IETD-ALDEHYDE" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000301 1 1 C ACE 1 N ILE 2 sing 1 ? ? ? 
PRD_000301 1 2 C ILE 2 N GLU 3 sing 1 ? ? ? 
PRD_000301 1 3 C GLU 3 N THR 4 sing 1 ? ? ? 
PRD_000301 1 4 C THR 4 N ASJ 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000301 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000301 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000301 1 1 ACE ?   N Y 
PRD_000301 1 2 ILE ILE N Y 
PRD_000301 1 3 GLU GLU N Y 
PRD_000301 1 4 THR THR N Y 
PRD_000301 1 5 ASJ ASN N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000301 2012-02-08 RCSB "Create molecule"    
PRD_000301 2012-07-09 PDBE "Other modification" 
PRD_000301 2012-12-12 RCSB "Initial release"    
PRD_000301 2013-06-03 RCSB "Other modification" 
PRD_000301 2020-07-29 RCSB "Other modification" 
PRD_000301 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000306
# 
_pdbx_reference_molecule.prd_id                       PRD_000306 
_pdbx_reference_molecule.name                         "KPFS-(CH2-NH)-LQF peptidomimetic inhibitor of PfPM1" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C49 H77 N10 O10" 
_pdbx_reference_molecule.formula_weight               966.197 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2r9b 
# 
_pdbx_reference_entity_list.prd_id          PRD_000306 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE-BASED INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000306 1 1 C LYS 1 N PRO 2 sing 1 ? ? ? 
PRD_000306 1 2 C PRO 2 N PHE 3 sing 1 ? ? ? 
PRD_000306 1 3 C PHE 3 N SER 4 sing 1 ? ? ? 
PRD_000306 1 4 C SER 4 N DCL 5 sing 1 ? ? ? 
PRD_000306 1 5 C DCL 5 N LEU 6 sing 1 ? ? ? 
PRD_000306 1 6 C LEU 6 N GLN 7 sing 1 ? ? ? 
PRD_000306 1 7 C GLN 7 N PHE 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000306 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000306 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000306 1 1 LYS LYS N Y 
PRD_000306 1 2 PRO PRO N Y 
PRD_000306 1 3 PHE PHE N Y 
PRD_000306 1 4 SER SER N Y 
PRD_000306 1 5 DCL ?   N Y 
PRD_000306 1 6 LEU LEU N Y 
PRD_000306 1 7 GLN GLN N Y 
PRD_000306 1 8 PHE PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000306 2012-02-01 RCSB "Create molecule"    
PRD_000306 2012-07-09 PDBE "Other modification" 
PRD_000306 2012-12-12 RCSB "Initial release"    
PRD_000306 2013-06-03 RCSB "Other modification" 
PRD_000306 2020-07-29 RCSB "Other modification" 
PRD_000306 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000307
# 
_pdbx_reference_molecule.prd_id                       PRD_000307 
_pdbx_reference_molecule.name                         "N-acetyl-6-ammonio-L-norleucyl-L-glutaminyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl)butyl]-L-leucinamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H52 Cl N9 O6" 
_pdbx_reference_molecule.formula_weight               622.201 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1z8g 
# 
_pdbx_reference_entity_list.prd_id          PRD_000307 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "COVALENTLY BOUND PREFERRED SUBSTRATE, ACE-LYS-GLN-LEU-ARG-CHLOROMETHYLKETONE" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000307 1 1 C ACE 1 N  LYS 2 sing 1 ? ? ? 
PRD_000307 1 2 C LYS 2 N  GLN 3 sing 1 ? ? ? 
PRD_000307 1 3 C GLN 3 N  LEU 4 sing 1 ? ? ? 
PRD_000307 1 4 C LEU 4 N  AR7 5 sing 1 ? ? ? 
PRD_000307 1 5 C AR7 5 C1 0QE 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000307 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000307 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000307 1 1 ACE ?   N Y 
PRD_000307 1 2 LYS LYS N Y 
PRD_000307 1 3 GLN GLN N Y 
PRD_000307 1 4 LEU LEU N Y 
PRD_000307 1 5 AR7 ARG N Y 
PRD_000307 1 6 0QE ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000307 2012-04-30 RCSB "Create molecule"    
PRD_000307 2012-07-09 PDBE "Other modification" 
PRD_000307 2012-12-12 RCSB "Initial release"    
PRD_000307 2013-06-03 RCSB "Other modification" 
PRD_000307 2020-07-29 RCSB "Other modification" 
PRD_000307 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000308
# 
_pdbx_reference_molecule.prd_id                       PRD_000308 
_pdbx_reference_molecule.name                         "methyl N-[(3R)-3-amino-5-methyl-2-oxohexyl]-L-valyl-L-isoleucyl-L-phenylalaninate" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H48 N4 O5" 
_pdbx_reference_molecule.formula_weight               520.705 
_pdbx_reference_molecule.chem_comp_id                 0HT 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5er1 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000308 
_pdbx_reference_entity_subcomponents.seq            "GKL ILE 0A9" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0HT 
# 
_pdbx_reference_entity_list.prd_id          PRD_000308 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000308 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000308 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000308 1 1 GKL .   N Y 
PRD_000308 1 2 ILE ILE N Y 
PRD_000308 1 3 0A9 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000308 1 1 1 C GKL 1 N ILE 2 SING ? ? ? 
PRD_000308 1 1 2 C ILE 2 N 0A9 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000308 2012-02-08 RCSB "Create molecule"    
PRD_000308 2012-05-01 RCSB "Other modification" 
PRD_000308 2012-07-09 PDBE "Other modification" 
PRD_000308 2012-12-12 RCSB "Initial release"    
PRD_000308 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000309
# 
_pdbx_reference_molecule.prd_id                       PRD_000309 
_pdbx_reference_molecule.name                         "L-leucyl-N-(2-oxopropyl)-L-phenylalaninamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H31 N5 O5" 
_pdbx_reference_molecule.formula_weight               493.555 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1khp 
# 
_pdbx_reference_entity_list.prd_id          PRD_000309 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDIC INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000309 1 1 C1 PHQ 1 N  LEU 2 sing 1 ? ? ? 
PRD_000309 1 2 C  LEU 2 N  PHE 3 sing 1 ? ? ? 
PRD_000309 1 3 C  PHE 3 N  GLY 4 sing 1 ? ? ? 
PRD_000309 1 4 C  GLY 4 C1 0HQ 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000309 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000309 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000309 1 1 PHQ ?   N N 
PRD_000309 1 2 LEU LEU N Y 
PRD_000309 1 3 PHE PHE N Y 
PRD_000309 1 4 GLY GLY N Y 
PRD_000309 1 5 0HQ ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000309 2012-02-03 RCSB "Create molecule"    
PRD_000309 2012-07-09 PDBE "Other modification" 
PRD_000309 2012-12-12 RCSB "Initial release"    
PRD_000309 2013-06-03 RCSB "Other modification" 
PRD_000309 2020-07-29 RCSB "Other modification" 
PRD_000309 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000310
# 
_pdbx_reference_molecule.prd_id                       PRD_000310 
_pdbx_reference_molecule.name                         "CA030, ethyl ester of epoxysuccinyl-Ile-Pro-OH" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C17 H28 N2 O7" 
_pdbx_reference_molecule.formula_weight               372.413 
_pdbx_reference_molecule.chem_comp_id                 EP0 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1csb 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000310 
_pdbx_reference_entity_subcomponents.seq            "0A6 ILE PRO" 
_pdbx_reference_entity_subcomponents.chem_comp_id   EP0 
# 
_pdbx_reference_entity_list.prd_id          PRD_000310 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000310 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000310 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000310 1 1 0A6 .   N Y 
PRD_000310 1 2 ILE ILE N Y 
PRD_000310 1 3 PRO PRO N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000310 1 1 1 C06 0A6 1 N ILE 2 SING ? ? ? 
PRD_000310 1 1 2 C   ILE 2 N PRO 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000310 2012-02-08 RCSB "Create molecule"    
PRD_000310 2012-05-01 RCSB "Other modification" 
PRD_000310 2012-07-09 PDBE "Other modification" 
PRD_000310 2012-12-12 RCSB "Initial release"    
PRD_000310 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000312
# 
_pdbx_reference_molecule.prd_id                       PRD_000312 
_pdbx_reference_molecule.name                         Morpholino-Leu-homoPhe-FMK 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H32 F N3 O4" 
_pdbx_reference_molecule.formula_weight               421.506 
_pdbx_reference_molecule.chem_comp_id                 0I5 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1ewp 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000312 
_pdbx_reference_entity_subcomponents.seq            "MOR LEU HPE CF0" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0I5 
# 
_pdbx_reference_entity_list.prd_id          PRD_000312 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000312 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000312 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000312 1 1 MOR .   N Y 
PRD_000312 1 2 LEU LEU N Y 
PRD_000312 1 3 HPE PHE N Y 
PRD_000312 1 4 CF0 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000312 1 1 1 C MOR 1 N  LEU 2 SING ? ? ? 
PRD_000312 1 1 2 C LEU 2 N  HPE 3 SING ? ? ? 
PRD_000312 1 1 3 C HPE 3 C1 CF0 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000312 2012-02-08 RCSB "Create molecule"    
PRD_000312 2012-05-01 RCSB "Other modification" 
PRD_000312 2012-07-09 PDBE "Other modification" 
PRD_000312 2012-12-12 RCSB "Initial release"    
PRD_000312 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000313
# 
_pdbx_reference_molecule.prd_id                       PRD_000313 
_pdbx_reference_molecule.name                         MeOSuc-Ala-Ala-Pro-boroIle 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H37 B N4 O8" 
_pdbx_reference_molecule.formula_weight               484.351 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1p04 
# 
_pdbx_reference_entity_list.prd_id          PRD_000313 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "Ser-covalently bound reaction intermediate analogue, METHOXYSUCCINYL-ALA-ALA-PRO-ISOLEUCINE BORONIC ACID" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000313 1 1 N ALA 2 C1 MSU 1 sing 1 ? ? ? 
PRD_000313 1 2 N ALA 3 C  ALA 2 sing 1 ? ? ? 
PRD_000313 1 3 N PRO 4 C  ALA 3 sing 1 ? ? ? 
PRD_000313 1 4 N B2I 5 C  PRO 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000313 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000313 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000313 1 1 MSU ?   N N 
PRD_000313 1 2 ALA ALA N Y 
PRD_000313 1 3 ALA ALA N Y 
PRD_000313 1 4 PRO PRO N Y 
PRD_000313 1 5 B2I ILE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000313 2012-02-01 RCSB "Create molecule"    
PRD_000313 2012-07-09 PDBE "Other modification" 
PRD_000313 2012-12-12 RCSB "Initial release"    
PRD_000313 2013-06-03 RCSB "Other modification" 
PRD_000313 2020-07-29 RCSB "Other modification" 
PRD_000313 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000314
# 
_pdbx_reference_molecule.prd_id                       PRD_000314 
_pdbx_reference_molecule.name                         "METHOXYSUCCINYL-ALA-ALA-PRO-ALANINE BORONIC ACID" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H31 B N4 O8" 
_pdbx_reference_molecule.formula_weight               442.272 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1gbb 
# 
_pdbx_reference_entity_list.prd_id          PRD_000314 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "METHOXYSUCCINYL-ALA-ALA-PRO-ALANINE BORONIC ACID INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000314 1 1 N ALA 2 C1 MSU 1 sing 1 ? ? ? 
PRD_000314 1 2 N ALA 3 C  ALA 2 sing 1 ? ? ? 
PRD_000314 1 3 N PRO 4 C  ALA 3 sing 1 ? ? ? 
PRD_000314 1 4 N B2A 5 C  PRO 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000314 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000314 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000314 1 1 MSU ?   N N 
PRD_000314 1 2 ALA ALA N Y 
PRD_000314 1 3 ALA ALA N Y 
PRD_000314 1 4 PRO PRO N Y 
PRD_000314 1 5 B2A ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000314 2012-02-01 RCSB "Create molecule"    
PRD_000314 2012-07-09 PDBE "Other modification" 
PRD_000314 2012-12-12 RCSB "Initial release"    
PRD_000314 2013-06-03 RCSB "Other modification" 
PRD_000314 2020-07-29 RCSB "Other modification" 
PRD_000314 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000315
# 
_pdbx_reference_molecule.prd_id                       PRD_000315 
_pdbx_reference_molecule.name                         O-methylsuccinyl-alanyl-alanyl-prolyl-borophenylalanine 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H35 B N4 O8" 
_pdbx_reference_molecule.formula_weight               518.368 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1gbd 
# 
_pdbx_reference_entity_list.prd_id          PRD_000315 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "METHOXYSUCCINYL-ALA-ALA-PRO-PHENYLALANINE BORONIC ACID" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000315 1 1 N ALA 2 C1 MSU 1 sing 1 ? ? ? 
PRD_000315 1 2 N ALA 3 C  ALA 2 sing 1 ? ? ? 
PRD_000315 1 3 N PRO 4 C  ALA 3 sing 1 ? ? ? 
PRD_000315 1 4 N B2F 5 C  PRO 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000315 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000315 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000315 1 1 MSU ?   N N 
PRD_000315 1 2 ALA ALA N Y 
PRD_000315 1 3 ALA ALA N Y 
PRD_000315 1 4 PRO PRO N Y 
PRD_000315 1 5 B2F PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000315 2012-02-01 RCSB "Create molecule"    
PRD_000315 2012-07-09 PDBE "Other modification" 
PRD_000315 2012-12-12 RCSB "Initial release"    
PRD_000315 2013-06-03 RCSB "Other modification" 
PRD_000315 2020-07-29 RCSB "Other modification" 
PRD_000315 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000316
# 
_pdbx_reference_molecule.prd_id                       PRD_000316 
_pdbx_reference_molecule.name                         "METHOXYSUCCINYL-ALA-ALA-PRO-VALINE BORONIC ACID" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H35 B N4 O8" 
_pdbx_reference_molecule.formula_weight               470.325 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2lpr 
# 
_pdbx_reference_entity_list.prd_id          PRD_000316 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "METHOXYSUCCINYL-ALA-ALA-PRO-VALINE BORONIC ACID INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000316 1 1 N ALA 2 C1 MSU 1 sing 1 ? ? ? 
PRD_000316 1 2 N ALA 3 C  ALA 2 sing 1 ? ? ? 
PRD_000316 1 3 N PRO 4 C  ALA 3 sing 1 ? ? ? 
PRD_000316 1 4 N B2V 5 C  PRO 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000316 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000316 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000316 1 1 MSU ?   N N 
PRD_000316 1 2 ALA ALA N Y 
PRD_000316 1 3 ALA ALA N Y 
PRD_000316 1 4 PRO PRO N Y 
PRD_000316 1 5 B2V VAL N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000316 2012-02-01 RCSB "Create molecule"    
PRD_000316 2012-07-09 PDBE "Other modification" 
PRD_000316 2012-12-12 RCSB "Initial release"    
PRD_000316 2013-06-03 RCSB "Other modification" 
PRD_000316 2020-07-29 RCSB "Other modification" 
PRD_000316 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000317
# 
_pdbx_reference_molecule.prd_id                       PRD_000317 
_pdbx_reference_molecule.name                         "N-(4-methoxy-4-oxobutanoyl)-L-alanyl-L-alanyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H37 B N4 O8" 
_pdbx_reference_molecule.formula_weight               484.351 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1gbc 
# 
_pdbx_reference_entity_list.prd_id          PRD_000317 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "METHOXYSUCCINYL-ALA-ALA-PRO-LEUCINE BORONIC ACID INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000317 1 1 N ALA 2 C1 MSU 1 sing 1 ? ? ? 
PRD_000317 1 2 N ALA 3 C  ALA 2 sing 1 ? ? ? 
PRD_000317 1 3 N PRO 4 C  ALA 3 sing 1 ? ? ? 
PRD_000317 1 4 N BLE 5 C  PRO 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000317 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000317 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000317 1 1 MSU ?   N N 
PRD_000317 1 2 ALA ALA N Y 
PRD_000317 1 3 ALA ALA N Y 
PRD_000317 1 4 PRO PRO N Y 
PRD_000317 1 5 BLE LEU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000317 2012-02-01 RCSB "Create molecule"    
PRD_000317 2012-07-09 PDBE "Other modification" 
PRD_000317 2012-12-12 RCSB "Initial release"    
PRD_000317 2013-06-03 RCSB "Other modification" 
PRD_000317 2020-07-29 RCSB "Other modification" 
PRD_000317 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000318
# 
_pdbx_reference_molecule.prd_id                       PRD_000318 
_pdbx_reference_molecule.name                         "N-(4-methoxy-4-oxobutanoyl)-L-alanyl-L-alanyl-N-[(1R)-1-(dihydroxyboranyl)pentyl]-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H37 B N4 O8" 
_pdbx_reference_molecule.formula_weight               484.351 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1p05 
# 
_pdbx_reference_entity_list.prd_id          PRD_000318 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "METHOXYSUCCINYL-ALA-ALA-PRO-NORLEUCINE BORONIC ACID" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000318 1 1 N ALA 2 C1 MSU 1 sing 1 ? ? ? 
PRD_000318 1 2 N ALA 3 C  ALA 2 sing 1 ? ? ? 
PRD_000318 1 3 N PRO 4 C  ALA 3 sing 1 ? ? ? 
PRD_000318 1 4 N BNO 5 C  PRO 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000318 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000318 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000318 1 1 MSU ?   N N 
PRD_000318 1 2 ALA ALA N Y 
PRD_000318 1 3 ALA ALA N Y 
PRD_000318 1 4 PRO PRO N Y 
PRD_000318 1 5 BNO LEU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000318 2012-02-01 RCSB "Create molecule"    
PRD_000318 2012-07-09 PDBE "Other modification" 
PRD_000318 2012-12-12 RCSB "Initial release"    
PRD_000318 2013-06-03 RCSB "Other modification" 
PRD_000318 2020-07-29 RCSB "Other modification" 
PRD_000318 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000319
# 
_pdbx_reference_molecule.prd_id                       PRD_000319 
_pdbx_reference_molecule.name                         "methyl N-{(2S,4S,5S)-5-[(L-alanyl-L-alanyl)amino]-2-benzyl-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H53 N5 O7" 
_pdbx_reference_molecule.formula_weight               667.835 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1hef 
# 
_pdbx_reference_entity_list.prd_id          PRD_000319 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "SKF 108738 PEPTIDE INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000319 1 1 C ALA 1 N ALA 2 sing 1 ? ? ? 
PRD_000319 1 2 C ALA 2 N PJJ 3 sing 1 ? ? ? 
PRD_000319 1 3 C PJJ 3 N VAL 4 sing 1 ? ? ? 
PRD_000319 1 4 C VAL 4 N VME 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000319 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000319 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000319 1 1 ALA ALA N Y 
PRD_000319 1 2 ALA ALA N Y 
PRD_000319 1 3 PJJ ?   N Y 
PRD_000319 1 4 VAL VAL N Y 
PRD_000319 1 5 VME VAL N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000319 2012-02-01 RCSB "Create molecule"    
PRD_000319 2012-07-09 PDBE "Other modification" 
PRD_000319 2012-12-12 RCSB "Initial release"    
PRD_000319 2013-06-03 RCSB "Other modification" 
PRD_000319 2020-07-29 RCSB "Other modification" 
PRD_000319 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000320
# 
_pdbx_reference_molecule.prd_id                       PRD_000320 
_pdbx_reference_molecule.name                         "Ala-Ala-Phe.psi.[CH(OH)CH2]Gly-Val-Val-OCH3" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H47 N5 O7" 
_pdbx_reference_molecule.formula_weight               577.713 
_pdbx_reference_molecule.chem_comp_id                 PSI 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1aaq 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000320 
_pdbx_reference_entity_subcomponents.seq            "ALA ALA FOG VAL VME" 
_pdbx_reference_entity_subcomponents.chem_comp_id   PSI 
# 
_pdbx_reference_entity_list.prd_id          PRD_000320 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000320 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000320 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000320 1 1 ALA ALA N Y 
PRD_000320 1 2 ALA ALA N Y 
PRD_000320 1 3 FOG .   N Y 
PRD_000320 1 4 VAL VAL N Y 
PRD_000320 1 5 VME .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000320 1 1 1 C ALA 1 N ALA 2 SING ? ? ? 
PRD_000320 1 1 2 C ALA 2 N FOG 3 SING ? ? ? 
PRD_000320 1 1 3 C FOG 3 N VAL 4 SING ? ? ? 
PRD_000320 1 1 4 C VAL 4 N VME 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000320 2012-02-08 RCSB "Create molecule"    
PRD_000320 2012-05-01 RCSB "Other modification" 
PRD_000320 2012-07-09 PDBE "Other modification" 
PRD_000320 2012-12-12 RCSB "Initial release"    
PRD_000320 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000321
# 
_pdbx_reference_molecule.prd_id                       PRD_000321 
_pdbx_reference_molecule.name                         "N-{(2S)-2-[(L-asparaginyl-L-leucyl)amino]-1,1-dihydroxy-4-methylpentyl}-L-threonyl-L-glutaminyl-L-isoleucine" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H58 N8 O11" 
_pdbx_reference_molecule.formula_weight               718.839 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3b80 
# 
_pdbx_reference_entity_list.prd_id          PRD_000321 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "GEM-DIOL-AMINE INTERMEDIATE NLLTQI" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000321 1 1 C ASN 1 N   LEU 2 sing 1 ? ? ? 
PRD_000321 1 2 C LEU 2 N14 LNT 3 sing 1 ? ? ? 
PRD_000321 1 3 C LNT 3 N   GLN 4 sing 1 ? ? ? 
PRD_000321 1 4 C GLN 4 N   ILE 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000321 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000321 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000321 1 1 ASN ASN N Y 
PRD_000321 1 2 LEU LEU N Y 
PRD_000321 1 3 LNT THR N Y 
PRD_000321 1 4 GLN GLN N Y 
PRD_000321 1 5 ILE ILE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000321 2012-02-01 RCSB "Create molecule"    
PRD_000321 2012-07-09 PDBE "Other modification" 
PRD_000321 2012-12-12 RCSB "Initial release"    
PRD_000321 2013-06-03 RCSB "Other modification" 
PRD_000321 2020-07-29 RCSB "Other modification" 
PRD_000321 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000322
# 
_pdbx_reference_molecule.prd_id                       PRD_000322 
_pdbx_reference_molecule.name                         "amino({(4S)-4-[({(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}acetyl)amino]-5-oxopentyl}amino)methaniminium" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H31 N6 O5 S" 
_pdbx_reference_molecule.formula_weight               467.562 
_pdbx_reference_molecule.chem_comp_id                 0IT 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1ba8 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000322 
_pdbx_reference_entity_subcomponents.seq            "PMS NVA GLY RGL" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0IT 
# 
_pdbx_reference_entity_list.prd_id          PRD_000322 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000322 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000322 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000322 1 1 PMS .   N Y 
PRD_000322 1 2 NVA VAL N Y 
PRD_000322 1 3 GLY GLY N Y 
PRD_000322 1 4 RGL .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000322 1 1 1 CD NVA 2 N GLY 3 SING ? ? ? 
PRD_000322 1 1 2 S  PMS 1 N NVA 2 SING ? ? ? 
PRD_000322 1 1 3 C  NVA 2 N GLY 3 SING ? ? ? 
PRD_000322 1 1 4 C  GLY 3 N RGL 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000322 2012-02-08 RCSB "Create molecule"    
PRD_000322 2012-05-01 RCSB "Other modification" 
PRD_000322 2012-07-09 PDBE "Other modification" 
PRD_000322 2012-12-12 RCSB "Initial release"    
PRD_000322 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000323
# 
_pdbx_reference_molecule.prd_id                       PRD_000323 
_pdbx_reference_molecule.name                         
;(2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-[(1S,2R,3R)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-
N~4~-[2-(dimethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide
;
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C34 H53 N5 O5 S" 
_pdbx_reference_molecule.formula_weight               643.880 
_pdbx_reference_molecule.chem_comp_id                 0IU 
_pdbx_reference_molecule.release_status               OBS 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1bil 
# 
_pdbx_reference_entity_list.prd_id          PRD_000323 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            non-polymer 
_pdbx_reference_entity_list.details         "P2-P3 BUTANEDIAMIDE RENIN INHIBITOR" 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000323 
_pdbx_reference_entity_nonpoly.ref_entity_id   1 
_pdbx_reference_entity_nonpoly.name            "(2S)-2-[(2-AMINO-1,3-THIAZOL-4-YL)METHYL]-N~1~-[(1S,2R,3R)-1-(CYCLOHEXYLMETHYL)-2,3-DIHYDROXY-5-METHYLHEXYL]- N~4~-[2-(DIMETHYLAMINO)-2-OXOETHYL]-N~4~-[(1S)-1-PHENYLETHYL]BUTANEDIAMIDE" 
_pdbx_reference_entity_nonpoly.chem_comp_id    0IU 
_pdbx_reference_entity_nonpoly.details         ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000323 2012-02-01 RCSB "Create molecule"    
PRD_000323 2012-07-09 PDBE "Other modification" 
PRD_000323 2012-12-12 RCSB "Initial release"    
PRD_000323 2017-05-04 RCSB "Other modification" 
PRD_000323 2022-03-02 RCSB "Obsolete molecule"  
# 
data_PRD_000324
# 
_pdbx_reference_molecule.prd_id                       PRD_000324 
_pdbx_reference_molecule.name                         "N-(benzylsulfonyl)-L-norvalyl-N-{(1R)-2-[(3R)-1-carbamimidoylpiperidin-3-yl]-1-formylethyl}glycinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H34 N6 O5 S" 
_pdbx_reference_molecule.formula_weight               506.618 
_pdbx_reference_molecule.chem_comp_id                 0IV 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1bb0 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000324 
_pdbx_reference_entity_subcomponents.seq            "PMS NVA GLY 1PI" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0IV 
# 
_pdbx_reference_entity_list.prd_id          PRD_000324 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000324 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000324 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000324 1 1 PMS .   N Y 
PRD_000324 1 2 NVA VAL N Y 
PRD_000324 1 3 GLY GLY N Y 
PRD_000324 1 4 1PI ALA N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000324 1 1 1 CD NVA 2 N GLY 3 SING ? ? ? 
PRD_000324 1 1 2 S  PMS 1 N NVA 2 SING ? ? ? 
PRD_000324 1 1 3 C  NVA 2 N GLY 3 SING ? ? ? 
PRD_000324 1 1 4 C  GLY 3 N 1PI 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000324 2012-02-08 RCSB "Create molecule"    
PRD_000324 2012-05-01 RCSB "Other modification" 
PRD_000324 2012-07-09 PDBE "Other modification" 
PRD_000324 2012-12-12 RCSB "Initial release"    
PRD_000324 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000325
# 
_pdbx_reference_molecule.prd_id                       PRD_000325 
_pdbx_reference_molecule.name                         MePip-Phe-HphVSPh 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H40 N4 O4 S" 
_pdbx_reference_molecule.formula_weight               576.749 
_pdbx_reference_molecule.chem_comp_id                 0IW 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1fh0 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000325 
_pdbx_reference_entity_subcomponents.seq            "ODS PHE NFP" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0IW 
# 
_pdbx_reference_entity_list.prd_id          PRD_000325 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000325 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000325 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000325 1 1 ODS .   N Y 
PRD_000325 1 2 PHE PHE N Y 
PRD_000325 1 3 NFP .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000325 1 1 1 C ODS 1 N PHE 2 SING ? ? ? 
PRD_000325 1 1 2 C PHE 2 N NFP 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000325 2012-02-08 RCSB "Create molecule"    
PRD_000325 2012-05-01 RCSB "Other modification" 
PRD_000325 2012-07-09 PDBE "Other modification" 
PRD_000325 2012-12-12 RCSB "Initial release"    
PRD_000325 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000326
# 
_pdbx_reference_molecule.prd_id                       PRD_000326 
_pdbx_reference_molecule.name                         
;cyclo(L-alpha-aspartyl-L-tryptophyl-L-alpha-glutamyl-L-phenylalanyl-D-prolyl-L-prolyl-L-phenylalanyl-L-alpha-glutamyl-6
-chloro-L-tryptophyl-L-leucyl)
;
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C70 H81 Cl N12 O16" 
_pdbx_reference_molecule.formula_weight               1381.916 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2axi 
# 
_pdbx_reference_entity_list.prd_id          PRD_000326 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "CYCLIC 8-MER PEPTIDE" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000326 1 1  N PRO 1 C DPR 10 sing 1 ? ? ? 
PRD_000326 1 2  C PRO 1 N PHE 2  sing 1 ? ? ? 
PRD_000326 1 3  C PHE 2 N GLU 3  sing 1 ? ? ? 
PRD_000326 1 4  C GLU 3 N 6CW 4  sing 1 ? ? ? 
PRD_000326 1 5  C 6CW 4 N LEU 5  sing 1 ? ? ? 
PRD_000326 1 6  C LEU 5 N ASP 6  sing 1 ? ? ? 
PRD_000326 1 7  C ASP 6 N TRP 7  sing 1 ? ? ? 
PRD_000326 1 8  C TRP 7 N GLU 8  sing 1 ? ? ? 
PRD_000326 1 9  C GLU 8 N PHE 9  sing 1 ? ? ? 
PRD_000326 1 10 C PHE 9 N DPR 10 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000326 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000326 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000326 1 1  PRO PRO N Y 
PRD_000326 1 2  PHE PHE N Y 
PRD_000326 1 3  GLU GLU N Y 
PRD_000326 1 4  6CW TRP N Y 
PRD_000326 1 5  LEU LEU N Y 
PRD_000326 1 6  ASP ASP N Y 
PRD_000326 1 7  TRP TRP N Y 
PRD_000326 1 8  GLU GLU N Y 
PRD_000326 1 9  PHE PHE N Y 
PRD_000326 1 10 DPR PRO N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000326 2012-02-01 RCSB "Create molecule"    
PRD_000326 2012-07-09 PDBE "Other modification" 
PRD_000326 2012-12-12 RCSB "Initial release"    
PRD_000326 2013-06-03 RCSB "Other modification" 
PRD_000326 2020-07-29 RCSB "Other modification" 
PRD_000326 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000328
# 
_pdbx_reference_molecule.prd_id                       PRD_000328 
_pdbx_reference_molecule.name                         "Cbz-Ala-Ala-Leu(P)-(O)-Phe-OMe" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H40 N3 O9 P" 
_pdbx_reference_molecule.formula_weight               605.616 
_pdbx_reference_molecule.chem_comp_id                 0P1 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1ppm 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000328 
_pdbx_reference_entity_subcomponents.seq            "PHQ ALA ALA ZPH" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0P1 
# 
_pdbx_reference_entity_list.prd_id          PRD_000328 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000328 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000328 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000328 1 1 PHQ .   N Y 
PRD_000328 1 2 ALA ALA N Y 
PRD_000328 1 3 ALA ALA N Y 
PRD_000328 1 4 ZPH .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000328 1 1 1 C1 PHQ 1 N ALA 2 SING ? ? ? 
PRD_000328 1 1 2 C  ALA 2 N ALA 3 SING ? ? ? 
PRD_000328 1 1 3 C  ALA 3 N ZPH 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000328 2012-02-08 RCSB "Create molecule"    
PRD_000328 2012-05-01 RCSB "Other modification" 
PRD_000328 2012-07-09 PDBE "Other modification" 
PRD_000328 2012-12-12 RCSB "Initial release"    
PRD_000328 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000329
# 
_pdbx_reference_molecule.prd_id                       PRD_000329 
_pdbx_reference_molecule.name                         "N~2~-[(benzyloxy)carbonyl]-N-[(1R,2S)-1-(dihydroxyboranyl)-2-methylbutyl]-L-alaninamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C16 H25 B N2 O5" 
_pdbx_reference_molecule.formula_weight               336.191 
_pdbx_reference_molecule.chem_comp_id                 0P2 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5est 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000329 
_pdbx_reference_entity_subcomponents.seq            "PHQ ALA B2I" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0P2 
# 
_pdbx_reference_entity_list.prd_id          PRD_000329 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000329 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000329 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000329 1 1 PHQ .   N Y 
PRD_000329 1 2 ALA ALA N Y 
PRD_000329 1 3 B2I ILE N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000329 1 1 1 C1 PHQ 1 N ALA 2 SING ? ? ? 
PRD_000329 1 1 2 C  ALA 2 N B2I 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000329 2012-02-08 RCSB "Create molecule"    
PRD_000329 2012-05-01 RCSB "Other modification" 
PRD_000329 2012-07-09 PDBE "Other modification" 
PRD_000329 2012-12-12 RCSB "Initial release"    
PRD_000329 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000330
# 
_pdbx_reference_molecule.prd_id                       PRD_000330 
_pdbx_reference_molecule.name                         
;(5S,8R,11S)-8-(2-carboxyethyl)-5-(carboxymethyl)-14-(4-ethoxy-4-oxobutanoyl)-11-(1-methylethyl)-3,6,9,12-tetraoxo-1-phe
nyl-2-oxa-4,7,10,13,14-pentaazahexadecan-16-oic acid
;
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H41 N5 O14" 
_pdbx_reference_molecule.formula_weight               695.672 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2c2k 
# 
_pdbx_reference_entity_list.prd_id          PRD_000330 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "AZA-PEPTIDE MICHAEL ACCEPTOR INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000330 1 1 C1 PHQ 1 N ASP 2 sing 1 ? ? ? 
PRD_000330 1 2 C  ASP 2 N GLU 3 sing 1 ? ? ? 
PRD_000330 1 3 C  GLU 3 N VAL 4 sing 1 ? ? ? 
PRD_000330 1 4 C  VAL 4 N AA1 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000330 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000330 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000330 1 1 PHQ ?   N Y 
PRD_000330 1 2 ASP ASP N Y 
PRD_000330 1 3 GLU GLU N Y 
PRD_000330 1 4 VAL VAL N Y 
PRD_000330 1 5 AA1 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000330 2012-02-01 RCSB "Create molecule"    
PRD_000330 2012-07-09 PDBE "Other modification" 
PRD_000330 2012-12-12 RCSB "Initial release"    
PRD_000330 2013-06-03 RCSB "Other modification" 
PRD_000330 2020-07-29 RCSB "Other modification" 
PRD_000330 2023-09-20 PDBE "Modify audit"       
PRD_000330 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000331
# 
_pdbx_reference_molecule.prd_id                       PRD_000331 
_pdbx_reference_molecule.name                         "N-[(benzyloxy)carbonyl]-L-alpha-aspartyl-L-alpha-glutamyl-L-valyl-L-aspartic acid" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H34 N4 O12" 
_pdbx_reference_molecule.formula_weight               594.568 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1f9e 
# 
_pdbx_reference_entity_list.prd_id          PRD_000331 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "INHIBITOR (PHQ)DEVD" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000331 1 1 C1 PHQ 1 N ASP 2 sing 1 ? ? ? 
PRD_000331 1 2 C  ASP 2 N GLU 3 sing 1 ? ? ? 
PRD_000331 1 3 C  GLU 3 N VAL 4 sing 1 ? ? ? 
PRD_000331 1 4 C  VAL 4 N ASA 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000331 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000331 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000331 1 1 PHQ ?   N Y 
PRD_000331 1 2 ASP ASP N Y 
PRD_000331 1 3 GLU GLU N Y 
PRD_000331 1 4 VAL VAL N Y 
PRD_000331 1 5 ASA ASP N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000331 2012-02-01 RCSB "Create molecule"    
PRD_000331 2012-07-09 PDBE "Other modification" 
PRD_000331 2012-12-12 RCSB "Initial release"    
PRD_000331 2013-06-03 RCSB "Other modification" 
PRD_000331 2020-07-29 RCSB "Other modification" 
PRD_000331 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000332
# 
_pdbx_reference_molecule.prd_id                       PRD_000332 
_pdbx_reference_molecule.name                         "Cbz-Asp-Glu-Val-AAsp-CHCH-CON(CH3)CH2Ph" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H46 N6 O13" 
_pdbx_reference_molecule.formula_weight               770.783 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2c2o 
# 
_pdbx_reference_entity_list.prd_id          PRD_000332 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "AZA-PEPTIDE MICHAEL ACCEPTOR INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000332 1 1 C1 PHQ 1 N ASP 2 sing 1 ? ? ? 
PRD_000332 1 2 C  ASP 2 N GLU 3 sing 1 ? ? ? 
PRD_000332 1 3 C  GLU 3 N VAL 4 sing 1 ? ? ? 
PRD_000332 1 4 C  VAL 4 N MX3 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000332 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000332 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000332 1 1 PHQ ?   N Y 
PRD_000332 1 2 ASP ASP N Y 
PRD_000332 1 3 GLU GLU N Y 
PRD_000332 1 4 VAL VAL N Y 
PRD_000332 1 5 MX3 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000332 2012-02-08 RCSB "Create molecule"    
PRD_000332 2012-07-09 PDBE "Other modification" 
PRD_000332 2012-12-12 RCSB "Initial release"    
PRD_000332 2013-06-03 RCSB "Other modification" 
PRD_000332 2020-07-29 RCSB "Other modification" 
PRD_000332 2023-09-20 PDBE "Modify audit"       
PRD_000332 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000333
# 
_pdbx_reference_molecule.prd_id                       PRD_000333 
_pdbx_reference_molecule.name                         BENZYLOXYCARBONYL-PHENYLALANYL-METHYLENYLALANYL 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H23 Cl N2 O4" 
_pdbx_reference_molecule.formula_weight               402.871 
_pdbx_reference_molecule.chem_comp_id                 0PC 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6pad 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000333 
_pdbx_reference_entity_subcomponents.seq            "PHQ PHE ALA 0QE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0PC 
# 
_pdbx_reference_entity_list.prd_id          PRD_000333 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000333 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000333 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000333 1 1 PHQ .   N Y 
PRD_000333 1 2 PHE PHE N Y 
PRD_000333 1 3 ALA ALA N Y 
PRD_000333 1 4 0QE .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000333 1 1 1 C1 PHQ 1 N  PHE 2 SING ? ? ? 
PRD_000333 1 1 2 C  PHE 2 N  ALA 3 SING ? ? ? 
PRD_000333 1 1 3 C  ALA 3 C1 0QE 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000333 2012-02-08 RCSB "Create molecule"    
PRD_000333 2012-05-01 RCSB "Other modification" 
PRD_000333 2012-07-09 PDBE "Other modification" 
PRD_000333 2012-12-12 RCSB "Initial release"    
PRD_000333 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000334
# 
_pdbx_reference_molecule.prd_id                       PRD_000334 
_pdbx_reference_molecule.name                         "BENZYLOXYCARBONYL-GLYCYL-PHENYLALANYL-METHYLENYLGLYCYL DERIVATIVE" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H24 Cl N3 O5" 
_pdbx_reference_molecule.formula_weight               445.896 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5pad 
# 
_pdbx_reference_entity_list.prd_id          PRD_000334 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PHQ-GLY-PHE-GLY-CHLOROMETHYLKETONE INHIBITOR, ZGPGCK" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000334 1 1 C1 PHQ 1 N  GLY 2 sing 1 ? ? ? 
PRD_000334 1 2 C  GLY 2 N  PHE 3 sing 1 ? ? ? 
PRD_000334 1 3 C  PHE 3 N  GLY 4 sing 1 ? ? ? 
PRD_000334 1 4 C  GLY 4 C1 0QE 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000334 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000334 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000334 1 1 PHQ ?   N Y 
PRD_000334 1 2 GLY GLY N Y 
PRD_000334 1 3 PHE PHE N Y 
PRD_000334 1 4 GLY GLY N Y 
PRD_000334 1 5 0QE ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000334 2012-04-30 RCSB "Create molecule"    
PRD_000334 2012-07-09 PDBE "Other modification" 
PRD_000334 2012-12-12 RCSB "Initial release"    
PRD_000334 2013-06-03 RCSB "Other modification" 
PRD_000334 2020-07-29 RCSB "Other modification" 
PRD_000334 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000335
# 
_pdbx_reference_molecule.prd_id                       PRD_000335 
_pdbx_reference_molecule.name                         DEHYDRO-ILE-ALA-ARG-SER 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H42 N7 O8" 
_pdbx_reference_molecule.formula_weight               580.654 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1sqz 
# 
_pdbx_reference_entity_list.prd_id          PRD_000335 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE DEHYDRO-ILE-ALA-ARG-SER" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000335 1 1 C1 PHQ 1 N ILE 2 sing 1 ? ? ? 
PRD_000335 1 2 C  ILE 2 N ALA 3 sing 1 ? ? ? 
PRD_000335 1 3 C  ALA 3 N ARG 4 sing 1 ? ? ? 
PRD_000335 1 4 C  ARG 4 N SER 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000335 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000335 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000335 1 1 PHQ ?   N Y 
PRD_000335 1 2 ILE ILE N Y 
PRD_000335 1 3 ALA ALA N Y 
PRD_000335 1 4 ARG ARG N Y 
PRD_000335 1 5 SER SER N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000335 2012-02-01 RCSB "Create molecule"    
PRD_000335 2012-07-09 PDBE "Other modification" 
PRD_000335 2012-12-12 RCSB "Initial release"    
PRD_000335 2013-06-03 RCSB "Other modification" 
PRD_000335 2020-07-29 RCSB "Other modification" 
PRD_000335 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000336
# 
_pdbx_reference_molecule.prd_id                       PRD_000336 
_pdbx_reference_molecule.name                         Cbz-Leu-Glu-Thr-AAsp-CHCH-CON-tetrahydroquinoline 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C38 H50 N6 O12" 
_pdbx_reference_molecule.formula_weight               782.837 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2c2z 
# 
_pdbx_reference_entity_list.prd_id          PRD_000336 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "AZA-PEPTIDE MICHAEL ACCEPTOR INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000336 1 1 C1 PHQ 1 N   LEU 2 sing 1 ? ? ? 
PRD_000336 1 2 C  LEU 2 N   GLU 3 sing 1 ? ? ? 
PRD_000336 1 3 C  GLU 3 N   THR 4 sing 1 ? ? ? 
PRD_000336 1 4 C  THR 4 N20 MX5 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000336 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000336 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000336 1 1 PHQ ?   N Y 
PRD_000336 1 2 LEU LEU N Y 
PRD_000336 1 3 GLU GLU N Y 
PRD_000336 1 4 THR THR N Y 
PRD_000336 1 5 MX5 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000336 2012-02-01 RCSB "Create molecule"    
PRD_000336 2012-07-09 PDBE "Other modification" 
PRD_000336 2012-12-12 RCSB "Initial release"    
PRD_000336 2013-06-03 RCSB "Other modification" 
PRD_000336 2020-07-29 RCSB "Other modification" 
PRD_000336 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000337
# 
_pdbx_reference_molecule.prd_id                       PRD_000337 
_pdbx_reference_molecule.name                         BENZYLOXYCARBONYL-LEUCINE-VALINE-GLYCINE-METHYLENE 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H31 N5 O5" 
_pdbx_reference_molecule.formula_weight               445.512 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1gec 
# 
_pdbx_reference_entity_list.prd_id          PRD_000337 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "BENZYLOXYCARBONYL-LEUCINE-VALINE-GLYCINE-METHYLENE INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000337 1 1 C1 PHQ 1 N  LEU 2 sing 1 ? ? ? 
PRD_000337 1 2 C  LEU 2 N  VAL 3 sing 1 ? ? ? 
PRD_000337 1 3 C  VAL 3 N  GLY 4 sing 1 ? ? ? 
PRD_000337 1 4 C  GLY 4 C1 0HQ 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000337 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000337 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000337 1 1 PHQ ?   N Y 
PRD_000337 1 2 LEU LEU N Y 
PRD_000337 1 3 VAL VAL N Y 
PRD_000337 1 4 GLY GLY N Y 
PRD_000337 1 5 0HQ ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000337 2012-02-01 RCSB "Create molecule"    
PRD_000337 2012-07-09 PDBE "Other modification" 
PRD_000337 2012-12-12 RCSB "Initial release"    
PRD_000337 2013-06-03 RCSB "Other modification" 
PRD_000337 2020-07-29 RCSB "Other modification" 
PRD_000337 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000338
# 
_pdbx_reference_molecule.prd_id                       PRD_000338 
_pdbx_reference_molecule.name                         "N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H28 F N3 O7" 
_pdbx_reference_molecule.formula_weight               453.461 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1x3z 
# 
_pdbx_reference_entity_list.prd_id          PRD_000338 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE PHQ-VAL-ALA-ASP-CF0" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000338 1 1 C1 PHQ 1 N  VAL 2 sing 1 ? ? ? 
PRD_000338 1 2 C  VAL 2 N  ALA 3 sing 1 ? ? ? 
PRD_000338 1 3 C  ALA 3 N  ASP 4 sing 1 ? ? ? 
PRD_000338 1 4 C  ASP 4 C1 CF0 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000338 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000338 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000338 1 1 PHQ ?   N N 
PRD_000338 1 2 VAL VAL N Y 
PRD_000338 1 3 ALA ALA N Y 
PRD_000338 1 4 ASP ASP N Y 
PRD_000338 1 5 CF0 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000338 2012-04-30 RCSB "Create molecule"    
PRD_000338 2012-07-09 PDBE "Other modification" 
PRD_000338 2012-12-12 RCSB "Initial release"    
PRD_000338 2013-06-03 RCSB "Other modification" 
PRD_000338 2020-07-29 RCSB "Other modification" 
PRD_000338 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000339
# 
_pdbx_reference_molecule.prd_id                       PRD_000339 
_pdbx_reference_molecule.name                         CARBOBENZOXY-DEHYDRO-VAL-ALA-ARG-SER 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H40 N7 O8" 
_pdbx_reference_molecule.formula_weight               566.627 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3g8f 
# 
_pdbx_reference_entity_list.prd_id          PRD_000339 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE INHIBITOR CARBOBENZOXY-DEHYDRO-VAL-ALA-ARG-SER" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000339 1 1 C1 PHQ 1 N VAL 2 sing 1 ? ? ? 
PRD_000339 1 2 C  VAL 2 N ALA 3 sing 1 ? ? ? 
PRD_000339 1 3 C  ALA 3 N ARG 4 sing 1 ? ? ? 
PRD_000339 1 4 C  ARG 4 N SER 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000339 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000339 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000339 1 1 PHQ ?   N Y 
PRD_000339 1 2 VAL VAL N Y 
PRD_000339 1 3 ALA ALA N Y 
PRD_000339 1 4 ARG ARG N Y 
PRD_000339 1 5 SER SER N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000339 2012-02-01 RCSB "Create molecule"    
PRD_000339 2012-07-09 PDBE "Other modification" 
PRD_000339 2012-12-12 RCSB "Initial release"    
PRD_000339 2013-06-03 RCSB "Other modification" 
PRD_000339 2020-07-29 RCSB "Other modification" 
PRD_000339 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000340
# 
_pdbx_reference_molecule.prd_id                       PRD_000340 
_pdbx_reference_molecule.name                         
;N-[(1R)-1-{[(1S,2S)-1-benzyl-3-{(2R,4S)-2-(tert-butylcarbamoyl)-4-[(pyridin-3-ylmethyl)sulfanyl]piperidin-1-yl}-
2-hydroxypropyl]carbamoyl}-2-methylpropyl]quinoline-2-carboxamide
;
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C41 H52 N6 O4 S" 
_pdbx_reference_molecule.formula_weight               724.954 
_pdbx_reference_molecule.chem_comp_id                 0PO 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1ida 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000340 
_pdbx_reference_entity_subcomponents.seq            "QNC VAL P0Y NTB" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0PO 
# 
_pdbx_reference_entity_list.prd_id          PRD_000340 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000340 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000340 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000340 1 1 QNC .   N Y 
PRD_000340 1 2 VAL VAL N Y 
PRD_000340 1 3 P0Y .   N Y 
PRD_000340 1 4 NTB .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000340 1 1 1 C P0Y 3 N NTB 4 SING ? ? ? 
PRD_000340 1 1 2 C QNC 1 N VAL 2 SING ? ? ? 
PRD_000340 1 1 3 C VAL 2 N P0Y 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000340 2012-02-08 RCSB "Create molecule"    
PRD_000340 2012-05-01 RCSB "Other modification" 
PRD_000340 2012-07-09 PDBE "Other modification" 
PRD_000340 2012-12-12 RCSB "Initial release"    
PRD_000340 2017-05-04 RCSB "Other modification" 
PRD_000340 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000341
# 
_pdbx_reference_molecule.prd_id                       PRD_000341 
_pdbx_reference_molecule.name                         
;(2S)-2-tert-butyl-N~4~-(1-ethylpropyl)-N~1~-[(2R,3S)-2-hydroxy-4-phenyl-3-{[N-(quinolin-2-ylcarbonyl)-L-threonyl]
amino}butyl]butanediamide
;
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C37 H51 N5 O6" 
_pdbx_reference_molecule.formula_weight               661.831 
_pdbx_reference_molecule.chem_comp_id                 0PP 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1jld 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000341 
_pdbx_reference_entity_subcomponents.seq            "QNC THR PKC R35 D0M" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0PP 
# 
_pdbx_reference_entity_list.prd_id          PRD_000341 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000341 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000341 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000341 1 1 QNC .   N Y 
PRD_000341 1 2 THR THR N Y 
PRD_000341 1 3 PKC .   N Y 
PRD_000341 1 4 R35 .   N Y 
PRD_000341 1 5 D0M .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000341 1 1 1 N2 PKC 3 C1 R35 4 SING ? ? ? 
PRD_000341 1 1 2 C8 R35 4 N1 D0M 5 SING ? ? ? 
PRD_000341 1 1 3 C  QNC 1 N  THR 2 SING ? ? ? 
PRD_000341 1 1 4 C  THR 2 N1 PKC 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000341 2012-02-08 RCSB "Create molecule"    
PRD_000341 2012-05-01 RCSB "Other modification" 
PRD_000341 2012-07-09 PDBE "Other modification" 
PRD_000341 2012-12-12 RCSB "Initial release"    
PRD_000341 2017-05-04 RCSB "Other modification" 
PRD_000341 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000344
# 
_pdbx_reference_molecule.prd_id                       PRD_000344 
_pdbx_reference_molecule.name                         "NORSTATINE-S-METHYL CYSTEINE-IODO-PHENYLALANINE-PROLINE" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H47 I N4 O6 S" 
_pdbx_reference_molecule.formula_weight               730.698 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1czi 
# 
_pdbx_reference_entity_list.prd_id          PRD_000344 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "INHIBITOR CP-113972" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000344 1 1 N PHI 2 C PRO 1 sing 1 ? ? ? 
PRD_000344 1 2 N SMC 3 C PHI 2 sing 1 ? ? ? 
PRD_000344 1 3 N NOR 4 C SMC 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000344 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000344 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000344 1 1 PRO PRO N Y 
PRD_000344 1 2 PHI PHE N Y 
PRD_000344 1 3 SMC CYS N Y 
PRD_000344 1 4 NOR ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000344 2012-02-01 RCSB "Create molecule"    
PRD_000344 2012-07-09 PDBE "Other modification" 
PRD_000344 2012-12-12 RCSB "Initial release"    
PRD_000344 2013-06-03 RCSB "Other modification" 
PRD_000344 2020-07-29 RCSB "Other modification" 
PRD_000344 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000345
# 
_pdbx_reference_molecule.prd_id                       PRD_000345 
_pdbx_reference_molecule.name                         "Ac-pTyr-Glu-Glu-Ile, pYEEI" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H39 N4 O14 P" 
_pdbx_reference_molecule.formula_weight               686.601 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1is0 
# 
_pdbx_reference_entity_list.prd_id          PRD_000345 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "CONFORMATIONALLY CONSTRAINED PEPTIDE INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000345 1 1 C AY0 1 N GLU 2 sing 1 ? ? ? 
PRD_000345 1 2 C GLU 2 N GLU 3 sing 1 ? ? ? 
PRD_000345 1 3 C GLU 3 N ILE 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000345 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000345 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000345 1 1 AY0 ?   N Y 
PRD_000345 1 2 GLU GLU N Y 
PRD_000345 1 3 GLU GLU N Y 
PRD_000345 1 4 ILE ILE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000345 2012-02-03 RCSB "Create molecule"    
PRD_000345 2012-07-09 PDBE "Other modification" 
PRD_000345 2012-12-12 RCSB "Initial release"    
PRD_000345 2013-06-03 RCSB "Other modification" 
PRD_000345 2020-07-29 RCSB "Other modification" 
PRD_000345 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000346
# 
_pdbx_reference_molecule.prd_id                       PRD_000346 
_pdbx_reference_molecule.name                         
;N-{(2R)-3-phenyl-2-[(L-prolyl-L-threonyl-L-alpha-glutamyl)amino]propyl}-L-phenylalanyl-N~5~-[amino(iminio)methyl]-
L-ornithyl-L-glutamic acid
;
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C43 H63 N10 O12" 
_pdbx_reference_molecule.formula_weight               912.020 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2er6 
# 
_pdbx_reference_entity_list.prd_id          PRD_000346 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "SYNTHETIC PEPSIN INHIBITOR, H-256 PEPTIDE" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000346 1 1 C PRO 1 N THR 2 sing 1 ? ? ? 
PRD_000346 1 2 C THR 2 N GLU 3 sing 1 ? ? ? 
PRD_000346 1 3 C GLU 3 N PUK 4 sing 1 ? ? ? 
PRD_000346 1 4 C PUK 4 N ARG 5 sing 1 ? ? ? 
PRD_000346 1 5 C ARG 5 N GLU 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000346 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000346 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000346 1 1 PRO PRO N Y 
PRD_000346 1 2 THR THR N Y 
PRD_000346 1 3 GLU GLU N Y 
PRD_000346 1 4 PUK PHE N Y 
PRD_000346 1 5 ARG ARG N Y 
PRD_000346 1 6 GLU GLU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000346 2012-02-08 RCSB "Create molecule"    
PRD_000346 2012-07-09 PDBE "Other modification" 
PRD_000346 2012-12-12 RCSB "Initial release"    
PRD_000346 2013-06-03 RCSB "Other modification" 
PRD_000346 2017-05-04 RCSB "Other modification" 
PRD_000346 2020-07-29 RCSB "Other modification" 
PRD_000346 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000347
# 
_pdbx_reference_molecule.prd_id                       PRD_000347 
_pdbx_reference_molecule.name                         "1-acetyl-L-prolyl-L-valyl-L-tyrosyl-3-methyl-L-valyl-N~1~-[(1R)-1-phosphonoethyl]-L-glutamamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C33 H52 N7 O11 P" 
_pdbx_reference_molecule.formula_weight               753.780 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2pbk 
# 
_pdbx_reference_entity_list.prd_id          PRD_000347 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "HEXAPEPTIDE PHOSPHONATE INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000347 1 1 C ACE 1 N PRO 2 sing 1 ? ? ? 
PRD_000347 1 2 C PRO 2 N VAL 3 sing 1 ? ? ? 
PRD_000347 1 3 C VAL 3 N TYR 4 sing 1 ? ? ? 
PRD_000347 1 4 C TYR 4 N TBG 5 sing 1 ? ? ? 
PRD_000347 1 5 C TBG 5 N GLN 6 sing 1 ? ? ? 
PRD_000347 1 6 C GLN 6 N GG7 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000347 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000347 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000347 1 1 ACE ?   N Y 
PRD_000347 1 2 PRO PRO N Y 
PRD_000347 1 3 VAL VAL N Y 
PRD_000347 1 4 TYR TYR N Y 
PRD_000347 1 5 TBG VAL N Y 
PRD_000347 1 6 GLN GLN N Y 
PRD_000347 1 7 GG7 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000347 2012-02-03 RCSB "Create molecule"    
PRD_000347 2012-07-09 PDBE "Other modification" 
PRD_000347 2012-12-12 RCSB "Initial release"    
PRD_000347 2013-06-03 RCSB "Other modification" 
PRD_000347 2020-07-29 RCSB "Other modification" 
PRD_000347 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000348
# 
_pdbx_reference_molecule.prd_id                       PRD_000348 
_pdbx_reference_molecule.name                         
;N~1~-{(1S,2S,4S)-1-(cyclohexylmethyl)-4-[(2,2-dimethylpropyl)carbamoyl]-2-hydroxy-5-methylhexyl}-N~2~-(quinolin-2-
ylcarbonyl)-L-aspartamide
;
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C34 H51 N5 O5" 
_pdbx_reference_molecule.formula_weight               609.799 
_pdbx_reference_molecule.chem_comp_id                 0PX 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1ivq 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000348 
_pdbx_reference_entity_subcomponents.seq            "QNC ASN CPV NPT" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0PX 
# 
_pdbx_reference_entity_list.prd_id          PRD_000348 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000348 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000348 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000348 1 1 QNC .   N Y 
PRD_000348 1 2 ASN ASN N Y 
PRD_000348 1 3 CPV .   N Y 
PRD_000348 1 4 NPT .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000348 1 1 1 C QNC 1 N ASN 2 SING ? ? ? 
PRD_000348 1 1 2 C ASN 2 N CPV 3 SING ? ? ? 
PRD_000348 1 1 3 C CPV 3 N NPT 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000348 2012-02-08 RCSB "Create molecule"    
PRD_000348 2012-05-01 RCSB "Other modification" 
PRD_000348 2012-07-09 PDBE "Other modification" 
PRD_000348 2012-12-12 RCSB "Initial release"    
PRD_000348 2017-05-04 RCSB "Other modification" 
PRD_000348 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000349
# 
_pdbx_reference_molecule.prd_id                       PRD_000349 
_pdbx_reference_molecule.name                         
;N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-
L-alanyl-L-norleucinamide
;
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C40 H70 N11 O8" 
_pdbx_reference_molecule.formula_weight               833.053 
_pdbx_reference_molecule.chem_comp_id                 0Q4 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1k1t 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000349 
_pdbx_reference_entity_subcomponents.seq            "ARG VAL DC0 GLU ALA NLE NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0Q4 
# 
_pdbx_reference_entity_list.prd_id          PRD_000349 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000349 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000349 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000349 1 1 ARG ARG N Y 
PRD_000349 1 2 VAL VAL N Y 
PRD_000349 1 3 DC0 .   N Y 
PRD_000349 1 4 GLU GLU N Y 
PRD_000349 1 5 ALA ALA N Y 
PRD_000349 1 6 NLE LEU N Y 
PRD_000349 1 7 NH2 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000349 1 1 1 C ARG 1 N VAL 2 SING ? ? ? 
PRD_000349 1 1 2 C VAL 2 N DC0 3 SING ? ? ? 
PRD_000349 1 1 3 C DC0 3 N GLU 4 SING ? ? ? 
PRD_000349 1 1 4 C GLU 4 N ALA 5 SING ? ? ? 
PRD_000349 1 1 5 C ALA 5 N NLE 6 SING ? ? ? 
PRD_000349 1 1 6 C NLE 6 N NH2 7 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000349 2012-02-08 RCSB "Create molecule"    
PRD_000349 2012-05-01 RCSB "Other modification" 
PRD_000349 2012-07-09 PDBE "Other modification" 
PRD_000349 2012-12-12 RCSB "Initial release"    
PRD_000349 2013-02-27 RCSB "Modify sequence"    
PRD_000349 2017-05-04 RCSB "Other modification" 
PRD_000349 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000350
# 
_pdbx_reference_molecule.prd_id                       PRD_000350 
_pdbx_reference_molecule.name                         SUCCINYL-ALA-ALA-PRO-LYS 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H36 N5 O8" 
_pdbx_reference_molecule.formula_weight               486.539 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2agg 
# 
_pdbx_reference_entity_list.prd_id          PRD_000350 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         suc-AAPK-pNa 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000350 1 1 C4 SIN 1 N ALA 2 sing 1 ? ? ? 
PRD_000350 1 2 C  ALA 2 N ALA 3 sing 1 ? ? ? 
PRD_000350 1 3 C  ALA 3 N PRO 4 sing 1 ? ? ? 
PRD_000350 1 4 C  PRO 4 N LYS 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000350 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000350 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000350 1 1 SIN ?   N Y 
PRD_000350 1 2 ALA ALA N Y 
PRD_000350 1 3 ALA ALA N Y 
PRD_000350 1 4 PRO PRO N Y 
PRD_000350 1 5 LYS LYS N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000350 2012-02-01 RCSB "Create molecule"    
PRD_000350 2012-07-09 PDBE "Other modification" 
PRD_000350 2012-12-12 RCSB "Initial release"    
PRD_000350 2013-06-03 RCSB "Other modification" 
PRD_000350 2020-07-29 RCSB "Other modification" 
PRD_000350 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000351
# 
_pdbx_reference_molecule.prd_id                       PRD_000351 
_pdbx_reference_molecule.name                         SUCCINYL-ALA-ALA-PRO-ARG 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H36 N7 O8" 
_pdbx_reference_molecule.formula_weight               514.553 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2age 
# 
_pdbx_reference_entity_list.prd_id          PRD_000351 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         suc-AAPR-pNa 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000351 1 1 C4 SIN 1 N ALA 2 sing 1 ? ? ? 
PRD_000351 1 2 C  ALA 2 N ALA 3 sing 1 ? ? ? 
PRD_000351 1 3 C  ALA 3 N PRO 4 sing 1 ? ? ? 
PRD_000351 1 4 C  PRO 4 N ARG 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000351 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000351 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000351 1 1 SIN ?   N Y 
PRD_000351 1 2 ALA ALA N Y 
PRD_000351 1 3 ALA ALA N Y 
PRD_000351 1 4 PRO PRO N Y 
PRD_000351 1 5 ARG ARG N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000351 2012-02-01 RCSB "Create molecule"    
PRD_000351 2012-07-09 PDBE "Other modification" 
PRD_000351 2012-12-12 RCSB "Initial release"    
PRD_000351 2013-06-03 RCSB "Other modification" 
PRD_000351 2020-07-29 RCSB "Other modification" 
PRD_000351 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000352
# 
_pdbx_reference_molecule.prd_id                       PRD_000352 
_pdbx_reference_molecule.name                         "N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-L-prolyl-6-ammonio-N-(4-nitrophenyl)-L-norleucinamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H40 N7 O9" 
_pdbx_reference_molecule.formula_weight               606.648 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2ixp 
# 
_pdbx_reference_entity_list.prd_id          PRD_000352 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         suc-AAPK-pNa 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000352 1 1 C4 SIN 1 N  ALA 2 sing 1 ? ? ? 
PRD_000352 1 2 C  ALA 2 N  ALA 3 sing 1 ? ? ? 
PRD_000352 1 3 C  ALA 3 N  PRO 4 sing 1 ? ? ? 
PRD_000352 1 4 C  PRO 4 N  LYS 5 sing 1 ? ? ? 
PRD_000352 1 5 C  LYS 5 N1 NIT 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000352 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000352 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000352 1 1 SIN ?   N Y 
PRD_000352 1 2 ALA ALA N Y 
PRD_000352 1 3 ALA ALA N Y 
PRD_000352 1 4 PRO PRO N Y 
PRD_000352 1 5 LYS LYS N Y 
PRD_000352 1 6 NIT ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000352 2012-02-01 RCSB "Create molecule"    
PRD_000352 2012-07-09 PDBE "Other modification" 
PRD_000352 2012-12-12 RCSB "Initial release"    
PRD_000352 2013-06-03 RCSB "Other modification" 
PRD_000352 2020-07-29 RCSB "Other modification" 
PRD_000352 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000353
# 
_pdbx_reference_molecule.prd_id                       PRD_000353 
_pdbx_reference_molecule.name                         "P2-P3 butanediamide renin inhibitor (3)" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H54 N6 O5 S" 
_pdbx_reference_molecule.formula_weight               682.916 
_pdbx_reference_molecule.chem_comp_id                 0QB 
_pdbx_reference_molecule.release_status               OBS 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1bim 
# 
_pdbx_reference_entity_list.prd_id          PRD_000353 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            non-polymer 
_pdbx_reference_entity_list.details         "P2-P3 BUTANEDIAMIDE RENIN INHIBITOR" 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000353 
_pdbx_reference_entity_nonpoly.ref_entity_id   1 
_pdbx_reference_entity_nonpoly.name            "(2S)-2-[(2-AMINO-1,3-THIAZOL-4-YL)METHYL]-N~1~-{(1S,2S)-1-(CYCLOHEXYLMETHYL)-2-HYDROXY-2-[(3R)-1,5,5-TRIMETHYL-2- OXOPYRROLIDIN-3-YL]ETHYL}-N~4~-[2-(DIMETHYLAMINO)-2-OXOETHYL]-N~4~-[(1S)-1-PHENYLETHYL]BUTANEDIAMIDE" 
_pdbx_reference_entity_nonpoly.chem_comp_id    0QB 
_pdbx_reference_entity_nonpoly.details         ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000353 2012-02-01 RCSB "Create molecule"    
PRD_000353 2012-07-09 PDBE "Other modification" 
PRD_000353 2012-12-12 RCSB "Initial release"    
PRD_000353 2022-03-02 RCSB "Obsolete molecule"  
# 
data_PRD_000354
# 
_pdbx_reference_molecule.prd_id                       PRD_000354 
_pdbx_reference_molecule.name                         SUCCINYL-GLN-VAL-VAL-ALA-ALA-P-NITROANILIDE 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H46 N8 O11" 
_pdbx_reference_molecule.formula_weight               706.744 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1pip 
# 
_pdbx_reference_entity_list.prd_id          PRD_000354 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         suc-QVVAA-pNa 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000354 1 1 C4 SIN 1 N GLN 2 sing 1 ? ? ? 
PRD_000354 1 2 C  GLN 2 N VAL 3 sing 1 ? ? ? 
PRD_000354 1 3 C  VAL 3 N VAL 4 sing 1 ? ? ? 
PRD_000354 1 4 C  VAL 4 N ALA 5 sing 1 ? ? ? 
PRD_000354 1 5 C  ALA 5 N ALA 6 sing 1 ? ? ? 
PRD_000354 1 6 N1 NIT 7 C ALA 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000354 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000354 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000354 1 1 SIN ?   N Y 
PRD_000354 1 2 GLN GLN N Y 
PRD_000354 1 3 VAL VAL N Y 
PRD_000354 1 4 VAL VAL N Y 
PRD_000354 1 5 ALA ALA N Y 
PRD_000354 1 6 ALA ALA N Y 
PRD_000354 1 7 NIT ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000354 2012-02-01 RCSB "Create molecule"    
PRD_000354 2012-07-09 PDBE "Other modification" 
PRD_000354 2012-12-12 RCSB "Initial release"    
PRD_000354 2013-06-03 RCSB "Other modification" 
PRD_000354 2020-07-29 RCSB "Other modification" 
PRD_000354 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000355
# 
_pdbx_reference_molecule.prd_id                       PRD_000355 
_pdbx_reference_molecule.name                         
;N~2~-{(2S)-2-[(N-acetyl-4-carbamimidoyl-L-phenylalanyl)amino]-2-cyclohexylacetyl}-N~6~,N~6~-dimethyl-L-lysyl-
L-leucyl-L-prolinamide
;
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C39 H63 N9 O6" 
_pdbx_reference_molecule.formula_weight               753.974 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8kme 
# 
_pdbx_reference_entity_list.prd_id          PRD_000355 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         SEL2770 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000355 1 1 C ACE 1 N 0BN 2 sing 1 ? ? ? 
PRD_000355 1 2 C 0BN 2 N CHG 3 sing 1 ? ? ? 
PRD_000355 1 3 C CHG 3 N MLY 4 sing 1 ? ? ? 
PRD_000355 1 4 C MLY 4 N LEU 5 sing 1 ? ? ? 
PRD_000355 1 5 C LEU 5 N PRO 6 sing 1 ? ? ? 
PRD_000355 1 6 C PRO 6 N NH2 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000355 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000355 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000355 1 1 ACE ?   N Y 
PRD_000355 1 2 0BN PHE N Y 
PRD_000355 1 3 CHG GLY N Y 
PRD_000355 1 4 MLY LYS N Y 
PRD_000355 1 5 LEU LEU N Y 
PRD_000355 1 6 PRO PRO N Y 
PRD_000355 1 7 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000355 2012-02-01 RCSB "Create molecule"    
PRD_000355 2012-07-09 PDBE "Other modification" 
PRD_000355 2012-12-12 RCSB "Initial release"    
PRD_000355 2013-06-03 RCSB "Other modification" 
PRD_000355 2017-05-04 RCSB "Other modification" 
PRD_000355 2020-07-29 RCSB "Other modification" 
PRD_000355 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000356
# 
_pdbx_reference_molecule.prd_id                       PRD_000356 
_pdbx_reference_molecule.name                         "N-[(1S)-2-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-Nalpha-(morpholin-4-ylsulfonyl)-L-phenylalaninamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H52 N4 O7 S2" 
_pdbx_reference_molecule.formula_weight               656.897 
_pdbx_reference_molecule.chem_comp_id                 0QF 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1epq 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000356 
_pdbx_reference_entity_subcomponents.seq            "SOT PHE GSC XAO" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0QF 
# 
_pdbx_reference_entity_list.prd_id          PRD_000356 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000356 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000356 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000356 1 1 SOT .   N Y 
PRD_000356 1 2 PHE PHE N Y 
PRD_000356 1 3 GSC GLY N Y 
PRD_000356 1 4 XAO .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000356 1 1 1 S SOT 1 N PHE 2 SING ? ? ? 
PRD_000356 1 1 2 C PHE 2 N GSC 3 SING ? ? ? 
PRD_000356 1 1 3 C GSC 3 N XAO 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000356 2012-02-08 RCSB "Create molecule"      
PRD_000356 2012-05-01 RCSB "Other modification"   
PRD_000356 2012-07-09 PDBE "Other modification"   
PRD_000356 2012-12-12 RCSB "Initial release"      
PRD_000356 2017-05-04 RCSB "Other modification"   
PRD_000356 2020-05-16 RCSB "Modify molecule name" 
PRD_000356 2023-09-20 PDBE "Modify audit"         
# 
data_PRD_000357
# 
_pdbx_reference_molecule.prd_id                       PRD_000357 
_pdbx_reference_molecule.name                         3-methyl-L-valyl-L-prolyl-L-isoleucine 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C17 H31 N3 O4" 
_pdbx_reference_molecule.formula_weight               341.446 
_pdbx_reference_molecule.chem_comp_id                 0QG 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2ajb 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000357 
_pdbx_reference_entity_subcomponents.seq            "TBG PRO ILE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0QG 
# 
_pdbx_reference_entity_list.prd_id          PRD_000357 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000357 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000357 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000357 1 1 TBG VAL N Y 
PRD_000357 1 2 PRO PRO N Y 
PRD_000357 1 3 ILE ILE N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000357 1 1 1 C TBG 1 N PRO 2 SING ? ? ? 
PRD_000357 1 1 2 C PRO 2 N ILE 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000357 2012-02-08 RCSB "Create molecule"    
PRD_000357 2012-05-01 RCSB "Other modification" 
PRD_000357 2012-07-09 PDBE "Other modification" 
PRD_000357 2012-12-12 RCSB "Initial release"    
PRD_000357 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000358
# 
_pdbx_reference_molecule.prd_id                       PRD_000358 
_pdbx_reference_molecule.name                         
;(1R)-1-benzyl-1-methyl-1-(2-{[4-(1-methylethyl)phenyl]amino}-2-oxoethyl)-2-{(2S)-4-methyl-2-[(trifluoroacetyl)
amino]pentanoyl}diazanium
;
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H36 F3 N4 O3" 
_pdbx_reference_molecule.formula_weight               521.595 
_pdbx_reference_molecule.chem_comp_id                 0QH 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1bma 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000358 
_pdbx_reference_entity_subcomponents.seq            "TFA LEU MBH ISO" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0QH 
# 
_pdbx_reference_entity_list.prd_id          PRD_000358 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000358 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000358 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000358 1 1 TFA .   N Y 
PRD_000358 1 2 LEU LEU N Y 
PRD_000358 1 3 MBH .   N Y 
PRD_000358 1 4 ISO .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000358 1 1 1 C1  TFA 1 N  LEU 2 SING ? ? ? 
PRD_000358 1 1 2 C   LEU 2 N2 MBH 3 SING ? ? ? 
PRD_000358 1 1 3 CA1 MBH 3 N1 ISO 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000358 2012-02-08 RCSB "Create molecule"    
PRD_000358 2012-05-01 RCSB "Other modification" 
PRD_000358 2012-07-09 PDBE "Other modification" 
PRD_000358 2012-12-12 RCSB "Initial release"    
PRD_000358 2017-05-04 RCSB "Other modification" 
PRD_000358 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000360
# 
_pdbx_reference_molecule.prd_id                       PRD_000360 
_pdbx_reference_molecule.name                         TRIFLUOROACETYL-L-VALYL-L-ALANYL-P-TRIFLUOROMETHYLANINIDE 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C17 H19 F6 N3 O3" 
_pdbx_reference_molecule.formula_weight               427.341 
_pdbx_reference_molecule.chem_comp_id                 0QN 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1ele 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000360 
_pdbx_reference_entity_subcomponents.seq            "TFA VAL ALA ANI" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0QN 
# 
_pdbx_reference_entity_list.prd_id          PRD_000360 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000360 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000360 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000360 1 1 TFA .   N Y 
PRD_000360 1 2 VAL VAL N Y 
PRD_000360 1 3 ALA ALA N Y 
PRD_000360 1 4 ANI .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000360 1 1 1 C1 TFA 1 N VAL 2 SING ? ? ? 
PRD_000360 1 1 2 C  VAL 2 N ALA 3 SING ? ? ? 
PRD_000360 1 1 3 C  ALA 3 N ANI 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000360 2012-02-08 RCSB "Create molecule"    
PRD_000360 2012-05-01 RCSB "Other modification" 
PRD_000360 2012-07-09 PDBE "Other modification" 
PRD_000360 2012-12-12 RCSB "Initial release"    
PRD_000360 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000361
# 
_pdbx_reference_molecule.prd_id                       PRD_000361 
_pdbx_reference_molecule.name                         "GEM-DIOL INHIBITOR PD-135.040" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H56 F2 N7 O8 S" 
_pdbx_reference_molecule.formula_weight               784.934 
_pdbx_reference_molecule.chem_comp_id                 0QS 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1od1 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000361 
_pdbx_reference_entity_subcomponents.seq            "TSM PHE HIS CHF EMR" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0QS 
# 
_pdbx_reference_entity_list.prd_id          PRD_000361 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000361 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000361 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000361 1 1 TSM .   N Y 
PRD_000361 1 2 PHE PHE N Y 
PRD_000361 1 3 HIS HIS N Y 
PRD_000361 1 4 CHF .   N Y 
PRD_000361 1 5 EMR .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000361 1 1 1 C PHE 2 N     HIS 3 SING ? ? ? 
PRD_000361 1 1 2 C HIS 3 N     CHF 4 SING ? ? ? 
PRD_000361 1 1 3 S TSM 1 N     PHE 2 SING ? ? ? 
PRD_000361 1 1 4 C CHF 4 "N2'" EMR 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000361 2012-02-08 RCSB "Create molecule"    
PRD_000361 2012-05-01 RCSB "Other modification" 
PRD_000361 2012-07-09 PDBE "Other modification" 
PRD_000361 2012-12-12 RCSB "Initial release"    
PRD_000361 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000362
# 
_pdbx_reference_molecule.prd_id                       PRD_000362 
_pdbx_reference_molecule.name                         "INHIBITOR VAL-SER-GLN-ASN-LEU-PSI(CH(OH)-CH2)-VAL-ILE-VAL (U-85548E)" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C40 H73 N9 O12" 
_pdbx_reference_molecule.formula_weight               872.061 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8hvp 
# 
_pdbx_reference_entity_list.prd_id          PRD_000362 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "HYDROXYETHYLENE-BASED INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000362 1 1 C VAL 1 N SER 2 sing 1 ? ? ? 
PRD_000362 1 2 C SER 2 N GLN 3 sing 1 ? ? ? 
PRD_000362 1 3 C GLN 3 N ASN 4 sing 1 ? ? ? 
PRD_000362 1 4 C ASN 4 N LOV 5 sing 1 ? ? ? 
PRD_000362 1 5 C LOV 5 N ILE 6 sing 1 ? ? ? 
PRD_000362 1 6 C ILE 6 N VAL 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000362 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000362 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000362 1 1 VAL VAL N Y 
PRD_000362 1 2 SER SER N Y 
PRD_000362 1 3 GLN GLN N Y 
PRD_000362 1 4 ASN ASN N Y 
PRD_000362 1 5 LOV ?   N Y 
PRD_000362 1 6 ILE ILE N Y 
PRD_000362 1 7 VAL VAL N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000362 2012-02-01 RCSB "Create molecule"    
PRD_000362 2012-07-09 PDBE "Other modification" 
PRD_000362 2012-12-12 RCSB "Initial release"    
PRD_000362 2013-06-03 RCSB "Other modification" 
PRD_000362 2017-05-04 RCSB "Other modification" 
PRD_000362 2020-07-29 RCSB "Other modification" 
PRD_000362 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000363
# 
_pdbx_reference_molecule.prd_id                       PRD_000363 
_pdbx_reference_molecule.name                         Ace-LEALFQ-ethylpropionate 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C40 H63 N7 O11" 
_pdbx_reference_molecule.formula_weight               817.969 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2b0f 
# 
_pdbx_reference_entity_list.prd_id          PRD_000363 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "COVALENTLY BOUND ACE-LEALFQ-ETHYLPROPIONATE INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000363 1 1 C  ACE 1 N   LEU 2 sing 1 ? ? ? 
PRD_000363 1 2 C  LEU 2 N   GLU 3 sing 1 ? ? ? 
PRD_000363 1 3 C  GLU 3 N   ALA 4 sing 1 ? ? ? 
PRD_000363 1 4 C  ALA 4 N   LEU 5 sing 1 ? ? ? 
PRD_000363 1 5 C  LEU 5 N   PHE 6 sing 1 ? ? ? 
PRD_000363 1 6 C  PHE 6 N   GLN 7 sing 1 ? ? ? 
PRD_000363 1 7 CA GLN 7 CX5 CA1 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000363 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000363 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000363 1 1 ACE ?   N Y 
PRD_000363 1 2 LEU LEU N Y 
PRD_000363 1 3 GLU GLU N Y 
PRD_000363 1 4 ALA ALA N Y 
PRD_000363 1 5 LEU LEU N Y 
PRD_000363 1 6 PHE PHE N Y 
PRD_000363 1 7 GLN GLN N Y 
PRD_000363 1 8 CA1 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000363 2012-02-01 RCSB "Create molecule"    
PRD_000363 2012-07-09 PDBE "Other modification" 
PRD_000363 2012-12-12 RCSB "Initial release"    
PRD_000363 2013-06-03 RCSB "Other modification" 
PRD_000363 2020-07-29 RCSB "Other modification" 
PRD_000363 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000364
# 
_pdbx_reference_molecule.prd_id                       PRD_000364 
_pdbx_reference_molecule.name                         "N-(trifluoroacetyl)-L-phenylalanyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H19 F6 N3 O3" 
_pdbx_reference_molecule.formula_weight               475.384 
_pdbx_reference_molecule.chem_comp_id                 0Z0 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1eld 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000364 
_pdbx_reference_entity_subcomponents.seq            "TFA PHE ALA ANI" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0Z0 
# 
_pdbx_reference_entity_list.prd_id          PRD_000364 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000364 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000364 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000364 1 1 TFA .   N Y 
PRD_000364 1 2 PHE PHE N Y 
PRD_000364 1 3 ALA ALA N Y 
PRD_000364 1 4 ANI .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000364 1 1 1 C1 TFA 1 N PHE 2 SING ? ? ? 
PRD_000364 1 1 2 C  PHE 2 N ALA 3 SING ? ? ? 
PRD_000364 1 1 3 C  ALA 3 N ANI 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000364 2012-02-08 RCSB "Create molecule"    
PRD_000364 2012-05-01 RCSB "Other modification" 
PRD_000364 2012-07-09 PDBE "Other modification" 
PRD_000364 2012-12-12 RCSB "Initial release"    
PRD_000364 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000365
# 
_pdbx_reference_molecule.prd_id                       PRD_000365 
_pdbx_reference_molecule.name                         TRIFLUOROACETYL-L-LYSYL-L-PROLYL-P-ISOPROPYLANILIDE 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H32 F3 N4 O3" 
_pdbx_reference_molecule.formula_weight               457.510 
_pdbx_reference_molecule.chem_comp_id                 0Z1 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1ela 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000365 
_pdbx_reference_entity_subcomponents.seq            "TFA LYS PRO ISO" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0Z1 
# 
_pdbx_reference_entity_list.prd_id          PRD_000365 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000365 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000365 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000365 1 1 TFA .   N Y 
PRD_000365 1 2 LYS LYS N Y 
PRD_000365 1 3 PRO PRO N Y 
PRD_000365 1 4 ISO .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000365 1 1 1 C1 TFA 1 N  LYS 2 SING ? ? ? 
PRD_000365 1 1 2 C  LYS 2 N  PRO 3 SING ? ? ? 
PRD_000365 1 1 3 C  PRO 3 N1 ISO 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000365 2012-02-08 RCSB "Create molecule"    
PRD_000365 2012-05-01 RCSB "Other modification" 
PRD_000365 2012-07-09 PDBE "Other modification" 
PRD_000365 2012-12-12 RCSB "Initial release"    
PRD_000365 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000366
# 
_pdbx_reference_molecule.prd_id                       PRD_000366 
_pdbx_reference_molecule.name                         TRIFLUOROACETYL-L-LEUCYL-L-ALANYL-P-TRIFLUOROMETHYLPHENYLANILIDE 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H21 F6 N3 O3" 
_pdbx_reference_molecule.formula_weight               441.368 
_pdbx_reference_molecule.chem_comp_id                 0Z2 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7est 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000366 
_pdbx_reference_entity_subcomponents.seq            "TFA LEU ALA ANI" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0Z2 
# 
_pdbx_reference_entity_list.prd_id          PRD_000366 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000366 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000366 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000366 1 1 TFA .   N Y 
PRD_000366 1 2 LEU LEU N Y 
PRD_000366 1 3 ALA ALA N Y 
PRD_000366 1 4 ANI .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000366 1 1 1 C1 TFA 1 N LEU 2 SING ? ? ? 
PRD_000366 1 1 2 C  LEU 2 N ALA 3 SING ? ? ? 
PRD_000366 1 1 3 C  ALA 3 N ANI 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000366 2012-02-08 RCSB "Create molecule"    
PRD_000366 2012-05-01 RCSB "Other modification" 
PRD_000366 2012-07-09 PDBE "Other modification" 
PRD_000366 2012-12-12 RCSB "Initial release"    
PRD_000366 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000367
# 
_pdbx_reference_molecule.prd_id                       PRD_000367 
_pdbx_reference_molecule.name                         TRIFLUOROACETYL-L-PHENYLALANYL-P-ISOPROPYLANILID 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H34 F3 N4 O3" 
_pdbx_reference_molecule.formula_weight               507.568 
_pdbx_reference_molecule.chem_comp_id                 0Z3 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1elc 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000367 
_pdbx_reference_entity_subcomponents.seq            "TFA LYS PHE ISO" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0Z3 
# 
_pdbx_reference_entity_list.prd_id          PRD_000367 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000367 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000367 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000367 1 1 TFA .   N Y 
PRD_000367 1 2 LYS LYS N Y 
PRD_000367 1 3 PHE PHE N Y 
PRD_000367 1 4 ISO .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000367 1 1 1 C1 TFA 1 N  LYS 2 SING ? ? ? 
PRD_000367 1 1 2 C  LYS 2 N  PHE 3 SING ? ? ? 
PRD_000367 1 1 3 C  PHE 3 N1 ISO 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000367 2012-02-08 RCSB "Create molecule"    
PRD_000367 2012-05-01 RCSB "Other modification" 
PRD_000367 2012-07-09 PDBE "Other modification" 
PRD_000367 2012-12-12 RCSB "Initial release"    
PRD_000367 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000368
# 
_pdbx_reference_molecule.prd_id                       PRD_000368 
_pdbx_reference_molecule.name                         TRIFLUOROACETYL-L-LYSYL-L-LEUCYL-P-ISOPROPYLANILIDE 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H36 F3 N4 O3" 
_pdbx_reference_molecule.formula_weight               473.552 
_pdbx_reference_molecule.chem_comp_id                 0Z4 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1elb 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000368 
_pdbx_reference_entity_subcomponents.seq            "TFA LYS LEU ISO" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0Z4 
# 
_pdbx_reference_entity_list.prd_id          PRD_000368 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000368 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000368 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000368 1 1 TFA .   N Y 
PRD_000368 1 2 LYS LYS N Y 
PRD_000368 1 3 LEU LEU N Y 
PRD_000368 1 4 ISO .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000368 1 1 1 C1 TFA 1 N  LYS 2 SING ? ? ? 
PRD_000368 1 1 2 C  LYS 2 N  LEU 3 SING ? ? ? 
PRD_000368 1 1 3 C  LEU 3 N1 ISO 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000368 2012-02-08 RCSB "Create molecule"    
PRD_000368 2012-05-01 RCSB "Other modification" 
PRD_000368 2012-07-09 PDBE "Other modification" 
PRD_000368 2012-12-12 RCSB "Initial release"    
PRD_000368 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000369
# 
_pdbx_reference_molecule.prd_id                       PRD_000369 
_pdbx_reference_molecule.name                         "D-Phe-Phe-Arg Chloromethylketone" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H36 Cl N6 O3" 
_pdbx_reference_molecule.formula_weight               504.045 
_pdbx_reference_molecule.chem_comp_id                 0Z6 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1dan 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000369 
_pdbx_reference_entity_subcomponents.seq            "DPN PHE AR7 0QE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0Z6 
# 
_pdbx_reference_entity_list.prd_id          PRD_000369 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000369 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000369 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000369 1 1 DPN .   N Y 
PRD_000369 1 2 PHE PHE N Y 
PRD_000369 1 3 AR7 ARG N Y 
PRD_000369 1 4 0QE .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000369 1 1 1 C DPN 1 N  PHE 2 SING ? ? ? 
PRD_000369 1 1 2 C PHE 2 N  AR7 3 SING ? ? ? 
PRD_000369 1 1 3 C AR7 3 C1 0QE 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000369 2012-02-08 RCSB "Create molecule"    
PRD_000369 2012-05-01 RCSB "Other modification" 
PRD_000369 2012-07-09 PDBE "Other modification" 
PRD_000369 2012-12-12 RCSB "Initial release"    
PRD_000369 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000370
# 
_pdbx_reference_molecule.prd_id                       PRD_000370 
_pdbx_reference_molecule.name                         CBZ-LEU-ALA-NHOH 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C17 H25 N3 O5" 
_pdbx_reference_molecule.formula_weight               351.398 
_pdbx_reference_molecule.chem_comp_id                 0Z9 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1af0 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000370 
_pdbx_reference_entity_subcomponents.seq            "PHQ LEU HMA" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0Z9 
# 
_pdbx_reference_entity_list.prd_id          PRD_000370 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000370 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000370 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000370 1 1 PHQ .   N Y 
PRD_000370 1 2 LEU LEU N Y 
PRD_000370 1 3 HMA .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000370 1 1 1 C1 PHQ 1 N LEU 2 SING ? ? ? 
PRD_000370 1 1 2 C  LEU 2 N HMA 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000370 2012-02-08 RCSB "Create molecule"    
PRD_000370 2012-05-01 RCSB "Other modification" 
PRD_000370 2012-07-09 PDBE "Other modification" 
PRD_000370 2012-12-12 RCSB "Initial release"    
PRD_000370 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000371
# 
_pdbx_reference_molecule.prd_id                       PRD_000371 
_pdbx_reference_molecule.name                         HONH-iBM-L-Asp-NHBn 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H25 N3 O6" 
_pdbx_reference_molecule.formula_weight               379.408 
_pdbx_reference_molecule.chem_comp_id                 0ZB 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1a86 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000371 
_pdbx_reference_entity_subcomponents.seq            "HMI ASP ABN" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0ZB 
# 
_pdbx_reference_entity_list.prd_id          PRD_000371 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000371 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000371 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000371 1 1 HMI .   N Y 
PRD_000371 1 2 ASP ASP N Y 
PRD_000371 1 3 ABN .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000371 1 1 1 C HMI 1 N ASP 2 SING ? ? ? 
PRD_000371 1 1 2 C ASP 2 N ABN 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000371 2012-02-08 RCSB "Create molecule"    
PRD_000371 2012-05-01 RCSB "Other modification" 
PRD_000371 2012-07-09 PDBE "Other modification" 
PRD_000371 2012-12-12 RCSB "Initial release"    
PRD_000371 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000372
# 
_pdbx_reference_molecule.prd_id                       PRD_000372 
_pdbx_reference_molecule.name                         "Furoyl-LeusycloTrp; Po1656" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H25 N3 O5" 
_pdbx_reference_molecule.formula_weight               423.462 
_pdbx_reference_molecule.chem_comp_id                 0ZC 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3aig 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000372 
_pdbx_reference_entity_subcomponents.seq            "FLE TCR" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0ZC 
# 
_pdbx_reference_entity_list.prd_id          PRD_000372 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000372 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000372 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000372 1 1 FLE LEU N Y 
PRD_000372 1 2 TCR TRP N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_000372 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          C 
_pdbx_reference_entity_poly_link.comp_id_1          FLE 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          N 
_pdbx_reference_entity_poly_link.comp_id_2          TCR 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000372 2012-02-08 RCSB "Create molecule"    
PRD_000372 2012-05-01 RCSB "Other modification" 
PRD_000372 2012-07-09 PDBE "Other modification" 
PRD_000372 2012-12-12 RCSB "Initial release"    
PRD_000372 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000374
# 
_pdbx_reference_molecule.prd_id                       PRD_000374 
_pdbx_reference_molecule.name                         4-TAPAP 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H28 N4 O3 S" 
_pdbx_reference_molecule.formula_weight               428.548 
_pdbx_reference_molecule.chem_comp_id                 0ZG 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1pph 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000374 
_pdbx_reference_entity_subcomponents.seq            "TSU PIP APM" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0ZG 
# 
_pdbx_reference_entity_list.prd_id          PRD_000374 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000374 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000374 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000374 1 1 TSU . N Y 
PRD_000374 1 2 PIP . N Y 
PRD_000374 1 3 APM . N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000374 1 1 1 S  TSU 1 N APM 3 SING ? ? ? 
PRD_000374 1 1 2 N1 PIP 2 C APM 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000374 2012-02-08 RCSB "Create molecule"    
PRD_000374 2012-05-01 RCSB "Other modification" 
PRD_000374 2012-07-09 PDBE "Other modification" 
PRD_000374 2012-12-12 RCSB "Initial release"    
PRD_000374 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000376
# 
_pdbx_reference_molecule.prd_id                       PRD_000376 
_pdbx_reference_molecule.name                         "dansylarginine-N-(3-ethyl-1,5-pentanediyl)amide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H39 N6 O3 S" 
_pdbx_reference_molecule.formula_weight               503.681 
_pdbx_reference_molecule.chem_comp_id                 0ZI 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1fpc 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000376 
_pdbx_reference_entity_subcomponents.seq            "ANS ARG EPI" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0ZI 
# 
_pdbx_reference_entity_list.prd_id          PRD_000376 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000376 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000376 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000376 1 1 ANS .   N Y 
PRD_000376 1 2 ARG ARG N Y 
PRD_000376 1 3 EPI .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000376 1 1 1 S ANS 1 N  ARG 2 SING ? ? ? 
PRD_000376 1 1 2 C ARG 2 N1 EPI 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000376 2012-02-08 RCSB "Create molecule"    
PRD_000376 2012-05-01 RCSB "Other modification" 
PRD_000376 2012-07-09 PDBE "Other modification" 
PRD_000376 2012-12-12 RCSB "Initial release"    
PRD_000376 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000377
# 
_pdbx_reference_molecule.prd_id                       PRD_000377 
_pdbx_reference_molecule.name                         "N(alpha)-((acetylthio)acetyl)-phenylalanyl-prolyl-arginine chloromethyl ketone" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H36 Cl N6 O4 S" 
_pdbx_reference_molecule.formula_weight               528.088 
_pdbx_reference_molecule.chem_comp_id                 0ZJ 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1nu9 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000377 
_pdbx_reference_entity_subcomponents.seq            "MCR DPN PRO AR7 0QE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0ZJ 
# 
_pdbx_reference_entity_list.prd_id          PRD_000377 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000377 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000377 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000377 1 1 MCR .   N Y 
PRD_000377 1 2 DPN .   N Y 
PRD_000377 1 3 PRO PRO N Y 
PRD_000377 1 4 AR7 ARG N Y 
PRD_000377 1 5 0QE .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000377 1 1 1 C MCR 1 N  DPN 2 SING ? ? ? 
PRD_000377 1 1 2 C DPN 2 N  PRO 3 SING ? ? ? 
PRD_000377 1 1 3 C PRO 3 N  AR7 4 SING ? ? ? 
PRD_000377 1 1 4 C AR7 4 C1 0QE 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000377 2012-02-08 RCSB "Create molecule"    
PRD_000377 2012-05-01 RCSB "Other modification" 
PRD_000377 2012-07-09 PDBE "Other modification" 
PRD_000377 2012-12-12 RCSB "Initial release"    
PRD_000377 2023-09-20 PDBE "Modify audit"       
PRD_000377 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000378
# 
_pdbx_reference_molecule.prd_id                       PRD_000378 
_pdbx_reference_molecule.name                         "N-(ethoxycarbonyl)-L-leucyl-N-[(1R,2S,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-L-leucinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H55 N3 O6" 
_pdbx_reference_molecule.formula_weight               541.763 
_pdbx_reference_molecule.chem_comp_id                 0ZL 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1psa 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000378 
_pdbx_reference_entity_subcomponents.seq            "0AG LEU XAO" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0ZL 
# 
_pdbx_reference_entity_list.prd_id          PRD_000378 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000378 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000378 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000378 1 1 0AG LEU N Y 
PRD_000378 1 2 LEU LEU N Y 
PRD_000378 1 3 XAO .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000378 1 1 1 C 0AG 1 N LEU 2 SING ? ? ? 
PRD_000378 1 1 2 C LEU 2 N XAO 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000378 2012-02-08 RCSB "Create molecule"    
PRD_000378 2012-05-01 RCSB "Other modification" 
PRD_000378 2012-07-09 PDBE "Other modification" 
PRD_000378 2012-12-12 RCSB "Initial release"    
PRD_000378 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000379
# 
_pdbx_reference_molecule.prd_id                       PRD_000379 
_pdbx_reference_molecule.name                         "N-acetylated chloromethylated fibrinopeptide A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C47 H75 Cl N13 O15" 
_pdbx_reference_molecule.formula_weight               1097.629 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1fph 
# 
_pdbx_reference_entity_list.prd_id          PRD_000379 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "FIBRINOPEPTIDE A" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000379 1 1  C ACE 1  N  ASP 2  sing 1 ? ? ? 
PRD_000379 1 2  C ASP 2  N  PHE 3  sing 1 ? ? ? 
PRD_000379 1 3  C PHE 3  N  LEU 4  sing 1 ? ? ? 
PRD_000379 1 4  C LEU 4  N  ALA 5  sing 1 ? ? ? 
PRD_000379 1 5  C ALA 5  N  GLU 6  sing 1 ? ? ? 
PRD_000379 1 6  C GLU 6  N  GLY 7  sing 1 ? ? ? 
PRD_000379 1 7  C GLY 7  N  GLY 8  sing 1 ? ? ? 
PRD_000379 1 8  C GLY 8  N  GLY 9  sing 1 ? ? ? 
PRD_000379 1 9  C GLY 9  N  VAL 10 sing 1 ? ? ? 
PRD_000379 1 10 C VAL 10 N  AR7 11 sing 1 ? ? ? 
PRD_000379 1 11 C AR7 11 C1 0QE 12 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000379 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000379 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000379 1 1  ACE ?   N Y 
PRD_000379 1 2  ASP ASP N Y 
PRD_000379 1 3  PHE PHE N Y 
PRD_000379 1 4  LEU LEU N Y 
PRD_000379 1 5  ALA ALA N Y 
PRD_000379 1 6  GLU GLU N Y 
PRD_000379 1 7  GLY GLY N Y 
PRD_000379 1 8  GLY GLY N Y 
PRD_000379 1 9  GLY GLY N Y 
PRD_000379 1 10 VAL VAL N Y 
PRD_000379 1 11 AR7 ARG N Y 
PRD_000379 1 12 0QE ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000379 2012-04-30 RCSB "Create molecule"    
PRD_000379 2012-07-09 PDBE "Other modification" 
PRD_000379 2012-12-12 RCSB "Initial release"    
PRD_000379 2013-06-03 RCSB "Other modification" 
PRD_000379 2020-07-29 RCSB "Other modification" 
PRD_000379 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000380
# 
_pdbx_reference_molecule.prd_id                       PRD_000380 
_pdbx_reference_molecule.name                         "N-[(1S)-1-carboxy-3-phenylpropyl]-L-leucyl-L-tryptophan" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H33 N3 O5" 
_pdbx_reference_molecule.formula_weight               479.568 
_pdbx_reference_molecule.chem_comp_id                 0ZN 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1tmn 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000380 
_pdbx_reference_entity_subcomponents.seq            "CLT LEU TRP" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0ZN 
# 
_pdbx_reference_entity_list.prd_id          PRD_000380 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000380 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000380 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000380 1 1 CLT .   N Y 
PRD_000380 1 2 LEU LEU N Y 
PRD_000380 1 3 TRP TRP N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000380 1 1 1 CA CLT 1 N LEU 2 SING ? ? ? 
PRD_000380 1 1 2 C  LEU 2 N TRP 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000380 2012-02-08 RCSB "Create molecule"    
PRD_000380 2012-05-01 RCSB "Other modification" 
PRD_000380 2012-07-09 PDBE "Other modification" 
PRD_000380 2012-12-12 RCSB "Initial release"    
PRD_000380 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000381
# 
_pdbx_reference_molecule.prd_id                       PRD_000381 
_pdbx_reference_molecule.name                         SUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYLKETONE 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H35 Cl N4 O7" 
_pdbx_reference_molecule.formula_weight               539.021 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1pjp 
# 
_pdbx_reference_entity_list.prd_id          PRD_000381 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "SUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYLKETONE INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000381 1 1 C4 SIN 1 N  ALA 2 sing 1 ? ? ? 
PRD_000381 1 2 C  ALA 2 N  ALA 3 sing 1 ? ? ? 
PRD_000381 1 3 C  ALA 3 N  PRO 4 sing 1 ? ? ? 
PRD_000381 1 4 C  PRO 4 N  HPH 5 sing 1 ? ? ? 
PRD_000381 1 5 C  HPH 5 C1 0QE 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000381 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000381 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000381 1 1 SIN ?   N N 
PRD_000381 1 2 ALA ALA N Y 
PRD_000381 1 3 ALA ALA N Y 
PRD_000381 1 4 PRO PRO N Y 
PRD_000381 1 5 HPH ?   N Y 
PRD_000381 1 6 0QE ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000381 2012-04-30 RCSB "Create molecule"    
PRD_000381 2012-07-09 PDBE "Other modification" 
PRD_000381 2012-12-12 RCSB "Initial release"    
PRD_000381 2013-06-03 RCSB "Other modification" 
PRD_000381 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000382
# 
_pdbx_reference_molecule.prd_id                       PRD_000382 
_pdbx_reference_molecule.name                         PD125967 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C51 H68 N5 O4" 
_pdbx_reference_molecule.formula_weight               815.117 
_pdbx_reference_molecule.chem_comp_id                 0ZP 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4er1 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000382 
_pdbx_reference_entity_subcomponents.seq            "BNA HIS CAL DCI" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0ZP 
# 
_pdbx_reference_entity_list.prd_id          PRD_000382 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000382 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000382 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000382 1 1 BNA .   N Y 
PRD_000382 1 2 HIS HIS N Y 
PRD_000382 1 3 CAL .   N Y 
PRD_000382 1 4 DCI .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000382 1 1 1 C BNA 1 N HIS 2 SING ? ? ? 
PRD_000382 1 1 2 C HIS 2 N CAL 3 SING ? ? ? 
PRD_000382 1 1 3 C CAL 3 N DCI 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000382 2012-02-08 RCSB "Create molecule"    
PRD_000382 2012-05-01 RCSB "Other modification" 
PRD_000382 2012-07-09 PDBE "Other modification" 
PRD_000382 2012-12-12 RCSB "Initial release"    
PRD_000382 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000383
# 
_pdbx_reference_molecule.prd_id                       PRD_000383 
_pdbx_reference_molecule.name                         "BOC-PHE-PSI[CH2CH2NH]-PHE-GLU-PHE-NH2" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C38 H49 N5 O7" 
_pdbx_reference_molecule.formula_weight               687.825 
_pdbx_reference_molecule.chem_comp_id                 0ZQ 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1lzq 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000383 
_pdbx_reference_entity_subcomponents.seq            "BOC Q00 GLU PHE NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0ZQ 
# 
_pdbx_reference_entity_list.prd_id          PRD_000383 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000383 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000383 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000383 1 1 BOC .   N Y 
PRD_000383 1 2 Q00 .   N Y 
PRD_000383 1 3 GLU GLU N Y 
PRD_000383 1 4 PHE PHE N Y 
PRD_000383 1 5 NH2 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000383 1 1 1 C BOC 1 N Q00 2 SING ? ? ? 
PRD_000383 1 1 2 C Q00 2 N GLU 3 SING ? ? ? 
PRD_000383 1 1 3 C GLU 3 N PHE 4 SING ? ? ? 
PRD_000383 1 1 4 C PHE 4 N NH2 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000383 2012-02-08 RCSB "Create molecule"    
PRD_000383 2012-05-01 RCSB "Other modification" 
PRD_000383 2012-07-09 PDBE "Other modification" 
PRD_000383 2012-12-12 RCSB "Initial release"    
PRD_000383 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000384
# 
_pdbx_reference_molecule.prd_id                       PRD_000384 
_pdbx_reference_molecule.name                         BOC-PS0-PHE-GLN-PHE-NH2 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C38 H50 N6 O7" 
_pdbx_reference_molecule.formula_weight               702.840 
_pdbx_reference_molecule.chem_comp_id                 0ZR 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1zlf 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000384 
_pdbx_reference_entity_subcomponents.seq            "BOC R00 GLN PHE NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0ZR 
# 
_pdbx_reference_entity_list.prd_id          PRD_000384 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000384 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000384 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000384 1 1 BOC .   N Y 
PRD_000384 1 2 R00 .   N Y 
PRD_000384 1 3 GLN GLN N Y 
PRD_000384 1 4 PHE PHE N Y 
PRD_000384 1 5 NH2 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000384 1 1 1 C BOC 1 N R00 2 SING ? ? ? 
PRD_000384 1 1 2 C R00 2 N GLN 3 SING ? ? ? 
PRD_000384 1 1 3 C GLN 3 N PHE 4 SING ? ? ? 
PRD_000384 1 1 4 C PHE 4 N NH2 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000384 2012-02-08 RCSB "Create molecule"    
PRD_000384 2012-05-01 RCSB "Other modification" 
PRD_000384 2012-07-09 PDBE "Other modification" 
PRD_000384 2012-12-12 RCSB "Initial release"    
PRD_000384 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000385
# 
_pdbx_reference_molecule.prd_id                       PRD_000385 
_pdbx_reference_molecule.name                         "BOC-PHE-PSI[R-CH(OH)CH2NH]-PHE-GLU-PHE-NH2" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C38 H49 N5 O8" 
_pdbx_reference_molecule.formula_weight               703.824 
_pdbx_reference_molecule.chem_comp_id                 0ZS 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1z8c 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000385 
_pdbx_reference_entity_subcomponents.seq            "BOC T00 GLU PHE NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0ZS 
# 
_pdbx_reference_entity_list.prd_id          PRD_000385 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000385 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000385 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000385 1 1 BOC .   N Y 
PRD_000385 1 2 T00 .   N Y 
PRD_000385 1 3 GLU GLU N Y 
PRD_000385 1 4 PHE PHE N Y 
PRD_000385 1 5 NH2 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000385 1 1 1 C   BOC 1 N1 T00 2 SING ? ? ? 
PRD_000385 1 1 2 C12 T00 2 N  GLU 3 SING ? ? ? 
PRD_000385 1 1 3 C   GLU 3 N  PHE 4 SING ? ? ? 
PRD_000385 1 1 4 C   PHE 4 N  NH2 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000385 2012-02-08 RCSB "Create molecule"    
PRD_000385 2012-05-01 RCSB "Other modification" 
PRD_000385 2012-07-09 PDBE "Other modification" 
PRD_000385 2012-12-12 RCSB "Initial release"    
PRD_000385 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000386
# 
_pdbx_reference_molecule.prd_id                       PRD_000386 
_pdbx_reference_molecule.name                         "BOC-PHE-PSI[S-CH(OH)CH2NH]-PHE-GLU-PHE-NH2" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C38 H49 N5 O8" 
_pdbx_reference_molecule.formula_weight               703.824 
_pdbx_reference_molecule.chem_comp_id                 0ZT 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1fqx 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000386 
_pdbx_reference_entity_subcomponents.seq            "BOC R00 GLU PHE NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0ZT 
# 
_pdbx_reference_entity_list.prd_id          PRD_000386 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000386 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000386 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000386 1 1 BOC .   N Y 
PRD_000386 1 2 R00 .   N Y 
PRD_000386 1 3 GLU GLU N Y 
PRD_000386 1 4 PHE PHE N Y 
PRD_000386 1 5 NH2 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000386 1 1 1 C BOC 1 N R00 2 SING ? ? ? 
PRD_000386 1 1 2 C R00 2 N GLU 3 SING ? ? ? 
PRD_000386 1 1 3 C GLU 3 N PHE 4 SING ? ? ? 
PRD_000386 1 1 4 C PHE 4 N NH2 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000386 2012-02-08 RCSB "Create molecule"    
PRD_000386 2012-05-01 RCSB "Other modification" 
PRD_000386 2012-07-09 PDBE "Other modification" 
PRD_000386 2012-12-12 RCSB "Initial release"    
PRD_000386 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000387
# 
_pdbx_reference_molecule.prd_id                       PRD_000387 
_pdbx_reference_molecule.name                         
;N-(tert-butoxycarbonyl)-L-alanyl-L-alanyl-N-{(1R)-1-[(S)-[(1S)-2-{[(1R)-1-carboxyethyl]amino}-1-methyl-2-oxoethoxy](hyd
roxy)phosphoryl]-2-methylpropyl}-L-prolinamide
;
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H46 N5 O11 P" 
_pdbx_reference_molecule.formula_weight               635.644 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1p11 
# 
_pdbx_reference_entity_list.prd_id          PRD_000387 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "IRREVERSIBLY BOUND PHOSPHONATE ESTER" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000387 1 1 N   ALA 2 C BOC 1 sing 1 ? ? ? 
PRD_000387 1 2 N   ALA 3 C ALA 2 sing 1 ? ? ? 
PRD_000387 1 3 N   PRO 4 C ALA 3 sing 1 ? ? ? 
PRD_000387 1 4 N   PVA 5 C PRO 4 sing 1 ? ? ? 
PRD_000387 1 5 OHN LAC 6 P PVA 5 sing 1 ? ? ? 
PRD_000387 1 6 N   ALA 7 C LAC 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000387 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000387 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000387 1 1 BOC ?   N Y 
PRD_000387 1 2 ALA ALA N Y 
PRD_000387 1 3 ALA ALA N Y 
PRD_000387 1 4 PRO PRO N Y 
PRD_000387 1 5 PVA ?   N Y 
PRD_000387 1 6 LAC ?   N Y 
PRD_000387 1 7 ALA ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000387 2012-02-01 RCSB "Create molecule"    
PRD_000387 2012-07-09 PDBE "Other modification" 
PRD_000387 2012-12-12 RCSB "Initial release"    
PRD_000387 2013-06-03 RCSB "Other modification" 
PRD_000387 2020-07-29 RCSB "Other modification" 
PRD_000387 2023-09-20 PDBE "Modify audit"       
PRD_000387 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000388
# 
_pdbx_reference_molecule.prd_id                       PRD_000388 
_pdbx_reference_molecule.name                         "T-BUTOXY-ALA-VAL-BORO-LYS 1,3-PROPANEDIOL MONOESTER" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H44 B N4 O7" 
_pdbx_reference_molecule.formula_weight               475.408 
_pdbx_reference_molecule.chem_comp_id                 0ZW 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1btw 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000388 
_pdbx_reference_entity_subcomponents.seq            "BOC ALA VAL BLY PDO" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0ZW 
# 
_pdbx_reference_entity_list.prd_id          PRD_000388 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000388 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000388 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000388 1 1 BOC .   N Y 
PRD_000388 1 2 ALA ALA N Y 
PRD_000388 1 3 VAL VAL N Y 
PRD_000388 1 4 BLY LYS N Y 
PRD_000388 1 5 PDO .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000388 1 1 1 C BOC 1 N  ALA 2 SING ? ? ? 
PRD_000388 1 1 2 C ALA 2 N  VAL 3 SING ? ? ? 
PRD_000388 1 1 3 C VAL 3 N  BLY 4 SING ? ? ? 
PRD_000388 1 1 4 B BLY 4 O1 PDO 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000388 2012-02-08 RCSB "Create molecule"    
PRD_000388 2012-05-01 RCSB "Other modification" 
PRD_000388 2012-07-09 PDBE "Other modification" 
PRD_000388 2012-12-12 RCSB "Initial release"    
PRD_000388 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000389
# 
_pdbx_reference_molecule.prd_id                       PRD_000389 
_pdbx_reference_molecule.name                         "T-BUTOXY-ALA-VAL-BORO-LYS ETHYL ESTER" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H45 B N4 O6" 
_pdbx_reference_molecule.formula_weight               472.427 
_pdbx_reference_molecule.chem_comp_id                 0ZX 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1btx 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000389 
_pdbx_reference_entity_subcomponents.seq            "BOC ALA VAL 0AY" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0ZX 
# 
_pdbx_reference_entity_list.prd_id          PRD_000389 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000389 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000389 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000389 1 1 BOC .   N Y 
PRD_000389 1 2 ALA ALA N Y 
PRD_000389 1 3 VAL VAL N Y 
PRD_000389 1 4 0AY .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000389 1 1 1 C BOC 1 N ALA 2 SING ? ? ? 
PRD_000389 1 1 2 C ALA 2 N VAL 3 SING ? ? ? 
PRD_000389 1 1 3 C VAL 3 N 0AY 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000389 2012-02-08 RCSB "Create molecule"    
PRD_000389 2012-05-01 RCSB "Other modification" 
PRD_000389 2012-07-09 PDBE "Other modification" 
PRD_000389 2012-12-12 RCSB "Initial release"    
PRD_000389 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000390
# 
_pdbx_reference_molecule.prd_id                       PRD_000390 
_pdbx_reference_molecule.name                         "T-BUTOXY-ALA-VAL-BORO-LYS METHYL ESTER" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C19 H40 B N4 O6" 
_pdbx_reference_molecule.formula_weight               431.355 
_pdbx_reference_molecule.chem_comp_id                 0ZY 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1btz 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000390 
_pdbx_reference_entity_subcomponents.seq            "BOC ALA VAL MJS" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0ZY 
# 
_pdbx_reference_entity_list.prd_id          PRD_000390 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000390 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000390 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000390 1 1 BOC .   N Y 
PRD_000390 1 2 ALA ALA N Y 
PRD_000390 1 3 VAL VAL N Y 
PRD_000390 1 4 MJS .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000390 1 1 1 C BOC 1 N ALA 2 SING ? ? ? 
PRD_000390 1 1 2 C ALA 2 N VAL 3 SING ? ? ? 
PRD_000390 1 1 3 C VAL 3 N MJS 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000390 2012-02-08 RCSB "Create molecule"    
PRD_000390 2012-05-01 RCSB "Other modification" 
PRD_000390 2012-07-09 PDBE "Other modification" 
PRD_000390 2012-12-12 RCSB "Initial release"    
PRD_000390 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000391
# 
_pdbx_reference_molecule.prd_id                       PRD_000391 
_pdbx_reference_molecule.name                         "(3S)-5-(benzylsulfanyl)-3-({N-[(5-bromo-2-methoxyphenyl)acetyl]-L-valyl}amino)-4-oxopentanoic acid" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H33 Br N2 O6 S" 
_pdbx_reference_molecule.formula_weight               581.519 
_pdbx_reference_molecule.chem_comp_id                 0ZZ 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1rhq 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000391 
_pdbx_reference_entity_subcomponents.seq            "IRA VAL RH0" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0ZZ 
# 
_pdbx_reference_entity_list.prd_id          PRD_000391 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000391 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000391 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000391 1 1 IRA .   N Y 
PRD_000391 1 2 VAL VAL N Y 
PRD_000391 1 3 RH0 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000391 1 1 1 C IRA 1 N VAL 2 SING ? ? ? 
PRD_000391 1 1 2 C VAL 2 N RH0 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000391 2012-02-08 RCSB "Create molecule"    
PRD_000391 2012-05-01 RCSB "Other modification" 
PRD_000391 2012-07-09 PDBE "Other modification" 
PRD_000391 2012-12-12 RCSB "Initial release"    
PRD_000391 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000392
# 
_pdbx_reference_molecule.prd_id                       PRD_000392 
_pdbx_reference_molecule.name                         "N-(dimethylsulfamoyl)-L-phenylalanyl-N-[(1R,2R)-2-hydroxy-4-{[(2S)-2-methylbutyl]amino}-1-(2-methylpropyl)-4-oxobutyl]-6-[(methylcarbamothioyl)ammonio]-L-norleucinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H57 N7 O6 S2" 
_pdbx_reference_molecule.formula_weight               699.968 
_pdbx_reference_molecule.chem_comp_id                 1Z1 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1epp 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000392 
_pdbx_reference_entity_subcomponents.seq            "MAS PHE LMF STA DCI" 
_pdbx_reference_entity_subcomponents.chem_comp_id   1Z1 
# 
_pdbx_reference_entity_list.prd_id          PRD_000392 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000392 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000392 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000392 1 1 MAS .   N Y 
PRD_000392 1 2 PHE PHE N Y 
PRD_000392 1 3 LMF LYS N Y 
PRD_000392 1 4 STA .   N Y 
PRD_000392 1 5 DCI .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000392 1 1 1 N PHE 2 S MAS 1 SING ? ? ? 
PRD_000392 1 1 2 N LMF 3 C PHE 2 SING ? ? ? 
PRD_000392 1 1 3 N STA 4 C LMF 3 SING ? ? ? 
PRD_000392 1 1 4 N DCI 5 C STA 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000392 2012-02-08 RCSB "Create molecule"    
PRD_000392 2012-05-01 RCSB "Other modification" 
PRD_000392 2012-07-09 PDBE "Other modification" 
PRD_000392 2012-12-12 RCSB "Initial release"    
PRD_000392 2013-02-13 RCSB "Other modification" 
PRD_000392 2013-02-26 RCSB "Other modification" 
PRD_000392 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000393
# 
_pdbx_reference_molecule.prd_id                       PRD_000393 
_pdbx_reference_molecule.name                         "N-(tert-butoxycarbonyl)-L-alanyl-L-alanyl-L-prolyl-L-glutamic acid" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H34 N4 O9" 
_pdbx_reference_molecule.formula_weight               486.516 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1hpg 
# 
_pdbx_reference_entity_list.prd_id          PRD_000393 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "BOC-ALA-ALA-PRO-GLU PEPTIDE" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000393 1 1 C BOC 1 N ALA 2 sing 1 ? ? ? 
PRD_000393 1 2 C ALA 2 N ALA 3 sing 1 ? ? ? 
PRD_000393 1 3 C ALA 3 N PRO 4 sing 1 ? ? ? 
PRD_000393 1 4 C PRO 4 N GLU 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000393 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000393 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000393 1 1 BOC ?   N Y 
PRD_000393 1 2 ALA ALA N Y 
PRD_000393 1 3 ALA ALA N Y 
PRD_000393 1 4 PRO PRO N Y 
PRD_000393 1 5 GLU GLU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000393 2012-02-01 RCSB "Create molecule"    
PRD_000393 2012-07-09 PDBE "Other modification" 
PRD_000393 2012-12-12 RCSB "Initial release"    
PRD_000393 2013-06-03 RCSB "Other modification" 
PRD_000393 2020-07-29 RCSB "Other modification" 
PRD_000393 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000395
# 
_pdbx_reference_molecule.prd_id                       PRD_000395 
_pdbx_reference_molecule.name                         ACE-HAC-ARG-MAA-HAQ-SEL 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C37 H58 N9 O8" 
_pdbx_reference_molecule.formula_weight               756.912 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1d5x 
# 
_pdbx_reference_entity_list.prd_id          PRD_000395 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "DIPEPTIDE MIMETIC" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000395 1 1 C ACE 1 N ALC 2 sing 1 ? ? ? 
PRD_000395 1 2 C ALC 2 N ARG 3 sing 1 ? ? ? 
PRD_000395 1 3 C ARG 3 N MAA 4 sing 1 ? ? ? 
PRD_000395 1 4 C MAA 4 N HAQ 5 sing 1 ? ? ? 
PRD_000395 1 5 C HAQ 5 N SEL 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000395 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000395 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000395 1 1 ACE ?   N Y 
PRD_000395 1 2 ALC ?   N Y 
PRD_000395 1 3 ARG ARG N Y 
PRD_000395 1 4 MAA ALA N Y 
PRD_000395 1 5 HAQ ?   N Y 
PRD_000395 1 6 SEL SER N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000395 2012-02-01 RCSB "Create molecule"    
PRD_000395 2012-07-09 PDBE "Other modification" 
PRD_000395 2012-12-12 RCSB "Initial release"    
PRD_000395 2013-06-03 RCSB "Other modification" 
PRD_000395 2020-07-29 RCSB "Other modification" 
PRD_000395 2023-09-20 PDBE "Modify audit"       
PRD_000395 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000396
# 
_pdbx_reference_molecule.prd_id                       PRD_000396 
_pdbx_reference_molecule.name                         ACE-ALC-ARG-MPQ-MET-ALA-SER-TBG-NH2 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C43 H72 N11 O9 S" 
_pdbx_reference_molecule.formula_weight               919.165 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1d6e 
# 
_pdbx_reference_entity_list.prd_id          PRD_000396 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         PEPTIDOMIMETIC 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000396 1 1 C ACE 1 N ALC 2 sing 1 ? ? ? 
PRD_000396 1 2 C ALC 2 N ARG 3 sing 1 ? ? ? 
PRD_000396 1 3 C ARG 3 N MPQ 4 sing 1 ? ? ? 
PRD_000396 1 4 C MPQ 4 N MET 5 sing 1 ? ? ? 
PRD_000396 1 5 C MET 5 N ALA 6 sing 1 ? ? ? 
PRD_000396 1 6 C ALA 6 N SER 7 sing 1 ? ? ? 
PRD_000396 1 7 C SER 7 N TBG 8 sing 1 ? ? ? 
PRD_000396 1 8 C TBG 8 N NH2 9 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000396 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000396 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000396 1 1 ACE ?   N Y 
PRD_000396 1 2 ALC ?   N Y 
PRD_000396 1 3 ARG ARG N Y 
PRD_000396 1 4 MPQ GLY N Y 
PRD_000396 1 5 MET MET N Y 
PRD_000396 1 6 ALA ALA N Y 
PRD_000396 1 7 SER SER N Y 
PRD_000396 1 8 TBG VAL N Y 
PRD_000396 1 9 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000396 2012-02-01 RCSB "Create molecule"    
PRD_000396 2012-07-09 PDBE "Other modification" 
PRD_000396 2012-07-31 RCSB "Other modification" 
PRD_000396 2012-12-12 RCSB "Initial release"    
PRD_000396 2013-06-03 RCSB "Other modification" 
PRD_000396 2020-07-29 RCSB "Other modification" 
PRD_000396 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000398
# 
_pdbx_reference_molecule.prd_id                       PRD_000398 
_pdbx_reference_molecule.name                         
;
N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide
;
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H68 N11 O8" 
_pdbx_reference_molecule.formula_weight               770.983 
_pdbx_reference_molecule.chem_comp_id                 2NC 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2avq 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000398 
_pdbx_reference_entity_subcomponents.seq            "ACE THR ILE 2A0 GLN ARG NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2NC 
# 
_pdbx_reference_entity_list.prd_id          PRD_000398 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000398 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000398 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000398 1 1 ACE .   N Y 
PRD_000398 1 2 THR THR N Y 
PRD_000398 1 3 ILE ILE N Y 
PRD_000398 1 4 2A0 .   N Y 
PRD_000398 1 5 GLN GLN N Y 
PRD_000398 1 6 ARG ARG N Y 
PRD_000398 1 7 NH2 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000398 1 1 1 C ACE 1 N THR 2 SING ? ? ? 
PRD_000398 1 1 2 C THR 2 N ILE 3 SING ? ? ? 
PRD_000398 1 1 3 C ILE 3 N 2A0 4 SING ? ? ? 
PRD_000398 1 1 4 C 2A0 4 N GLN 5 SING ? ? ? 
PRD_000398 1 1 5 C GLN 5 N ARG 6 SING ? ? ? 
PRD_000398 1 1 6 C ARG 6 N NH2 7 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000398 2012-04-30 RCSB "Create molecule"    
PRD_000398 2012-05-01 RCSB "Other modification" 
PRD_000398 2012-07-09 PDBE "Other modification" 
PRD_000398 2012-12-12 RCSB "Initial release"    
PRD_000398 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000399
# 
_pdbx_reference_molecule.prd_id                       PRD_000399 
_pdbx_reference_molecule.name                         "PHOSPHONATE INHIBITOR SUC-VAL-PRO-PHEP-(OPH)2" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H32 N3 O8 P" 
_pdbx_reference_molecule.formula_weight               497.479 
_pdbx_reference_molecule.chem_comp_id                 1ZG 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1cgh 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000399 
_pdbx_reference_entity_subcomponents.seq            "SIN VAL PRO PPH" 
_pdbx_reference_entity_subcomponents.chem_comp_id   1ZG 
# 
_pdbx_reference_entity_list.prd_id          PRD_000399 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000399 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000399 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000399 1 1 SIN .   N Y 
PRD_000399 1 2 VAL VAL N Y 
PRD_000399 1 3 PRO PRO N Y 
PRD_000399 1 4 PPH .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000399 1 1 1 C4 SIN 1 N  VAL 2 SING ? ? ? 
PRD_000399 1 1 2 C  VAL 2 N  PRO 3 SING ? ? ? 
PRD_000399 1 1 3 C  PRO 3 N1 PPH 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000399 2012-02-08 RCSB "Create molecule"    
PRD_000399 2012-05-01 RCSB "Other modification" 
PRD_000399 2012-07-09 PDBE "Other modification" 
PRD_000399 2012-12-12 RCSB "Initial release"    
PRD_000399 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000400
# 
_pdbx_reference_molecule.prd_id                       PRD_000400 
_pdbx_reference_molecule.name                         SUCCINYL-ALA-PRO-ALA-P-NITROANILIDE 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H27 N5 O8" 
_pdbx_reference_molecule.formula_weight               477.468 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1v9t 
# 
_pdbx_reference_entity_list.prd_id          PRD_000400 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         suc-APA-pNa 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000400 1 1 C4 SIN 1 N  ALA 2 sing 1 ? ? ? 
PRD_000400 1 2 C  ALA 2 N  PRO 3 sing 1 ? ? ? 
PRD_000400 1 3 C  PRO 3 N  ALA 4 sing 1 ? ? ? 
PRD_000400 1 4 C  ALA 4 N1 NIT 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000400 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000400 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000400 1 1 SIN ?   N Y 
PRD_000400 1 2 ALA ALA N Y 
PRD_000400 1 3 PRO PRO N Y 
PRD_000400 1 4 ALA ALA N Y 
PRD_000400 1 5 NIT ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000400 2012-02-01 RCSB "Create molecule"    
PRD_000400 2012-07-09 PDBE "Other modification" 
PRD_000400 2012-12-12 RCSB "Initial release"    
PRD_000400 2013-06-03 RCSB "Other modification" 
PRD_000400 2020-07-29 RCSB "Other modification" 
PRD_000400 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000401
# 
_pdbx_reference_molecule.prd_id                       PRD_000401 
_pdbx_reference_molecule.name                         "PEPTIDOMIMETIC INHIBITOR KI2-PHE-GLU-GLU-NH2" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C37 H43 N5 O11" 
_pdbx_reference_molecule.formula_weight               733.764 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1nh0 
# 
_pdbx_reference_entity_list.prd_id          PRD_000401 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDOMIMETIC INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000401 1 1 C KI2 1 N PHE 2 sing 1 ? ? ? 
PRD_000401 1 2 C PHE 2 N GLU 3 sing 1 ? ? ? 
PRD_000401 1 3 C GLU 3 N GLU 4 sing 1 ? ? ? 
PRD_000401 1 4 C GLU 4 N NH2 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000401 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000401 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000401 1 1 KI2 ?   N Y 
PRD_000401 1 2 PHE PHE N Y 
PRD_000401 1 3 GLU GLU N Y 
PRD_000401 1 4 GLU GLU N Y 
PRD_000401 1 5 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000401 2012-02-01 RCSB "Create molecule"    
PRD_000401 2012-07-09 PDBE "Other modification" 
PRD_000401 2012-12-12 RCSB "Initial release"    
PRD_000401 2013-06-03 RCSB "Other modification" 
PRD_000401 2020-07-29 RCSB "Other modification" 
PRD_000401 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000402
# 
_pdbx_reference_molecule.prd_id                       PRD_000402 
_pdbx_reference_molecule.name                         "methoxysuccinyl-alanyl-alanyl-prolyl-alanine chloromethyl ketone" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H33 Cl N4 O7" 
_pdbx_reference_molecule.formula_weight               476.952 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1hne 
# 
_pdbx_reference_entity_list.prd_id          PRD_000402 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "METHOXYSUCCINYL-ALA-ALA-PRO-ALA CHLOROMETHYL KETONE INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000402 1 1 C1 MSU 1 N  ALA 2 sing 1 ? ? ? 
PRD_000402 1 2 C  ALA 2 N  ALA 3 sing 1 ? ? ? 
PRD_000402 1 3 C  ALA 3 N  PRO 4 sing 1 ? ? ? 
PRD_000402 1 4 C  PRO 4 N  ALV 5 sing 1 ? ? ? 
PRD_000402 1 5 C  ALV 5 C1 0QE 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000402 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000402 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000402 1 1 MSU ?   N Y 
PRD_000402 1 2 ALA ALA N Y 
PRD_000402 1 3 ALA ALA N Y 
PRD_000402 1 4 PRO PRO N Y 
PRD_000402 1 5 ALV ?   N Y 
PRD_000402 1 6 0QE ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000402 2012-04-30 RCSB "Create molecule"    
PRD_000402 2012-07-09 PDBE "Other modification" 
PRD_000402 2012-12-12 RCSB "Initial release"    
PRD_000402 2013-06-03 RCSB "Other modification" 
PRD_000402 2020-07-29 RCSB "Other modification" 
PRD_000402 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000403
# 
_pdbx_reference_molecule.prd_id                       PRD_000403 
_pdbx_reference_molecule.name                         "Noa-His-Cha.psi.[CHOHCHOH]Val-Ile-Amp, U75875" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C45 H62 N7 O7" 
_pdbx_reference_molecule.formula_weight               813.016 
_pdbx_reference_molecule.chem_comp_id                 1ZK 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1hiv 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000403 
_pdbx_reference_entity_subcomponents.seq            "NOA HIS CAV ILE APY" 
_pdbx_reference_entity_subcomponents.chem_comp_id   1ZK 
# 
_pdbx_reference_entity_list.prd_id          PRD_000403 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000403 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000403 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000403 1 1 NOA .   N Y 
PRD_000403 1 2 HIS HIS N Y 
PRD_000403 1 3 CAV .   N Y 
PRD_000403 1 4 ILE ILE N Y 
PRD_000403 1 5 APY .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000403 1 1 1 C NOA 1 N HIS 2 SING ? ? ? 
PRD_000403 1 1 2 C HIS 2 N CAV 3 SING ? ? ? 
PRD_000403 1 1 3 C CAV 3 N ILE 4 SING ? ? ? 
PRD_000403 1 1 4 C ILE 4 N APY 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000403 2012-02-08 RCSB "Create molecule"    
PRD_000403 2012-05-01 RCSB "Other modification" 
PRD_000403 2012-07-09 PDBE "Other modification" 
PRD_000403 2012-12-12 RCSB "Initial release"    
PRD_000403 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000404
# 
_pdbx_reference_molecule.prd_id                       PRD_000404 
_pdbx_reference_molecule.name                         L-prolyl-L-leucyl-N-hydroxyglycinamide 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C13 H24 N4 O4" 
_pdbx_reference_molecule.formula_weight               300.354 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1jan 
# 
_pdbx_reference_entity_list.prd_id          PRD_000404 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "HYDROXAMIC ACID INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000404 1 1 C PRO 1 N LEU 2 sing 1 ? ? ? 
PRD_000404 1 2 C LEU 2 N GLY 3 sing 1 ? ? ? 
PRD_000404 1 3 C GLY 3 N HOA 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000404 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000404 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000404 1 1 PRO PRO N Y 
PRD_000404 1 2 LEU LEU N Y 
PRD_000404 1 3 GLY GLY N Y 
PRD_000404 1 4 HOA ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000404 2012-02-01 RCSB "Create molecule"    
PRD_000404 2012-07-09 PDBE "Other modification" 
PRD_000404 2012-12-12 RCSB "Initial release"    
PRD_000404 2013-06-03 RCSB "Other modification" 
PRD_000404 2020-07-29 RCSB "Other modification" 
PRD_000404 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000405
# 
_pdbx_reference_molecule.prd_id                       PRD_000405 
_pdbx_reference_molecule.name                         
;N-acetyl-L-valyl-3,3-dimethyl-L-alpha-aspartyl-N~4~,N~4~-dimethyl-N~1~-[(1R)-3,3,3-trifluoro-1-methyl-2-oxopropyl]-L-as
partamide
;
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H36 F3 N5 O8" 
_pdbx_reference_molecule.formula_weight               567.556 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1nkk 
# 
_pdbx_reference_entity_list.prd_id          PRD_000405 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDOMIMETIC INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000405 1 1 C ACE 1 N  VAL 2 sing 1 ? ? ? 
PRD_000405 1 2 C VAL 2 N  DMK 3 sing 1 ? ? ? 
PRD_000405 1 3 C DMK 3 N  DMH 4 sing 1 ? ? ? 
PRD_000405 1 4 C DMH 4 N  ALA 5 sing 1 ? ? ? 
PRD_000405 1 5 C ALA 5 C1 CFT 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000405 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000405 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000405 1 1 ACE ?   N Y 
PRD_000405 1 2 VAL VAL N Y 
PRD_000405 1 3 DMK ASP N Y 
PRD_000405 1 4 DMH ASN N Y 
PRD_000405 1 5 ALA ALA N Y 
PRD_000405 1 6 CFT ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000405 2012-02-01 RCSB "Create molecule"    
PRD_000405 2012-07-09 PDBE "Other modification" 
PRD_000405 2012-12-12 RCSB "Initial release"    
PRD_000405 2013-06-03 RCSB "Other modification" 
PRD_000405 2020-07-29 RCSB "Other modification" 
PRD_000405 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000406
# 
_pdbx_reference_molecule.prd_id                       PRD_000406 
_pdbx_reference_molecule.name                         ACE-IPA-GLU-GLU-ILE 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H40 N4 O12" 
_pdbx_reference_molecule.formula_weight               636.647 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1bhf 
# 
_pdbx_reference_entity_list.prd_id          PRD_000406 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ACE-IPA-GLU-GLU-ILE 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000406 1 1 C ACE 1 N 1PA 2 sing 1 ? ? ? 
PRD_000406 1 2 C 1PA 2 N GLU 3 sing 1 ? ? ? 
PRD_000406 1 3 C GLU 3 N GLU 4 sing 1 ? ? ? 
PRD_000406 1 4 C GLU 4 N ILE 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000406 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000406 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000406 1 1 ACE ?   N Y 
PRD_000406 1 2 1PA PHE N Y 
PRD_000406 1 3 GLU GLU N Y 
PRD_000406 1 4 GLU GLU N Y 
PRD_000406 1 5 ILE ILE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000406 2012-02-01 RCSB "Create molecule"    
PRD_000406 2012-07-09 PDBE "Other modification" 
PRD_000406 2012-07-31 RCSB "Other modification" 
PRD_000406 2012-12-12 RCSB "Initial release"    
PRD_000406 2013-06-03 RCSB "Other modification" 
PRD_000406 2020-07-29 RCSB "Other modification" 
PRD_000406 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000407
# 
_pdbx_reference_molecule.prd_id                       PRD_000407 
_pdbx_reference_molecule.name                         
;1-{(2R)-2-[(8R,11S)-8-(2-amino-2-oxoethyl)-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-
2-hydroxyethyl}-L-prolyl-L-isoleucyl-L-valinamide
;
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C34 H53 N7 O8" 
_pdbx_reference_molecule.formula_weight               687.827 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1cpi 
# 
_pdbx_reference_entity_list.prd_id          PRD_000407 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "HYDROLYTICALLY STABLE CYCLIC PEPTIDOMIMETIC INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000407 1 1 C  ASN 1 N  RTY 2 sing 1 ? ? ? 
PRD_000407 1 2 N  ASN 1 C2 RTY 2 sing 1 ? ? ? 
PRD_000407 1 3 C6 RTY 2 N  PRO 3 sing 1 ? ? ? 
PRD_000407 1 4 C  PRO 3 N  ILE 4 sing 1 ? ? ? 
PRD_000407 1 5 C  ILE 4 N  VAL 5 sing 1 ? ? ? 
PRD_000407 1 6 C  VAL 5 N  NH2 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000407 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000407 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000407 1 1 ASN ASN N Y 
PRD_000407 1 2 RTY TYR N Y 
PRD_000407 1 3 PRO PRO N Y 
PRD_000407 1 4 ILE ILE N Y 
PRD_000407 1 5 VAL VAL N Y 
PRD_000407 1 6 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000407 2012-02-01 RCSB "Create molecule"    
PRD_000407 2012-07-09 PDBE "Other modification" 
PRD_000407 2012-12-12 RCSB "Initial release"    
PRD_000407 2013-06-03 RCSB "Other modification" 
PRD_000407 2020-07-29 RCSB "Other modification" 
PRD_000407 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000409
# 
_pdbx_reference_molecule.prd_id                       PRD_000409 
_pdbx_reference_molecule.name                         "MAZ-PY-(ALPHA ME)PY-N-NH2" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H37 N5 O15 P2" 
_pdbx_reference_molecule.formula_weight               781.598 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1jyq 
# 
_pdbx_reference_entity_list.prd_id          PRD_000409 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "HIGH-AFFINITY PHOSPHO PEPTIDE" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000409 1 1 C16 MAZ 1 N PTR 2 sing 1 ? ? ? 
PRD_000409 1 2 C   PTR 2 N PTM 3 sing 1 ? ? ? 
PRD_000409 1 3 C   PTM 3 N ASN 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000409 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000409 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000409 1 1 MAZ ?   N Y 
PRD_000409 1 2 PTR TYR N Y 
PRD_000409 1 3 PTM TYR N Y 
PRD_000409 1 4 ASN ASN N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000409 2012-02-01 RCSB "Create molecule"    
PRD_000409 2012-07-09 PDBE "Other modification" 
PRD_000409 2012-12-12 RCSB "Initial release"    
PRD_000409 2013-06-03 RCSB "Other modification" 
PRD_000409 2020-07-29 RCSB "Other modification" 
PRD_000409 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000410
# 
_pdbx_reference_molecule.prd_id                       PRD_000410 
_pdbx_reference_molecule.name                         "amino({3-[(3R,5R,14S,16S,21aR)-5,14-dihydroxy-1,4,17-trioxo-16-(2-phenylethyl)icosahydro-1H-pyrrolo[1,2-d][1,4,7,11]tetraazacyclononadecin-3-yl]propyl}amino)methaniminium" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H50 N7 O5" 
_pdbx_reference_molecule.formula_weight               588.762 
_pdbx_reference_molecule.chem_comp_id                 1ZV 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1ay6 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000410 
_pdbx_reference_entity_subcomponents.seq            "HMF PRO 00W 8AC" 
_pdbx_reference_entity_subcomponents.chem_comp_id   1ZV 
# 
_pdbx_reference_entity_list.prd_id          PRD_000410 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000410 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000410 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000410 1 1 HMF .   N Y 
PRD_000410 1 2 PRO PRO N Y 
PRD_000410 1 3 00W .   N Y 
PRD_000410 1 4 8AC .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000410 1 1 1 C9 00W 3 N3  8AC 4 SING ? ? ? 
PRD_000410 1 1 2 C  HMF 1 N   PRO 2 SING ? ? ? 
PRD_000410 1 1 3 C  PRO 2 N2  00W 3 SING ? ? ? 
PRD_000410 1 1 4 N  HMF 1 C81 8AC 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000410 2012-02-08 RCSB "Create molecule"    
PRD_000410 2012-05-01 RCSB "Other modification" 
PRD_000410 2012-07-09 PDBE "Other modification" 
PRD_000410 2012-12-12 RCSB "Initial release"    
PRD_000410 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000411
# 
_pdbx_reference_molecule.prd_id                       PRD_000411 
_pdbx_reference_molecule.name                         "N-acetyl-L-alanyl-6-ammonio-N-[(1R)-4-carbamimidamido-1-(dihydroxyboranyl)butyl]-L-norleucinamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C16 H35 B N7 O5" 
_pdbx_reference_molecule.formula_weight               416.304 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1ot5 
# 
_pdbx_reference_entity_list.prd_id          PRD_000411 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDYL-BORONIC ACID INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000411 1 1 C ACE 1 N ALA 2 sing 1 ? ? ? 
PRD_000411 1 2 C ALA 2 N LYS 3 sing 1 ? ? ? 
PRD_000411 1 3 C LYS 3 N BOR 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000411 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000411 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000411 1 1 ACE ?   N Y 
PRD_000411 1 2 ALA ALA N Y 
PRD_000411 1 3 LYS LYS N Y 
PRD_000411 1 4 BOR ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000411 2012-02-01 RCSB "Create molecule"    
PRD_000411 2012-07-09 PDBE "Other modification" 
PRD_000411 2012-12-12 RCSB "Initial release"    
PRD_000411 2013-06-03 RCSB "Other modification" 
PRD_000411 2020-07-29 RCSB "Other modification" 
PRD_000411 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000413
# 
_pdbx_reference_molecule.prd_id                       PRD_000413 
_pdbx_reference_molecule.name                         "dansylglutamyl-glycyl-arginine chloromethyl ketone" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H37 Cl N7 O7 S" 
_pdbx_reference_molecule.formula_weight               627.133 
_pdbx_reference_molecule.chem_comp_id                 2Z0 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1bda 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000413 
_pdbx_reference_entity_subcomponents.seq            "DSY GLU GLY AR7 0QE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2Z0 
# 
_pdbx_reference_entity_list.prd_id          PRD_000413 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000413 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000413 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000413 1 1 DSY .   N Y 
PRD_000413 1 2 GLU GLU N Y 
PRD_000413 1 3 GLY GLY N Y 
PRD_000413 1 4 AR7 ARG N Y 
PRD_000413 1 5 0QE .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000413 1 1 1 S DSY 1 N  GLU 2 SING ? ? ? 
PRD_000413 1 1 2 C GLU 2 N  GLY 3 SING ? ? ? 
PRD_000413 1 1 3 C GLY 3 N  AR7 4 SING ? ? ? 
PRD_000413 1 1 4 C AR7 4 C1 0QE 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000413 2012-02-08 RCSB "Create molecule"    
PRD_000413 2012-05-01 RCSB "Other modification" 
PRD_000413 2012-07-09 PDBE "Other modification" 
PRD_000413 2012-12-12 RCSB "Initial release"    
PRD_000413 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000414
# 
_pdbx_reference_molecule.prd_id                       PRD_000414 
_pdbx_reference_molecule.name                         "Meo-Suc-Ala-Ala-Pro-Val-chloromethyl ketone" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H39 Cl N4 O7" 
_pdbx_reference_molecule.formula_weight               507.021 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1ppg 
# 
_pdbx_reference_entity_list.prd_id          PRD_000414 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "MEO-SUCCINYL-ALA-ALA-PRO-VAL CHLOROMETHYLKETONE INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000414 1 1 C HMB 1 N  ALA 2 sing 1 ? ? ? 
PRD_000414 1 2 C ALA 2 N  ALA 3 sing 1 ? ? ? 
PRD_000414 1 3 C ALA 3 N  PRO 4 sing 1 ? ? ? 
PRD_000414 1 4 C PRO 4 N  VAI 5 sing 1 ? ? ? 
PRD_000414 1 5 C VAI 5 C1 0QE 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000414 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000414 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000414 1 1 HMB ?   N Y 
PRD_000414 1 2 ALA ALA N Y 
PRD_000414 1 3 ALA ALA N Y 
PRD_000414 1 4 PRO PRO N Y 
PRD_000414 1 5 VAI VAL N Y 
PRD_000414 1 6 0QE ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000414 2012-04-30 RCSB "Create molecule"    
PRD_000414 2012-07-09 PDBE "Other modification" 
PRD_000414 2012-12-12 RCSB "Initial release"    
PRD_000414 2013-06-03 RCSB "Other modification" 
PRD_000414 2020-07-29 RCSB "Other modification" 
PRD_000414 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000415
# 
_pdbx_reference_molecule.prd_id                       PRD_000415 
_pdbx_reference_molecule.name                         Amastatin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H38 N4 O8" 
_pdbx_reference_molecule.formula_weight               474.548 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1bll 
# 
_pdbx_reference_entity_list.prd_id          PRD_000415 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "AMASTATIN, GEM-DIOLATE TRANSITION STATE" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000415 1 1 C L2O 1 N VAL 2 sing 1 ? ? ? 
PRD_000415 1 2 C VAL 2 N VAL 3 sing 1 ? ? ? 
PRD_000415 1 3 C VAL 3 N ASP 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000415 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000415 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000415 1 1 L2O ?   N Y 
PRD_000415 1 2 VAL VAL N Y 
PRD_000415 1 3 VAL VAL N Y 
PRD_000415 1 4 ASP ASP N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000415 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 ? 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces sp. ME98-M3" 
_pdbx_reference_entity_src_nat.source                PubMed 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000415 2012-02-08 RCSB "Create molecule"    
PRD_000415 2012-07-09 PDBE "Other modification" 
PRD_000415 2012-12-12 RCSB "Initial release"    
PRD_000415 2020-07-29 RCSB "Other modification" 
PRD_000415 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000416
# 
_pdbx_reference_molecule.prd_id                       PRD_000416 
_pdbx_reference_molecule.name                         "CP-81,282, MOR-PHE-NLE-CHF-NME" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H49 F2 N5 O7" 
_pdbx_reference_molecule.formula_weight               653.758 
_pdbx_reference_molecule.chem_comp_id                 2Z3 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2jxr 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000416 
_pdbx_reference_entity_subcomponents.seq            "MOR PHE NLE CHF NME" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2Z3 
# 
_pdbx_reference_entity_list.prd_id          PRD_000416 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000416 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000416 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000416 1 1 MOR .   N Y 
PRD_000416 1 2 PHE PHE N Y 
PRD_000416 1 3 NLE LEU N Y 
PRD_000416 1 4 CHF .   N Y 
PRD_000416 1 5 NME .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000416 1 1 1 C MOR 1 N PHE 2 SING ? ? ? 
PRD_000416 1 1 2 C PHE 2 N NLE 3 SING ? ? ? 
PRD_000416 1 1 3 C NLE 3 N CHF 4 SING ? ? ? 
PRD_000416 1 1 4 C CHF 4 N NME 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000416 2012-02-08 RCSB "Create molecule"    
PRD_000416 2012-05-01 RCSB "Other modification" 
PRD_000416 2012-07-09 PDBE "Other modification" 
PRD_000416 2012-12-12 RCSB "Initial release"    
PRD_000416 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000417
# 
_pdbx_reference_molecule.prd_id                       PRD_000417 
_pdbx_reference_molecule.name                         "INHIBITOR SDZ283-910" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C46 H59 N5 O9" 
_pdbx_reference_molecule.formula_weight               825.989 
_pdbx_reference_molecule.chem_comp_id                 2Z4 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1a8g 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000417 
_pdbx_reference_entity_subcomponents.seq            "PHQ TBG HV8 VAL HV7" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2Z4 
# 
_pdbx_reference_entity_list.prd_id          PRD_000417 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000417 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000417 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000417 1 1 PHQ .   N Y 
PRD_000417 1 2 TBG VAL N Y 
PRD_000417 1 3 HV8 .   N Y 
PRD_000417 1 4 VAL VAL N Y 
PRD_000417 1 5 HV7 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000417 1 1 1 C1 PHQ 1 N TBG 2 SING ? ? ? 
PRD_000417 1 1 2 C  TBG 2 N HV8 3 SING ? ? ? 
PRD_000417 1 1 3 C  HV8 3 N VAL 4 SING ? ? ? 
PRD_000417 1 1 4 C  VAL 4 N HV7 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000417 2012-02-08 RCSB "Create molecule"    
PRD_000417 2012-05-01 RCSB "Other modification" 
PRD_000417 2012-07-09 PDBE "Other modification" 
PRD_000417 2012-12-12 RCSB "Initial release"    
PRD_000417 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000418
# 
_pdbx_reference_molecule.prd_id                       PRD_000418 
_pdbx_reference_molecule.name                         "Trifluoroacetyl dipeptide anilide inhibitor, TFA LYS ALA ANI" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H23 F6 N4 O3" 
_pdbx_reference_molecule.formula_weight               457.391 
_pdbx_reference_molecule.chem_comp_id                 2Z5 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2est 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000418 
_pdbx_reference_entity_subcomponents.seq            "TFA LYS ALA ANI" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2Z5 
# 
_pdbx_reference_entity_list.prd_id          PRD_000418 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000418 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000418 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000418 1 1 TFA .   N Y 
PRD_000418 1 2 LYS LYS N Y 
PRD_000418 1 3 ALA ALA N Y 
PRD_000418 1 4 ANI .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000418 1 1 1 C1 TFA 1 N LYS 2 SING ? ? ? 
PRD_000418 1 1 2 C  LYS 2 N ALA 3 SING ? ? ? 
PRD_000418 1 1 3 C  ALA 3 N ANI 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000418 2012-02-08 RCSB "Create molecule"    
PRD_000418 2012-05-01 RCSB "Other modification" 
PRD_000418 2012-07-09 PDBE "Other modification" 
PRD_000418 2012-12-12 RCSB "Initial release"    
PRD_000418 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000419
# 
_pdbx_reference_molecule.prd_id                       PRD_000419 
_pdbx_reference_molecule.name                         "Acetyl-L-alanyl-L-alanyl-L-phenylalanyl-L-alanine chloromethyl ketone, AcAAPACK" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H29 Cl N4 O5" 
_pdbx_reference_molecule.formula_weight               452.932 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1pad 
# 
_pdbx_reference_entity_list.prd_id          PRD_000419 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "CHLOROMETHYL KETONE SUBSTRATE ANALOGUE" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000419 1 1 C ACE 1 N  ALA 2 sing 1 ? ? ? 
PRD_000419 1 2 C ALA 2 N  ALA 3 sing 1 ? ? ? 
PRD_000419 1 3 C ALA 3 N  PHE 4 sing 1 ? ? ? 
PRD_000419 1 4 C PHE 4 N  ALA 5 sing 1 ? ? ? 
PRD_000419 1 5 C ALA 5 C1 0QE 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000419 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000419 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000419 1 1 ACE ?   N Y 
PRD_000419 1 2 ALA ALA N Y 
PRD_000419 1 3 ALA ALA N Y 
PRD_000419 1 4 PHE PHE N Y 
PRD_000419 1 5 ALA ALA N Y 
PRD_000419 1 6 0QE ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000419 2012-04-30 RCSB "Create molecule"    
PRD_000419 2012-07-09 PDBE "Other modification" 
PRD_000419 2012-12-12 RCSB "Initial release"    
PRD_000419 2013-06-03 RCSB "Other modification" 
PRD_000419 2020-07-29 RCSB "Other modification" 
PRD_000419 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000420
# 
_pdbx_reference_molecule.prd_id                       PRD_000420 
_pdbx_reference_molecule.name                         "AC-ARG-GLU-LYS-BOROARG PEPTIDYL BORONIC ACID" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H50 B N11 O8" 
_pdbx_reference_molecule.formula_weight               631.534 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1r64 
# 
_pdbx_reference_entity_list.prd_id          PRD_000420 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "AC-ARG-GLU-LYS-BOROARG PEPTIDYL BORONIC ACID" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000420 1 1 C ACE 1 N ARG 2 sing 1 ? ? ? 
PRD_000420 1 2 C ARG 2 N GLU 3 sing 1 ? ? ? 
PRD_000420 1 3 C GLU 3 N LYS 4 sing 1 ? ? ? 
PRD_000420 1 4 C LYS 4 N BOR 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000420 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000420 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000420 1 1 ACE ?   N Y 
PRD_000420 1 2 ARG ARG N Y 
PRD_000420 1 3 GLU GLU N Y 
PRD_000420 1 4 LYS LYS N Y 
PRD_000420 1 5 BOR ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000420 2012-02-01 RCSB "Create molecule"    
PRD_000420 2012-07-09 PDBE "Other modification" 
PRD_000420 2012-07-10 RCSB "Other modification" 
PRD_000420 2012-12-12 RCSB "Initial release"    
PRD_000420 2013-06-03 RCSB "Other modification" 
PRD_000420 2020-07-29 RCSB "Other modification" 
PRD_000420 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000421
# 
_pdbx_reference_molecule.prd_id                       PRD_000421 
_pdbx_reference_molecule.name                         "ACE-PRO-ALA-PRO-PHE-ALDEHYDE, BOUND FORM" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H32 N4 O5" 
_pdbx_reference_molecule.formula_weight               456.535 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3sga 
# 
_pdbx_reference_entity_list.prd_id          PRD_000421 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "ACE-PRO-ALA-PRO-PHE-ALDEHYDE, BOUND FORM" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000421 1 1 N PRO 2 C ACE 1 sing 1 ? ? ? 
PRD_000421 1 2 N ALA 3 C PRO 2 sing 1 ? ? ? 
PRD_000421 1 3 N PRO 4 C ALA 3 sing 1 ? ? ? 
PRD_000421 1 4 N PHL 5 C PRO 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000421 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000421 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000421 1 1 ACE ? N Y 
PRD_000421 1 2 PRO ? N Y 
PRD_000421 1 3 ALA ? N Y 
PRD_000421 1 4 PRO ? N Y 
PRD_000421 1 5 PHL ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000421 2012-02-01 RCSB "Create molecule"    
PRD_000421 2012-07-09 PDBE "Other modification" 
PRD_000421 2012-09-13 PDBE "Other modification" 
PRD_000421 2012-12-12 RCSB "Initial release"    
PRD_000421 2013-06-03 RCSB "Other modification" 
PRD_000421 2020-07-29 RCSB "Other modification" 
PRD_000421 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000422
# 
_pdbx_reference_molecule.prd_id                       PRD_000422 
_pdbx_reference_molecule.name                         Ac-Asp-Glu-Val-Asp-Aldehyde 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H32 N4 O11" 
_pdbx_reference_molecule.formula_weight               504.488 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2h5i 
# 
_pdbx_reference_entity_list.prd_id          PRD_000422 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "INHIBITOR AC-DEVD-CHO" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000422 1 1 C ACE 1 N ASP 2 sing 1 ? ? ? 
PRD_000422 1 2 C ASP 2 N GLU 3 sing 1 ? ? ? 
PRD_000422 1 3 C GLU 3 N VAL 4 sing 1 ? ? ? 
PRD_000422 1 4 C VAL 4 N ASJ 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000422 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000422 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000422 1 1 ACE ?   N Y 
PRD_000422 1 2 ASP ASP N Y 
PRD_000422 1 3 GLU GLU N Y 
PRD_000422 1 4 VAL VAL N Y 
PRD_000422 1 5 ASJ ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000422 2012-02-03 RCSB "Create molecule"    
PRD_000422 2012-07-09 PDBE "Other modification" 
PRD_000422 2012-12-12 RCSB "Initial release"    
PRD_000422 2013-06-03 RCSB "Other modification" 
PRD_000422 2020-07-29 RCSB "Other modification" 
PRD_000422 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000423
# 
_pdbx_reference_molecule.prd_id                       PRD_000423 
_pdbx_reference_molecule.name                         "N-acetyl-L-leucyl-L-alanyl-N-[(1S)-4-(dimethylamino)-1-(fluoroacetyl)-4-oxobutyl]-L-alaninamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H38 F N5 O6" 
_pdbx_reference_molecule.formula_weight               487.565 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2h6m 
# 
_pdbx_reference_entity_list.prd_id          PRD_000423 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE-BASED KETONE INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000423 1 1 C ACE 1 N  LEU 2 sing 1 ? ? ? 
PRD_000423 1 2 C LEU 2 N  ALA 3 sing 1 ? ? ? 
PRD_000423 1 3 C ALA 3 N  ALA 4 sing 1 ? ? ? 
PRD_000423 1 4 C ALA 4 N  QMM 5 sing 1 ? ? ? 
PRD_000423 1 5 C QMM 5 C1 CF0 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000423 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000423 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000423 1 1 ACE ?   N Y 
PRD_000423 1 2 LEU LEU N Y 
PRD_000423 1 3 ALA ALA N Y 
PRD_000423 1 4 ALA ALA N Y 
PRD_000423 1 5 QMM GLN N Y 
PRD_000423 1 6 CF0 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000423 2012-04-30 RCSB "Create molecule"    
PRD_000423 2012-07-09 PDBE "Other modification" 
PRD_000423 2012-12-12 RCSB "Initial release"    
PRD_000423 2013-06-03 RCSB "Other modification" 
PRD_000423 2020-07-29 RCSB "Other modification" 
PRD_000423 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000424
# 
_pdbx_reference_molecule.prd_id                       PRD_000424 
_pdbx_reference_molecule.name                         ACE-ALA-ALA-PRO-ALA-7-AMINO-4-METHYLCOUMARINN 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H31 N5 O7" 
_pdbx_reference_molecule.formula_weight               513.543 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1vdn 
# 
_pdbx_reference_entity_list.prd_id          PRD_000424 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ACE-ALA-ALA-PRO-ALA-7-AMINO-4-METHYLCOUMARIN 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000424 1 1 C ACE 1 N ALA 2 sing 1 ? ? ? 
PRD_000424 1 2 C ALA 2 N ALA 3 sing 1 ? ? ? 
PRD_000424 1 3 C ALA 3 N PRO 4 sing 1 ? ? ? 
PRD_000424 1 4 C PRO 4 N ALA 5 sing 1 ? ? ? 
PRD_000424 1 5 C ALA 5 N MCM 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000424 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000424 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000424 1 1 ACE ?   N Y 
PRD_000424 1 2 ALA ALA N Y 
PRD_000424 1 3 ALA ALA N Y 
PRD_000424 1 4 PRO PRO N Y 
PRD_000424 1 5 ALA ALA N Y 
PRD_000424 1 6 MCM ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000424 2012-02-03 RCSB "Create molecule"    
PRD_000424 2012-07-09 PDBE "Other modification" 
PRD_000424 2012-12-12 RCSB "Initial release"    
PRD_000424 2013-06-03 RCSB "Other modification" 
PRD_000424 2020-07-29 RCSB "Other modification" 
PRD_000424 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000425
# 
_pdbx_reference_molecule.prd_id                       PRD_000425 
_pdbx_reference_molecule.name                         "Caspase-2 Inhibitor; Ac-VDVAD-Cho" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H39 N5 O10" 
_pdbx_reference_molecule.formula_weight               545.583 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2h65 
# 
_pdbx_reference_entity_list.prd_id          PRD_000425 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "INHIBITOR AC-VDVAD-CHO" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000425 1 1 C ACE 1 N VAL 2 sing 1 ? ? ? 
PRD_000425 1 2 C VAL 2 N ASP 3 sing 1 ? ? ? 
PRD_000425 1 3 C ASP 3 N VAL 4 sing 1 ? ? ? 
PRD_000425 1 4 C VAL 4 N ALA 5 sing 1 ? ? ? 
PRD_000425 1 5 C ALA 5 N ASJ 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000425 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000425 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000425 1 1 ACE ?   N Y 
PRD_000425 1 2 VAL VAL N Y 
PRD_000425 1 3 ASP ASP N Y 
PRD_000425 1 4 VAL VAL N Y 
PRD_000425 1 5 ALA ALA N Y 
PRD_000425 1 6 ASJ ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000425 2012-02-03 RCSB "Create molecule"    
PRD_000425 2012-07-09 PDBE "Other modification" 
PRD_000425 2012-12-12 RCSB "Initial release"    
PRD_000425 2013-06-03 RCSB "Other modification" 
PRD_000425 2020-07-29 RCSB "Other modification" 
PRD_000425 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000426
# 
_pdbx_reference_molecule.prd_id                       PRD_000426 
_pdbx_reference_molecule.name                         "BOC-GLU-LEU-FKI, PEPTIDE INHIBITOR" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H33 F2 N3 O9" 
_pdbx_reference_molecule.formula_weight               509.498 
_pdbx_reference_molecule.chem_comp_id                 2ZF 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1dxw 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000426 
_pdbx_reference_entity_subcomponents.seq            "BOC GLU LEU FKI" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2ZF 
# 
_pdbx_reference_entity_list.prd_id          PRD_000426 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000426 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000426 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000426 1 1 BOC .   N Y 
PRD_000426 1 2 GLU GLU N Y 
PRD_000426 1 3 LEU LEU N Y 
PRD_000426 1 4 FKI .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000426 1 1 1 C BOC 1 N GLU 2 SING ? ? ? 
PRD_000426 1 1 2 C GLU 2 N LEU 3 SING ? ? ? 
PRD_000426 1 1 3 C LEU 3 N FKI 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000426 2012-02-08 RCSB "Create molecule"    
PRD_000426 2012-05-01 RCSB "Other modification" 
PRD_000426 2012-07-09 PDBE "Other modification" 
PRD_000426 2012-12-12 RCSB "Initial release"    
PRD_000426 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000427
# 
_pdbx_reference_molecule.prd_id                       PRD_000427 
_pdbx_reference_molecule.name                         "FIV PROTEASE INHIBITOR LP-149; Ac-NA-Val-Sta-Glu-NA-NH2" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C46 H58 N6 O9" 
_pdbx_reference_molecule.formula_weight               838.988 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1fiv 
# 
_pdbx_reference_entity_list.prd_id          PRD_000427 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "FIV PROTEASE INHIBITOR LP-149" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000427 1 1 C ACE 1 N ALN 2 sing 1 ? ? ? 
PRD_000427 1 2 C ALN 2 N VAL 3 sing 1 ? ? ? 
PRD_000427 1 3 C VAL 3 N STA 4 sing 1 ? ? ? 
PRD_000427 1 4 C STA 4 N GLU 5 sing 1 ? ? ? 
PRD_000427 1 5 C GLU 5 N ALN 6 sing 1 ? ? ? 
PRD_000427 1 6 C ALN 6 N NH2 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000427 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000427 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000427 1 1 ACE ?   N Y 
PRD_000427 1 2 ALN ALA N Y 
PRD_000427 1 3 VAL VAL N Y 
PRD_000427 1 4 STA ?   N Y 
PRD_000427 1 5 GLU GLU N Y 
PRD_000427 1 6 ALN ALA N Y 
PRD_000427 1 7 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000427 2012-02-01 RCSB "Create molecule"    
PRD_000427 2012-07-09 PDBE "Other modification" 
PRD_000427 2012-12-12 RCSB "Initial release"    
PRD_000427 2013-06-03 RCSB "Other modification" 
PRD_000427 2020-07-29 RCSB "Other modification" 
PRD_000427 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000428
# 
_pdbx_reference_molecule.prd_id                       PRD_000428 
_pdbx_reference_molecule.name                         "CYCLOTHEONAMIDE A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H46 N9 O8" 
_pdbx_reference_molecule.formula_weight               732.806 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     PRD_000554 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1tmb 
# 
_pdbx_reference_entity_list.prd_id          PRD_000428 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "MACROCYCLIC PEPTIDE CYCLOTHEONAMIDE A" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000428 1 1 C 0MG 1 N DPN 2 sing 1 ? ? ? 
PRD_000428 1 2 N 0MG 1 C PRO 5 sing 1 ? ? ? 
PRD_000428 1 3 C DPN 2 N VLT 3 sing 1 ? ? ? 
PRD_000428 1 4 C VLT 3 N 0FL 4 sing 1 ? ? ? 
PRD_000428 1 5 C 0FL 4 N PRO 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000428 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00471 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000428 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000428 1 1 0MG ?   N Y 
PRD_000428 1 2 DPN PHE N Y 
PRD_000428 1 3 VLT TYR N Y 
PRD_000428 1 4 0FL ALA N Y 
PRD_000428 1 5 PRO PRO N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000428 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 73791 
_pdbx_reference_entity_src_nat.organism_scientific   "Theonella sp." 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00471 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000428 2012-02-03 RCSB "Create molecule"    
PRD_000428 2012-07-09 PDBE "Other modification" 
PRD_000428 2013-02-19 RCSB "Other modification" 
PRD_000428 2012-12-12 RCSB "Initial release"    
PRD_000428 2013-06-03 RCSB "Other modification" 
PRD_000428 2020-07-29 RCSB "Other modification" 
PRD_000428 2023-09-20 PDBE "Modify audit"       
PRD_000428 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000429
# 
_pdbx_reference_molecule.prd_id                       PRD_000429 
_pdbx_reference_molecule.name                         "(ACE)APQV(STA)VMHP peptide Inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C49 H81 N12 O13 S" 
_pdbx_reference_molecule.formula_weight               1078.305 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2b7f 
# 
_pdbx_reference_entity_list.prd_id          PRD_000429 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "(ACE)APQV(STA)VMHP PEPTIDE INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000429 1 1 C ACE 1 N ALA 2  sing 1 ? ? ? 
PRD_000429 1 2 C ALA 2 N PRO 3  sing 1 ? ? ? 
PRD_000429 1 3 C PRO 3 N GLN 4  sing 1 ? ? ? 
PRD_000429 1 4 C GLN 4 N VAL 5  sing 1 ? ? ? 
PRD_000429 1 5 C VAL 5 N STA 6  sing 1 ? ? ? 
PRD_000429 1 6 C STA 6 N VAL 7  sing 1 ? ? ? 
PRD_000429 1 7 C VAL 7 N MET 8  sing 1 ? ? ? 
PRD_000429 1 8 C MET 8 N HIS 9  sing 1 ? ? ? 
PRD_000429 1 9 C HIS 9 N PRO 10 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000429 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000429 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000429 1 1  ACE ?   N Y 
PRD_000429 1 2  ALA ALA N Y 
PRD_000429 1 3  PRO PRO N Y 
PRD_000429 1 4  GLN GLN N Y 
PRD_000429 1 5  VAL VAL N Y 
PRD_000429 1 6  STA ?   N Y 
PRD_000429 1 7  VAL VAL N Y 
PRD_000429 1 8  MET MET N Y 
PRD_000429 1 9  HIS HIS N Y 
PRD_000429 1 10 PRO PRO N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000429 2012-02-01 RCSB "Create molecule"    
PRD_000429 2012-07-09 PDBE "Other modification" 
PRD_000429 2012-12-12 RCSB "Initial release"    
PRD_000429 2013-06-03 RCSB "Other modification" 
PRD_000429 2020-07-29 RCSB "Other modification" 
PRD_000429 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000430
# 
_pdbx_reference_molecule.prd_id                       PRD_000430 
_pdbx_reference_molecule.name                         "H 189" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C62 H97 N17 O12" 
_pdbx_reference_molecule.formula_weight               1272.540 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3er5 
# 
_pdbx_reference_entity_list.prd_id          PRD_000430 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "inhibitor H-189" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000430 1 1 C PRO 1 N HIS 2  sing 1 ? ? ? 
PRD_000430 1 2 C HIS 2 N PRO 3  sing 1 ? ? ? 
PRD_000430 1 3 C PRO 3 N PHE 4  sing 1 ? ? ? 
PRD_000430 1 4 C PHE 4 N HIS 5  sing 1 ? ? ? 
PRD_000430 1 5 C HIS 5 N STA 6  sing 1 ? ? ? 
PRD_000430 1 6 C STA 6 N VAL 7  sing 1 ? ? ? 
PRD_000430 1 7 C VAL 7 N ILE 8  sing 1 ? ? ? 
PRD_000430 1 8 C ILE 8 N HIS 9  sing 1 ? ? ? 
PRD_000430 1 9 C HIS 9 N LYS 10 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000430 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000430 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000430 1 1  PRO PRO N Y 
PRD_000430 1 2  HIS HIS N Y 
PRD_000430 1 3  PRO PRO N Y 
PRD_000430 1 4  PHE PHE N Y 
PRD_000430 1 5  HIS HIS N Y 
PRD_000430 1 6  STA ?   N Y 
PRD_000430 1 7  VAL VAL N Y 
PRD_000430 1 8  ILE ILE N Y 
PRD_000430 1 9  HIS HIS N Y 
PRD_000430 1 10 LYS LYS N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000430 2012-02-01 RCSB "Create molecule"    
PRD_000430 2012-07-09 PDBE "Other modification" 
PRD_000430 2012-12-12 RCSB "Initial release"    
PRD_000430 2013-06-03 RCSB "Other modification" 
PRD_000430 2020-07-29 RCSB "Other modification" 
PRD_000430 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000431
# 
_pdbx_reference_molecule.prd_id                       PRD_000431 
_pdbx_reference_molecule.name                         "CASPASE-7 INHIBITOR AC-DMQD-CHO" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H33 N5 O10 S" 
_pdbx_reference_molecule.formula_weight               535.569 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2h5j 
# 
_pdbx_reference_entity_list.prd_id          PRD_000431 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "INHIBITOR AC-DMQD-CHO" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000431 1 1 C ACE 1 N ASP 2 sing 1 ? ? ? 
PRD_000431 1 2 C ASP 2 N MET 3 sing 1 ? ? ? 
PRD_000431 1 3 C MET 3 N GLN 4 sing 1 ? ? ? 
PRD_000431 1 4 C GLN 4 N ASJ 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000431 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000431 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000431 1 1 ACE ?   N Y 
PRD_000431 1 2 ASP ASP N Y 
PRD_000431 1 3 MET MET N Y 
PRD_000431 1 4 GLN GLN N Y 
PRD_000431 1 5 ASJ ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000431 2012-02-03 RCSB "Create molecule"    
PRD_000431 2012-07-09 PDBE "Other modification" 
PRD_000431 2012-12-12 RCSB "Initial release"    
PRD_000431 2013-06-03 RCSB "Other modification" 
PRD_000431 2020-07-29 RCSB "Other modification" 
PRD_000431 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000432
# 
_pdbx_reference_molecule.prd_id                       PRD_000432 
_pdbx_reference_molecule.name                         "Terlakiren inhibitor CP-80,794" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H48 N4 O7 S" 
_pdbx_reference_molecule.formula_weight               620.800 
_pdbx_reference_molecule.chem_comp_id                 2ZS 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1gvt 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000432 
_pdbx_reference_entity_subcomponents.seq            "MOR PHE SMC NOR" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2ZS 
# 
_pdbx_reference_entity_list.prd_id          PRD_000432 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000432 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000432 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000432 1 1 MOR .   N Y 
PRD_000432 1 2 PHE PHE N Y 
PRD_000432 1 3 SMC CYS N Y 
PRD_000432 1 4 NOR .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000432 1 1 1 C MOR 1 N PHE 2 SING ? ? ? 
PRD_000432 1 1 2 C PHE 2 N SMC 3 SING ? ? ? 
PRD_000432 1 1 3 C SMC 3 N NOR 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000432 2012-02-08 RCSB "Create molecule"    
PRD_000432 2012-05-01 RCSB "Other modification" 
PRD_000432 2012-07-09 PDBE "Other modification" 
PRD_000432 2012-12-12 RCSB "Initial release"    
PRD_000432 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000434
# 
_pdbx_reference_molecule.prd_id                       PRD_000434 
_pdbx_reference_molecule.name                         "N-[(benzyloxy)carbonyl]-L-alanyl-N-[(1R)-1-benzyl-2-oxoethyl]-L-valinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C50 H64 N6 O10" 
_pdbx_reference_molecule.formula_weight               909.077 
_pdbx_reference_molecule.chem_comp_id                 3TL 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3kfr 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000434 
_pdbx_reference_entity_subcomponents.seq            "PHQ ALA VAL PHL PHL VAL ALA PHQ" 
_pdbx_reference_entity_subcomponents.chem_comp_id   3TL 
# 
_pdbx_reference_entity_list.prd_id          PRD_000434 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000434 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000434 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000434 1 1 PHQ .   N Y 
PRD_000434 1 2 ALA ALA N Y 
PRD_000434 1 3 VAL VAL N Y 
PRD_000434 1 4 PHL PHE N Y 
PRD_000434 1 5 PHL PHE N Y 
PRD_000434 1 6 VAL VAL N Y 
PRD_000434 1 7 ALA ALA N Y 
PRD_000434 1 8 PHQ .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000434 1 1 1 C1 PHQ 1 N  ALA 2 SING ? ? ? 
PRD_000434 1 1 2 C  ALA 2 N  VAL 3 SING ? ? ? 
PRD_000434 1 1 3 C  VAL 3 N  PHL 4 SING ? ? ? 
PRD_000434 1 1 4 C  PHL 4 C  PHL 5 SING ? ? ? 
PRD_000434 1 1 5 N  PHL 5 C  VAL 6 SING ? ? ? 
PRD_000434 1 1 6 N  VAL 6 C  ALA 7 SING ? ? ? 
PRD_000434 1 1 7 N  ALA 7 C1 PHQ 8 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000434 2012-02-08 RCSB "Create molecule"    
PRD_000434 2012-05-01 RCSB "Other modification" 
PRD_000434 2012-07-09 PDBE "Other modification" 
PRD_000434 2012-12-12 RCSB "Initial release"    
PRD_000434 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000439
# 
_pdbx_reference_molecule.prd_id                       PRD_000439 
_pdbx_reference_molecule.name                         "aza-Leu epoxide inhibitor JCP598" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H48 N4 O8" 
_pdbx_reference_molecule.formula_weight               592.724 
_pdbx_reference_molecule.chem_comp_id                 AZ0 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3gcd 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000439 
_pdbx_reference_entity_subcomponents.seq            "PHQ LEU LEU A1X" 
_pdbx_reference_entity_subcomponents.chem_comp_id   AZ0 
# 
_pdbx_reference_entity_list.prd_id          PRD_000439 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000439 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000439 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000439 1 1 PHQ .   N Y 
PRD_000439 1 2 LEU LEU N Y 
PRD_000439 1 3 LEU LEU N Y 
PRD_000439 1 4 A1X .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000439 1 1 1 C1 PHQ 1 N   LEU 2 SING ? ? ? 
PRD_000439 1 1 2 C  LEU 2 N   LEU 3 SING ? ? ? 
PRD_000439 1 1 3 C  LEU 3 NAL A1X 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000439 2012-02-08 RCSB "Create molecule"    
PRD_000439 2012-05-01 RCSB "Other modification" 
PRD_000439 2012-07-09 PDBE "Other modification" 
PRD_000439 2012-12-12 RCSB "Initial release"    
PRD_000439 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000444
# 
_pdbx_reference_molecule.prd_id                       PRD_000444 
_pdbx_reference_molecule.name                         "NS-134 TWO HEADED EPOXYSUCCINYL INHIBITOR" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H41 N5 O10" 
_pdbx_reference_molecule.formula_weight               583.631 
_pdbx_reference_molecule.chem_comp_id                 EP2 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1sp4 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000444 
_pdbx_reference_entity_subcomponents.seq            "MEU GLY LEU EPO LEU PRO" 
_pdbx_reference_entity_subcomponents.chem_comp_id   EP2 
# 
_pdbx_reference_entity_list.prd_id          PRD_000444 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000444 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000444 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000444 1 1 MEU GLY N Y 
PRD_000444 1 2 GLY GLY N Y 
PRD_000444 1 3 LEU LEU N Y 
PRD_000444 1 4 EPO .   N Y 
PRD_000444 1 5 LEU LEU N Y 
PRD_000444 1 6 PRO PRO N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000444 1 1 1 N  MEU 1 C  GLY 2 SING ? ? ? 
PRD_000444 1 1 2 N  GLY 2 C  LEU 3 SING ? ? ? 
PRD_000444 1 1 3 N  LEU 3 C1 EPO 4 SING ? ? ? 
PRD_000444 1 1 4 C4 EPO 4 N  LEU 5 SING ? ? ? 
PRD_000444 1 1 5 C  LEU 5 N  PRO 6 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000444 2012-02-08 RCSB "Create molecule"    
PRD_000444 2012-05-01 RCSB "Other modification" 
PRD_000444 2012-07-09 PDBE "Other modification" 
PRD_000444 2012-12-12 RCSB "Initial release"    
PRD_000444 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000451
# 
_pdbx_reference_molecule.prd_id                       PRD_000451 
_pdbx_reference_molecule.name                         "N(alpha)-(2-naphthylsulfonylglycyl)-4-amidinophenylalanine piperidide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H31 N5 O4 S" 
_pdbx_reference_molecule.formula_weight               521.631 
_pdbx_reference_molecule.chem_comp_id                 MID 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1ppc 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000451 
_pdbx_reference_entity_subcomponents.seq            "NAS GLY APH PIP" 
_pdbx_reference_entity_subcomponents.chem_comp_id   MID 
# 
_pdbx_reference_entity_list.prd_id          PRD_000451 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000451 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000451 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000451 1 1 NAS .   N Y 
PRD_000451 1 2 GLY GLY N Y 
PRD_000451 1 3 APH ALA N Y 
PRD_000451 1 4 PIP .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000451 1 1 1 S NAS 1 N  GLY 2 SING ? ? ? 
PRD_000451 1 1 2 C GLY 2 N  APH 3 SING ? ? ? 
PRD_000451 1 1 3 C APH 3 N1 PIP 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000451 2012-02-08 RCSB "Create molecule"    
PRD_000451 2012-05-01 RCSB "Other modification" 
PRD_000451 2012-07-09 PDBE "Other modification" 
PRD_000451 2012-12-12 RCSB "Initial release"    
PRD_000451 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000452
# 
_pdbx_reference_molecule.prd_id                       PRD_000452 
_pdbx_reference_molecule.name                         Argatroban 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H37 N6 O5 S" 
_pdbx_reference_molecule.formula_weight               509.642 
_pdbx_reference_molecule.chem_comp_id                 MIT 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1etr 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000452 
_pdbx_reference_entity_subcomponents.seq            "34T ARG MCP" 
_pdbx_reference_entity_subcomponents.chem_comp_id   MIT 
# 
_pdbx_reference_entity_list.prd_id          PRD_000452 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000452 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000452 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000452 1 1 34T .   N Y 
PRD_000452 1 2 ARG ARG N Y 
PRD_000452 1 3 MCP .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000452 1 1 1 S 34T 1 N ARG 2 SING ? ? ? 
PRD_000452 1 1 2 C ARG 2 N MCP 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000452 2012-02-08 RCSB "Create molecule"    
PRD_000452 2012-05-01 RCSB "Other modification" 
PRD_000452 2012-07-09 PDBE "Other modification" 
PRD_000452 2012-12-12 RCSB "Initial release"    
PRD_000452 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000453
# 
_pdbx_reference_molecule.prd_id                       PRD_000453 
_pdbx_reference_molecule.name                         "N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl-L-alanyl-L-alaninamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H24 N6 O4" 
_pdbx_reference_molecule.formula_weight               388.421 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3exb 
# 
_pdbx_reference_entity_list.prd_id          PRD_000453 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "N-[3-(1H-BENZIMIDAZOL-1-YL)PROPANOYL]GLYCYL-L-ALANYL-L-ALANINAMIDE" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000453 1 1 C12 EXB 1 N GLY 2 sing 1 ? ? ? 
PRD_000453 1 2 C   GLY 2 N ALA 3 sing 1 ? ? ? 
PRD_000453 1 3 C   ALA 3 N ALA 4 sing 1 ? ? ? 
PRD_000453 1 4 C   ALA 4 N NH2 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000453 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000453 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000453 1 1 EXB ?   N Y 
PRD_000453 1 2 GLY GLY N Y 
PRD_000453 1 3 ALA ALA N Y 
PRD_000453 1 4 ALA ALA N Y 
PRD_000453 1 5 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000453 2012-02-01 RCSB "Create molecule"    
PRD_000453 2012-07-09 PDBE "Other modification" 
PRD_000453 2012-12-12 RCSB "Initial release"    
PRD_000453 2013-06-03 RCSB "Other modification" 
PRD_000453 2020-07-29 RCSB "Other modification" 
PRD_000453 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000454
# 
_pdbx_reference_molecule.prd_id                       PRD_000454 
_pdbx_reference_molecule.name                         Saquinavir 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C38 H50 N6 O5" 
_pdbx_reference_molecule.formula_weight               670.841 
_pdbx_reference_molecule.chem_comp_id                 ROC 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1hxb 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000454 
_pdbx_reference_entity_subcomponents.seq            "QNC ASN HP0 NTB" 
_pdbx_reference_entity_subcomponents.chem_comp_id   ROC 
# 
_pdbx_reference_entity_list.prd_id          PRD_000454 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000454 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000454 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000454 1 1 QNC .   N Y 
PRD_000454 1 2 ASN ASN N Y 
PRD_000454 1 3 HP0 .   N Y 
PRD_000454 1 4 NTB .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000454 1 1 1 C QNC 1 N ASN 2 SING ? ? ? 
PRD_000454 1 1 2 C ASN 2 N HP0 3 SING ? ? ? 
PRD_000454 1 1 3 C HP0 3 N NTB 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000454 2012-02-08 RCSB "Create molecule"    
PRD_000454 2012-05-01 RCSB "Other modification" 
PRD_000454 2012-07-09 PDBE "Other modification" 
PRD_000454 2012-12-12 RCSB "Initial release"    
PRD_000454 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000456
# 
_pdbx_reference_molecule.prd_id                       PRD_000456 
_pdbx_reference_molecule.name                         ACE-ALC-ARG-ALA-ODA-SER-LEU-NH2 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C39 H67 N12 O10" 
_pdbx_reference_molecule.formula_weight               864.024 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1d5z 
# 
_pdbx_reference_entity_list.prd_id          PRD_000456 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDOMIMETIC INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000456 1 1 C ACE 1 N ALC 2 sing 1 ? ? ? 
PRD_000456 1 2 C ALC 2 N ARG 3 sing 1 ? ? ? 
PRD_000456 1 3 C ARG 3 N ALA 4 sing 1 ? ? ? 
PRD_000456 1 4 C ALA 4 N ODA 5 sing 1 ? ? ? 
PRD_000456 1 5 C ODA 5 N SER 6 sing 1 ? ? ? 
PRD_000456 1 6 C SER 6 N LEU 7 sing 1 ? ? ? 
PRD_000456 1 7 C LEU 7 N NH2 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000456 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000456 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000456 1 1 ACE ?   N Y 
PRD_000456 1 2 ALC ?   N Y 
PRD_000456 1 3 ARG ARG N Y 
PRD_000456 1 4 ALA ALA N Y 
PRD_000456 1 5 ODA ?   N Y 
PRD_000456 1 6 SER SER N Y 
PRD_000456 1 7 LEU LEU N Y 
PRD_000456 1 8 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000456 2012-02-01 RCSB "Create molecule"    
PRD_000456 2012-07-09 PDBE "Other modification" 
PRD_000456 2012-07-31 RCSB "Other modification" 
PRD_000456 2012-12-12 RCSB "Initial release"    
PRD_000456 2013-06-03 RCSB "Other modification" 
PRD_000456 2020-07-29 RCSB "Other modification" 
PRD_000456 2023-09-20 PDBE "Modify audit"       
PRD_000456 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000457
# 
_pdbx_reference_molecule.prd_id                       PRD_000457 
_pdbx_reference_molecule.name                         "INHIBITOR CH2-QLTSNV-Z (SUBSTRATE-ANALOG)" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H55 Cl N8 O12" 
_pdbx_reference_molecule.formula_weight               827.321 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1p9u 
# 
_pdbx_reference_entity_list.prd_id          PRD_000457 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PHQ-VNSTLQ-CHLOROMETHYLKETONE INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000457 1 1 C1 PHQ 1 N  VAL 2 sing 1 ? ? ? 
PRD_000457 1 2 C  VAL 2 N  ASN 3 sing 1 ? ? ? 
PRD_000457 1 3 C  ASN 3 N  SER 4 sing 1 ? ? ? 
PRD_000457 1 4 C  SER 4 N  THR 5 sing 1 ? ? ? 
PRD_000457 1 5 C  THR 5 N  LEU 6 sing 1 ? ? ? 
PRD_000457 1 6 C  LEU 6 N  GLN 7 sing 1 ? ? ? 
PRD_000457 1 7 C  GLN 7 C1 0QE 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000457 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000457 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000457 1 1 PHQ ?   N N 
PRD_000457 1 2 VAL VAL N Y 
PRD_000457 1 3 ASN ASN N Y 
PRD_000457 1 4 SER SER N Y 
PRD_000457 1 5 THR THR N Y 
PRD_000457 1 6 LEU LEU N Y 
PRD_000457 1 7 GLN GLN N Y 
PRD_000457 1 8 0QE ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000457 2012-04-30 RCSB "Create molecule"    
PRD_000457 2012-07-09 PDBE "Other modification" 
PRD_000457 2012-12-12 RCSB "Initial release"    
PRD_000457 2013-06-03 RCSB "Other modification" 
PRD_000457 2020-07-29 RCSB "Other modification" 
PRD_000457 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000459
# 
_pdbx_reference_molecule.prd_id                       PRD_000459 
_pdbx_reference_molecule.name                         "Tosyl-L-lysine chloromethyl ketone" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C14 H21 Cl N2 O3 S" 
_pdbx_reference_molecule.formula_weight               332.846 
_pdbx_reference_molecule.chem_comp_id                 TCK 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4pad 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000459 
_pdbx_reference_entity_subcomponents.seq            "TSU LYS 0QE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   TCK 
# 
_pdbx_reference_entity_list.prd_id          PRD_000459 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000459 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000459 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000459 1 1 TSU .   N Y 
PRD_000459 1 2 LYS LYS N Y 
PRD_000459 1 3 0QE .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000459 1 1 1 S TSU 1 N  LYS 2 SING ? ? ? 
PRD_000459 1 1 2 C LYS 2 C1 0QE 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000459 2012-02-08 RCSB "Create molecule"    
PRD_000459 2012-05-01 RCSB "Other modification" 
PRD_000459 2012-07-09 PDBE "Other modification" 
PRD_000459 2012-12-12 RCSB "Initial release"    
PRD_000459 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000464
# 
_pdbx_reference_molecule.prd_id                       PRD_000464 
_pdbx_reference_molecule.name                         Argadin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H41 N10 O9" 
_pdbx_reference_molecule.formula_weight               673.697 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1waw 
# 
_pdbx_reference_entity_list.prd_id          PRD_000464 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 5" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000464 1 1 C  0AR 1 N DPR 2 sing 1 ? ? ? 
PRD_000464 1 2 N  0AR 1 C UN1 5 sing 1 ? ? ? 
PRD_000464 1 3 C  DPR 2 N HSE 3 sing 1 ? ? ? 
PRD_000464 1 4 C  HSE 3 N HIS 4 sing 1 ? ? ? 
PRD_000464 1 5 C4 HSE 3 N HIS 4 sing 1 ? ? ? 
PRD_000464 1 6 C  HIS 4 N UN1 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000464 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000464 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000464 1 1 0AR ARG N Y 
PRD_000464 1 2 DPR PRO N Y 
PRD_000464 1 3 HSE HSE N Y 
PRD_000464 1 4 HIS HIS N Y 
PRD_000464 1 5 UN1 ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000464 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 160268 
_pdbx_reference_entity_src_nat.organism_scientific   "Clonostachys sp. FO-7314" 
_pdbx_reference_entity_src_nat.source                PubMed 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000464 2012-02-08 RCSB "Create molecule"    
PRD_000464 2012-07-09 PDBE "Other modification" 
PRD_000464 2012-12-12 RCSB "Initial release"    
PRD_000464 2015-07-24 PDBE "Other modification" 
PRD_000464 2020-07-29 RCSB "Other modification" 
PRD_000464 2023-09-20 PDBE "Modify audit"       
PRD_000464 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000465
# 
_pdbx_reference_molecule.prd_id                       PRD_000465 
_pdbx_reference_molecule.name                         Argifin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H41 N9 O10" 
_pdbx_reference_molecule.formula_weight               675.690 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1wb0 
# 
_pdbx_reference_entity_list.prd_id          PRD_000465 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 5" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000465 1 1 C  VR0 1 N MEA 2 sing 1 ? ? ? 
PRD_000465 1 2 N  VR0 1 C DAL 5 sing 1 ? ? ? 
PRD_000465 1 3 C  MEA 2 N IAS 3 sing 1 ? ? ? 
PRD_000465 1 4 CG IAS 3 N IAS 4 sing 1 ? ? ? 
PRD_000465 1 5 CG IAS 4 N DAL 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000465 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000465 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000465 1 1 VR0 ARG N Y 
PRD_000465 1 2 MEA PHE N Y 
PRD_000465 1 3 IAS ASP N Y 
PRD_000465 1 4 IAS ASP N Y 
PRD_000465 1 5 DAL ALA N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000465 1 1 62887 GLIOCLADIUM                PubMed ? ? ? 
PRD_000465 1 2 62887 "Gliocladium sp. FTD-0668" PubMed ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000465 2012-02-08 RCSB "Create molecule"    
PRD_000465 2012-07-09 PDBE "Other modification" 
PRD_000465 2012-12-12 RCSB "Initial release"    
PRD_000465 2020-07-29 RCSB "Other modification" 
PRD_000465 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000466
# 
_pdbx_reference_molecule.prd_id                       PRD_000466 
_pdbx_reference_molecule.name                         "Synthetic intermediate of ARGIFIN" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H30 N6 O5" 
_pdbx_reference_molecule.formula_weight               434.489 
_pdbx_reference_molecule.chem_comp_id                 WRG 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3chd 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000466 
_pdbx_reference_entity_subcomponents.seq            "ACE VR0 MEA" 
_pdbx_reference_entity_subcomponents.chem_comp_id   WRG 
# 
_pdbx_reference_entity_list.prd_id          PRD_000466 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000466 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000466 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000466 1 1 ACE .   N Y 
PRD_000466 1 2 VR0 .   N Y 
PRD_000466 1 3 MEA PHE N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000466 1 1 1 C ACE 1 N VR0 2 SING ? ? ? 
PRD_000466 1 1 2 C VR0 2 N MEA 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000466 2012-02-08 RCSB "Create molecule"    
PRD_000466 2012-05-01 RCSB "Other modification" 
PRD_000466 2012-12-12 RCSB "Initial release"    
# 
data_PRD_000468
# 
_pdbx_reference_molecule.prd_id                       PRD_000468 
_pdbx_reference_molecule.name                         Allosamidin 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H42 N4 O14" 
_pdbx_reference_molecule.formula_weight               622.619 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1LLO 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000468 1 1 branched    .   
PRD_000468 2 2 non-polymer AMI 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000468 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            ALLOSAMIZOLINE 
_pdbx_reference_entity_nonpoly.chem_comp_id    AMI 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_link.prd_id              PRD_000468 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    1 
_pdbx_reference_entity_link.comp_id_1           NAA 
_pdbx_reference_entity_link.atom_id_1           C1 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    . 
_pdbx_reference_entity_link.comp_id_2           AMI 
_pdbx_reference_entity_link.atom_id_2           O4 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             . 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_000468 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          NAA 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          NAA 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        sing 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000468 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000468 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000468 1 1 NAA . N Y 
PRD_000468 1 2 NAA . N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000468 1 1 1931   "Streptomyces sp."        PubMed ? ? ? 
PRD_000468 1 2 222559 "Streptomyces sp. AJ9463" PubMed ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000468 2012-02-08 RCSB "Create molecule"    
PRD_000468 2012-07-09 PDBE "Other modification" 
PRD_000468 2013-05-01 RCSB "Modify audit"       
PRD_000468 2015-07-18 RCSB "Initial release"    
PRD_000468 2022-03-03 RCSB "Other modification" 
# 
data_PRD_000480
# 
_pdbx_reference_molecule.prd_id                       PRD_000480 
_pdbx_reference_molecule.name                         "HIRUDIN ANALOGUE" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Anticoagulant, Antithrombotic" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C68 H95 N11 O26 S" 
_pdbx_reference_molecule.formula_weight               1514.605 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  DECAPEPTIDE 
_pdbx_reference_molecule.representative_PDB_id_code   1nzq 
# 
_pdbx_reference_entity_list.prd_id          PRD_000480 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "DECAPEPTIDE HIRUDIN ANALOGUE" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000480 1 1  C4 SIN 1  N TYR 2  sing 1 ? ? ? 
PRD_000480 1 2  C  TYR 2  N GLU 3  sing 1 ? ? ? 
PRD_000480 1 3  C  GLU 3  N PRO 4  sing 1 ? ? ? 
PRD_000480 1 4  C  PRO 4  N ILE 5  sing 1 ? ? ? 
PRD_000480 1 5  C  ILE 5  N HYP 6  sing 1 ? ? ? 
PRD_000480 1 6  C  HYP 6  N GLU 7  sing 1 ? ? ? 
PRD_000480 1 7  C  GLU 7  N GLU 8  sing 1 ? ? ? 
PRD_000480 1 8  C  GLU 8  N SMF 9  sing 1 ? ? ? 
PRD_000480 1 9  C  SMF 9  N ALC 10 sing 1 ? ? ? 
PRD_000480 1 10 C  ALC 10 N GLN 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000480 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000480 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000480 1 1  SIN ?   N Y 
PRD_000480 1 2  TYR TYR N Y 
PRD_000480 1 3  GLU GLU N Y 
PRD_000480 1 4  PRO PRO N Y 
PRD_000480 1 5  ILE ILE N Y 
PRD_000480 1 6  HYP PRO N Y 
PRD_000480 1 7  GLU GLU N Y 
PRD_000480 1 8  GLU GLU N Y 
PRD_000480 1 9  SMF PHE N Y 
PRD_000480 1 10 ALC ?   N Y 
PRD_000480 1 11 GLN GLN N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000480 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 ? 
_pdbx_reference_entity_src_nat.organism_scientific   Synthetic 
_pdbx_reference_entity_src_nat.source                PubMed 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000480 2012-02-08 RCSB "Create molecule"    
PRD_000480 2012-07-09 PDBE "Other modification" 
PRD_000480 2012-07-31 RCSB "Other modification" 
PRD_000480 2012-11-28 RCSB "Modify class"       
PRD_000480 2012-12-12 RCSB "Initial release"    
PRD_000480 2013-06-03 RCSB "Other modification" 
PRD_000480 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000481
# 
_pdbx_reference_molecule.prd_id                       PRD_000481 
_pdbx_reference_molecule.name                         
;N-terminal Asp des-amino Hirudin-3A'
;
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Anticoagulant, Antithrombotic" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C64 H89 N11 O24" 
_pdbx_reference_molecule.formula_weight               1396.451 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2cn0 
# 
_pdbx_reference_entity_list.prd_id          PRD_000481 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "HIRUDIN IIA" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000481 1 1  C4 SIN 1  N PHE 2  sing 1 ? ? ? 
PRD_000481 1 2  C  PHE 2  N GLU 3  sing 1 ? ? ? 
PRD_000481 1 3  C  GLU 3  N GLU 4  sing 1 ? ? ? 
PRD_000481 1 4  C  GLU 4  N ILE 5  sing 1 ? ? ? 
PRD_000481 1 5  C  ILE 5  N PRO 6  sing 1 ? ? ? 
PRD_000481 1 6  C  PRO 6  N GLU 7  sing 1 ? ? ? 
PRD_000481 1 7  C  GLU 7  N GLU 8  sing 1 ? ? ? 
PRD_000481 1 8  C  GLU 8  N TYR 9  sing 1 ? ? ? 
PRD_000481 1 9  C  TYR 9  N LEU 10 sing 1 ? ? ? 
PRD_000481 1 10 C  LEU 10 N GLN 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000481 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         P28503 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000481 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000481 1 1  SIN ?   N Y 
PRD_000481 1 2  PHE PHE N Y 
PRD_000481 1 3  GLU GLU N Y 
PRD_000481 1 4  GLU GLU N Y 
PRD_000481 1 5  ILE ILE N Y 
PRD_000481 1 6  PRO PRO N Y 
PRD_000481 1 7  GLU GLU N N 
PRD_000481 1 8  GLU GLU N N 
PRD_000481 1 9  TYR TYR N N 
PRD_000481 1 10 LEU LEU N N 
PRD_000481 1 11 GLN GLN N N 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000481 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 6421 
_pdbx_reference_entity_src_nat.organism_scientific   "Hirudo medicinalis" 
_pdbx_reference_entity_src_nat.source                PubMed 
_pdbx_reference_entity_src_nat.db_code               P28508 
_pdbx_reference_entity_src_nat.db_name               UniProt 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000481 2012-02-08 RCSB "Create molecule"    
PRD_000481 2012-07-09 PDBE "Other modification" 
PRD_000481 2012-11-28 RCSB "Modify class"       
PRD_000481 2012-12-12 RCSB "Initial release"    
PRD_000481 2013-06-03 RCSB "Other modification" 
PRD_000481 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000482
# 
_pdbx_reference_molecule.prd_id                       PRD_000482 
_pdbx_reference_molecule.name                         YM-254890 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic depsipeptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C46 H69 N7 O15" 
_pdbx_reference_molecule.formula_weight               960.078 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3ah8 
# 
_pdbx_reference_entity_list.prd_id          PRD_000482 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 9" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000482 1 1 C ACE 1 N   HL2 2 sing 1 ? ? ? 
PRD_000482 1 2 C HL2 2 OH  HL2 3 sing 1 ? ? ? 
PRD_000482 1 3 C HL2 3 N   OTH 4 sing 1 ? ? ? 
PRD_000482 1 4 N HL2 3 C   MAA 9 sing 1 ? ? ? 
PRD_000482 1 5 C OTH 4 OG1 THC 5 sing 1 ? ? ? 
PRD_000482 1 6 C THC 5 OA  HF2 6 sing 1 ? ? ? 
PRD_000482 1 7 C HF2 6 N   DAM 7 sing 1 ? ? ? 
PRD_000482 1 8 C DAM 7 N   ALA 8 sing 1 ? ? ? 
PRD_000482 1 9 C ALA 8 N   MAA 9 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000482 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000482 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000482 1 1 ACE ?   N Y 
PRD_000482 1 2 HL2 LEU N Y 
PRD_000482 1 3 HL2 LEU N Y 
PRD_000482 1 4 OTH THR N Y 
PRD_000482 1 5 THC THR N Y 
PRD_000482 1 6 HF2 PHE N Y 
PRD_000482 1 7 DAM ALA N Y 
PRD_000482 1 8 ALA ALA N Y 
PRD_000482 1 9 MAA ALA N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000482 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 306190 
_pdbx_reference_entity_src_nat.organism_scientific   "Chromobacterium sp. QS3666" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               560109 
_pdbx_reference_entity_src_nat.db_name               NADB 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000482 2012-02-03 RCSB "Create molecule"    
PRD_000482 2012-07-09 PDBE "Other modification" 
PRD_000482 2012-12-12 RCSB "Initial release"    
PRD_000482 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000483
# 
_pdbx_reference_molecule.prd_id                       PRD_000483 
_pdbx_reference_molecule.name                         "Bacillomycin Lc" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C47 H74 N10 O16" 
_pdbx_reference_molecule.formula_weight               1035.148 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;BACILLOMYCIN LC IS A CYCLIC HEPTA-LIPOPETIDE.
HERE, BACILLOMYCIN IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;BACILLOMYCIN LC IS A CYCLIC HEPTA-LIPOPETIDE
WITH 7 AMINO-ACIDS OF CONFIGURATION LDDLLDL AND
ONE D-BETA-AMINO CARBOXYLIC ACID.
THE FATTY ACID IS LINKED VIA A PEPTID BOND
TO BOTH RESIDUES 2 AND 8.
;
_pdbx_reference_molecule.representative_PDB_id_code   2igz 
# 
_pdbx_reference_entity_list.prd_id          PRD_000483 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "STEROL-DEPENDENT ANTIFUNGAL ANTIBIOTIC BACILLOMYCIN LC, PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 8" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000483 1 1 N AFC 1 C THR 8 sing 1 ? ? ? 
PRD_000483 1 2 C AFC 1 N ASN 2 sing 1 ? ? ? 
PRD_000483 1 3 C ASN 2 N DTY 3 sing 1 ? ? ? 
PRD_000483 1 4 C DTY 3 N DSG 4 sing 1 ? ? ? 
PRD_000483 1 5 C DSG 4 N SER 5 sing 1 ? ? ? 
PRD_000483 1 6 C SER 5 N GLU 6 sing 1 ? ? ? 
PRD_000483 1 7 C GLU 6 N DSN 7 sing 1 ? ? ? 
PRD_000483 1 8 C DSN 7 N THR 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000483 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00781 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000483 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000483 1 1 AFC ?   N Y 
PRD_000483 1 2 ASN ASN N Y 
PRD_000483 1 3 DTY TYR N Y 
PRD_000483 1 4 DSG ASP N Y 
PRD_000483 1 5 SER SER N Y 
PRD_000483 1 6 GLU GLU N Y 
PRD_000483 1 7 DSN SER N Y 
PRD_000483 1 8 THR THR N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000483 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1423 
_pdbx_reference_entity_src_nat.organism_scientific   "Bacillus subtilis" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00781 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000483 2012-02-03 RCSB "Create molecule"    
PRD_000483 2012-07-09 PDBE "Other modification" 
PRD_000483 2012-12-12 RCSB "Initial release"    
PRD_000483 2013-06-03 RCSB "Other modification" 
PRD_000483 2017-05-04 RCSB "Other modification" 
PRD_000483 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000484
# 
_pdbx_reference_molecule.prd_id                       PRD_000484 
_pdbx_reference_molecule.name                         Balhimycin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Glycopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Antibiotic, Antimicrobial" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C66 H75 Cl2 N9 O25" 
_pdbx_reference_molecule.formula_weight               1465.253 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;BALHIMYCIN IS A TRICYCLIC GLYCOPEPTIDE. THE SCAFFOLD IS A HEPTAPEPTIDE WITH THE CONFIGURATION D-D-L-D-D-L-L. IT IS
FURTHER GLYCOSYLATED BY TWO MONOSACCHARIDES: A D-GLUCOSE AND A 4-OXO-VANCOSAMINE. HERE, BALHIMYCIN IS REPRESENTED
GROUPING TOGETHER THE SEQUENCE (SEQRES) AND TWO LIGANDS (HET) DVC AND BGC
;
_pdbx_reference_molecule.description                  
;BALHIMYCIN IS A TRICYCLIC HEPTAPEPTIDE GLYCOSYLATED BY D-GLUCOSE (RESIDUE 8) ON RESIDUE 4 AND BY 4-OXO-VANCOSAMINE
(RESIDUE 9) ON RESIDUE 6.
;
_pdbx_reference_molecule.representative_PDB_id_code   1go6 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000484 1 1 polymer     "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 7" 
PRD_000484 2 2 non-polymer "SUGAR RESIDUE"                         
PRD_000484 3 3 non-polymer "SUGAR RESIDUE"                         
# 
loop_
_pdbx_reference_entity_nonpoly.prd_id 
_pdbx_reference_entity_nonpoly.ref_entity_id 
_pdbx_reference_entity_nonpoly.name 
_pdbx_reference_entity_nonpoly.chem_comp_id 
_pdbx_reference_entity_nonpoly.details 
PRD_000484 2 BETA-D-GLUCOSE                                       BGC ? 
PRD_000484 3 "(2R,4S,6S)-4-AZANYL-4,6-DIMETHYL-OXANE-2,5,5-TRIOL" DVC ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000484 1 PN 1 4 GHP O4  2 ? BGC C1 sing 1 2 ? ? ? 
PRD_000484 2 PN 1 6 OMY ODE 3 ? DVC C1 sing 1 3 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000484 1 1 C  MLU 1 N   OMZ 2 sing 1 ? ? ? 
PRD_000484 1 2 C  OMZ 2 N   ASN 3 sing 1 ? ? ? 
PRD_000484 1 3 OH OMZ 2 C3  GHP 4 sing 1 ? ? ? 
PRD_000484 1 4 C  ASN 3 N   GHP 4 sing 1 ? ? ? 
PRD_000484 1 5 C5 GHP 4 OCZ OMY 6 sing 1 ? ? ? 
PRD_000484 1 6 C  GHP 4 N   GHP 5 sing 1 ? ? ? 
PRD_000484 1 7 C  GHP 5 N   OMY 6 sing 1 ? ? ? 
PRD_000484 1 8 C5 GHP 5 CG1 3FG 7 sing 1 ? ? ? 
PRD_000484 1 9 C  OMY 6 N   3FG 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000484 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00709 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000484 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000484 1 1 MLU LEU N Y 
PRD_000484 1 2 OMZ TYR N Y 
PRD_000484 1 3 ASN ASN N Y 
PRD_000484 1 4 GHP PHE N Y 
PRD_000484 1 5 GHP PHE N Y 
PRD_000484 1 6 OMY TYR N Y 
PRD_000484 1 7 3FG PHE N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000484 1 1 37632  "Amycolatopsis sp. STRAIN: Y-86, 21022" ? NOR00709 Norine ? 
PRD_000484 1 2 37632  "Amycolatopsis sp. T-86,21022"          ? 470056   NADB   ? 
PRD_000484 1 3 33910  "Amycolatopsis mediterranei"            ? NOR00685 Norine ? 
PRD_000484 1 4 208443 "Amycolatopsis balhimycina"             ? NOR00685 Norine ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000484 2012-02-03 RCSB "Create molecule"    
PRD_000484 2012-07-09 PDBE "Other modification" 
PRD_000484 2012-11-28 RCSB "Modify class"       
PRD_000484 2012-12-12 RCSB "Initial release"    
PRD_000484 2013-06-03 RCSB "Other modification" 
PRD_000484 2017-05-04 RCSB "Other modification" 
PRD_000484 2020-07-29 RCSB "Other modification" 
PRD_000484 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000485
# 
_pdbx_reference_molecule.prd_id                       PRD_000485 
_pdbx_reference_molecule.name                         Deglucobalhimycin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Glycopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Antibiotic, Antimicrobial" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C60 H65 Cl2 N9 O20" 
_pdbx_reference_molecule.formula_weight               1303.1124 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;BALHIMYCIN IS A TRICYCLIC GLYCOPEPTIDE. THE SCAFFOLD IS A HEPTAPEPTIDE WITH THE CONFIGURATION D-D-L-D-D-L-L. IT IS
FURTHER GLYCOSYLATED BY A MONOSACCHARIDES: (2R,4S,6S)-4-AZANYL-4,6-DIMETHYL-OXANE-2,5,5-TRIOL HERE, DEGLUCOBALHIMYCIN IS
REPRESENTED GROUPING TOGETHER THE SEQUENCE (SEQRES) AND ONE LIGAND (HET) DVC.
;
_pdbx_reference_molecule.description                  
;DEGLUCOBALHIMYCIN LACKS THE D-GLUCOSE COMPONENT OF BALHIMYCIN CONSISTING OF THE TRICYCLIC HEPTAPEPTIDE AND
(2R,4S,6S)-4-AZANYL-4,6-DIMETHYL-OXANE-2,5,5-TRIOL ONLY LINKED TO RESIDUE 6.
;
_pdbx_reference_molecule.representative_PDB_id_code   1hhy 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000485 1 1 polymer     "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 7" 
PRD_000485 2 2 non-polymer "SUGAR RESIDUE"                         
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000485 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "(2R,4S,6S)-4-AZANYL-4,6-DIMETHYL-OXANE-2,5,5-TRIOL" 
_pdbx_reference_entity_nonpoly.chem_comp_id    DVC 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_link.prd_id              PRD_000485 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    6 
_pdbx_reference_entity_link.comp_id_1           OMY 
_pdbx_reference_entity_link.atom_id_1           ODE 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    ? 
_pdbx_reference_entity_link.comp_id_2           DVC 
_pdbx_reference_entity_link.atom_id_2           C1 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             ? 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000485 1 1 C  MLU 1 N   OMZ 2 sing 1 ? ? ? 
PRD_000485 1 2 C  OMZ 2 N   ASN 3 sing 1 ? ? ? 
PRD_000485 1 3 OH OMZ 2 C3  GHP 4 sing 1 ? ? ? 
PRD_000485 1 4 C  ASN 3 N   GHP 4 sing 1 ? ? ? 
PRD_000485 1 5 C  GHP 4 N   GHP 5 sing 1 ? ? ? 
PRD_000485 1 6 C5 GHP 4 OCZ OMY 6 sing 1 ? ? ? 
PRD_000485 1 7 C  GHP 5 N   OMY 6 sing 1 ? ? ? 
PRD_000485 1 8 C5 GHP 5 CG1 3FG 7 sing 1 ? ? ? 
PRD_000485 1 9 C  OMY 6 N   3FG 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000485 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00707 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000485 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000485 1 1 MLU LEU N Y 
PRD_000485 1 2 OMZ TYR N Y 
PRD_000485 1 3 ASN ASN N Y 
PRD_000485 1 4 GHP PHE N Y 
PRD_000485 1 5 GHP PHE N Y 
PRD_000485 1 6 OMY TYR N Y 
PRD_000485 1 7 3FG PHE N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000485 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 37632 
_pdbx_reference_entity_src_nat.organism_scientific   "Amycolatopsis sp." 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00707 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000485 2012-02-01 RCSB "Create molecule"    
PRD_000485 2012-07-09 PDBE "Other modification" 
PRD_000485 2012-11-28 RCSB "Modify class"       
PRD_000485 2012-12-12 RCSB "Initial release"    
PRD_000485 2013-06-03 RCSB "Other modification" 
PRD_000485 2017-05-04 RCSB "Other modification" 
PRD_000485 2020-07-29 RCSB "Other modification" 
PRD_000485 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000487
# 
_pdbx_reference_molecule.prd_id                       PRD_000487 
_pdbx_reference_molecule.name                         Tsushimycin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Lipopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C59 H93 N13 O20" 
_pdbx_reference_molecule.formula_weight               1304.65 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;TSUSHIMYCIN IS A CYCLIC DODEDECAMER LIPOPETIDE.
HERE, TSUSHIMYCIN IS REPRESENTED BY GROUPING TOGETHER THE SEQUENCE
(SEQRES) AND ONE LIGAND (HET) LNG.
;
_pdbx_reference_molecule.description                  
;TSUSHIMYCIN IS A CYCLIC LIPOPEPTIDE.
THE SCAFFOLD IS MADE OF TWO PARTS:
(1) ASP1 N-TERM EXOCYCLIC PART
(2) A DECAPEPTIDE RING. RESIDUE 2 AND 11 FORM
A PEPTIDE BOND.
A TETRADECENOIC FATTY ACID  IS LINKED TO THE
RESIDUE 1
;
_pdbx_reference_molecule.representative_PDB_id_code   1w3m 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000487 1 1 polymer     "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 11" 
PRD_000487 2 2 non-polymer "FATTY ACID RESIDUE"                     
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000487 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "DELTA-3ISOTETRADECENOIC ACID" 
_pdbx_reference_entity_nonpoly.chem_comp_id    LNG 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_link.prd_id              PRD_000487 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    1 
_pdbx_reference_entity_link.comp_id_1           ASP 
_pdbx_reference_entity_link.atom_id_1           N 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    ? 
_pdbx_reference_entity_link.comp_id_2           LNG 
_pdbx_reference_entity_link.atom_id_2           C1 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             ? 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000487 1 1  C   ASP 1  N VLL 2  sing 1 ? ? ? 
PRD_000487 1 2  C   VLL 2  N CPI 3  sing 1 ? ? ? 
PRD_000487 1 3  NG2 VLL 2  C PRO 11 sing 1 ? ? ? 
PRD_000487 1 4  C   CPI 3  N 2AS 4  sing 1 ? ? ? 
PRD_000487 1 5  C   2AS 4  N ASP 5  sing 1 ? ? ? 
PRD_000487 1 6  C   ASP 5  N GLY 6  sing 1 ? ? ? 
PRD_000487 1 7  C   GLY 6  N ASP 7  sing 1 ? ? ? 
PRD_000487 1 8  C   ASP 7  N GLY 8  sing 1 ? ? ? 
PRD_000487 1 9  C   GLY 8  N VDL 9  sing 1 ? ? ? 
PRD_000487 1 10 C   VDL 9  N VAL 10 sing 1 ? ? ? 
PRD_000487 1 11 C   VAL 10 N PRO 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000487 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00763 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000487 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000487 1 1  ASP ASP N Y 
PRD_000487 1 2  VLL THR N Y 
PRD_000487 1 3  CPI ?   N Y 
PRD_000487 1 4  2AS ASP N Y 
PRD_000487 1 5  ASP ASP N Y 
PRD_000487 1 6  GLY GLY N Y 
PRD_000487 1 7  ASP ASP N Y 
PRD_000487 1 8  GLY GLY N Y 
PRD_000487 1 9  VDL THR N Y 
PRD_000487 1 10 VAL VAL N Y 
PRD_000487 1 11 PRO PRO N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000487 1 1 ?      "Streptomyces strain Z-237" ? 210110   NADB   ? 
PRD_000487 1 2 196914 "ACTINOPLANES FRIULIENSIS"  ? NOR00763 Norine ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000487 2012-02-01 RCSB "Create molecule"    
PRD_000487 2012-07-09 PDBE "Other modification" 
PRD_000487 2012-12-12 RCSB "Initial release"    
PRD_000487 2013-06-03 RCSB "Other modification" 
PRD_000487 2017-05-04 RCSB "Other modification" 
PRD_000487 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000488
# 
_pdbx_reference_molecule.prd_id                       PRD_000488 
_pdbx_reference_molecule.name                         "TRIOSTIN A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic depsipeptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Anticancer 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C50 H62 N12 O12 S2" 
_pdbx_reference_molecule.formula_weight               1087.230 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;TRIOSTIN IS A BICYCLIC OCTADEPSIPEPTIDE, A MEMBER
OF THE QUINOXALINE CLASS OF ANTIBIOTICS.
HERE, TRIOSTIN IS REPRESENTED BY GROUPING TOGETHER THE
SEQUENCE (SEQRES) AND THE TWO LIGANDS (HET) QUI
;
_pdbx_reference_molecule.description                  
;TRIOSTIN IS A BICYCLIC OCTADEPSIPEPTIDE.
BICYCLIZATION IS ACHIEVED BY LINKING THE N- AND
THE C- TERMINI, AND A DISULPHIDE BOND BETWEEN
RESIDUES 3 AND 7.
THE TWO QUINOXALINE CHROMOPHORES ARE LINKED
TO THE D-SERINE RESIDUES, RESIDUES 1 AND 5.
;
_pdbx_reference_molecule.representative_PDB_id_code   185d 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000488 1 1 polymer     "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 8" 
PRD_000488 2 2 non-polymer "QUINALDIC ACID CHROMOPHORE"            
PRD_000488 2 3 non-polymer "QUINALDIC ACID CHROMOPHORE"            
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000488 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "QUINALDIC ACID CHROMOPHORE" 
_pdbx_reference_entity_nonpoly.chem_comp_id    QUI 
_pdbx_reference_entity_nonpoly.details         ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000488 1 PN 1 1 DSN N 2 ? QUI C sing 1 2 ? ? ? 
PRD_000488 2 PN 1 5 DSN N 2 ? QUI C sing 1 3 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000488 1 1 C  DSN 1 N  ALA 2 sing 1 ? ? ? 
PRD_000488 1 2 OG DSN 1 C  MVA 8 sing 1 ? ? ? 
PRD_000488 1 3 C  ALA 2 N  NCY 3 sing 1 ? ? ? 
PRD_000488 1 4 C  NCY 3 N  MVA 4 sing 1 ? ? ? 
PRD_000488 1 5 SG NCY 3 SG NCY 7 sing 1 ? ? ? 
PRD_000488 1 6 C  MVA 4 OG DSN 5 sing 1 ? ? ? 
PRD_000488 1 7 C  DSN 5 N  ALA 6 sing 1 ? ? ? 
PRD_000488 1 8 C  ALA 6 N  NCY 7 sing 1 ? ? ? 
PRD_000488 1 9 C  NCY 7 N  MVA 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000488 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR01129 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000488 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000488 1 1 DSN SER N Y 
PRD_000488 1 2 ALA ALA N Y 
PRD_000488 1 3 NCY CYS N Y 
PRD_000488 1 4 MVA VAL N Y 
PRD_000488 1 5 DSN SER N Y 
PRD_000488 1 6 ALA ALA N Y 
PRD_000488 1 7 NCY CYS N Y 
PRD_000488 1 8 MVA VAL N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000488 1 1 45399 "Streptomyces triostinicus" ?      NOR01129 Norine ? 
PRD_000488 1 2 1931  Streptomycineae             PubMed ?        ?      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000488 2012-02-08 RCSB "Create molecule"    
PRD_000488 2012-07-09 PDBE "Other modification" 
PRD_000488 2012-07-31 RCSB "Other modification" 
PRD_000488 2012-12-12 RCSB "Initial release"    
PRD_000488 2013-06-03 RCSB "Other modification" 
PRD_000488 2017-05-04 RCSB "Other modification" 
PRD_000488 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000491
# 
_pdbx_reference_molecule.prd_id                       PRD_000491 
_pdbx_reference_molecule.name                         Echinomycin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic depsipeptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C51 H64 N12 O12 S2" 
_pdbx_reference_molecule.formula_weight               1101.26 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;THE ECHINOMYCIN IS A BICYCLIC OCTADEPSIPEPTIDE, A MEMBER
OF THE QUINOXALINE CLASS OF ANTIBIOTICS.
HERE, ECHINOMYCIN IS REPRESENTED BY GROUPING TOGETHER THE
SEQUENCE (SEQRES) AND TWO LIGANDS (HET) QUI.
;
_pdbx_reference_molecule.description                  
;ECHINOMYCIN IS A BICYCLIC OCTADEPSIPEPTIDE.
BICYCLIZATION IS ACHIEVED BY LINKING THE N- AND
THE C- TERMINI, AND A THIOACETAL BOND BETWEEN
RESIDUES 3 AND 7.
THE TWO QUINOXALINE CHROMOPHORES ARE LINKED
TO THE D-SERINE RESIDUES, RESIDUES 1 AND 5.
;
_pdbx_reference_molecule.representative_PDB_id_code   1xvr 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000491 1 1 polymer     "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 8" 
PRD_000491 2 2 non-polymer "QUINOXALINE CHROMOPHORE"               
PRD_000491 2 3 non-polymer "QUINOXALINE CHROMOPHORE"               
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000491 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "QUINOXALINE CHROMOPHORE" 
_pdbx_reference_entity_nonpoly.chem_comp_id    QUI 
_pdbx_reference_entity_nonpoly.details         ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000491 1 PN 1 1 DSN N 2 ? QUI C sing 1 2 ? ? ? 
PRD_000491 2 PN 1 5 DSN N 2 ? QUI C sing 1 3 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000491 1 1 C  DSN 1 N  ALA 2 sing 1 ? ? ? 
PRD_000491 1 2 OG DSN 1 C  MVA 8 sing 1 ? ? ? 
PRD_000491 1 3 C  ALA 2 N  N2C 3 sing 1 ? ? ? 
PRD_000491 1 4 C  N2C 3 N  MVA 4 sing 1 ? ? ? 
PRD_000491 1 5 CB N2C 3 SG NCY 7 sing 1 ? ? ? 
PRD_000491 1 6 C  MVA 4 OG DSN 5 sing 1 ? ? ? 
PRD_000491 1 7 C  DSN 5 N  ALA 6 sing 1 ? ? ? 
PRD_000491 1 8 C  ALA 6 N  NCY 7 sing 1 ? ? ? 
PRD_000491 1 9 C  NCY 7 N  MVA 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000491 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR01126 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000491 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000491 1 1 DSN SER N Y 
PRD_000491 1 2 ALA ALA N Y 
PRD_000491 1 3 N2C CYS N Y 
PRD_000491 1 4 MVA VAL N Y 
PRD_000491 1 5 DSN SER N Y 
PRD_000491 1 6 ALA ALA N Y 
PRD_000491 1 7 NCY CYS N Y 
PRD_000491 1 8 MVA VAL N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000491 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 67293 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces echinatus." 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR01126 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000491 2012-02-01 RCSB "Create molecule"    
PRD_000491 2012-07-09 PDBE "Other modification" 
PRD_000491 2012-07-31 RCSB "Other modification" 
PRD_000491 2012-12-12 RCSB "Initial release"    
PRD_000491 2013-06-03 RCSB "Other modification" 
PRD_000491 2017-05-04 RCSB "Other modification" 
PRD_000491 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000492
# 
_pdbx_reference_molecule.prd_id                       PRD_000492 
_pdbx_reference_molecule.name                         uk63052 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic depsipeptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C56 H68 N10 O14 S2" 
_pdbx_reference_molecule.formula_weight               1169.328 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;QUINOMYCIN UK63052 IS A BICYCLIC OCTADEPSIPEPTIDE,
A MEMBER OF THE QUINOXALINE CLASS OF ANTIBIOTICS.
HERE, QUINOMYCIN IS REPRESENTED BY GROUPING TOGETHER THE
SEQUENCE (SEQRES) AND THE TWO LIGANDS (HET) HQU
;
_pdbx_reference_molecule.description                  
;QUINOMYCIN UK63052 IS A BICYCLIC OCTADEPSIPEPTIDE.
BICYCLIZATION IS ACHIEVED BY LINKING THE N- AND
THE C- TERMINI, AND A THIOACETAL BOND BETWEEN
RESIDUES 3 AND 7.
THE TWO HYDROXYQUINOXALINE CHROMOPHORES ARE LINKED
TO THE D-SERINE RESIDUES, RESIDUES 1 AND 5.
;
_pdbx_reference_molecule.representative_PDB_id_code   193d 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000492 1 1 polymer     "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 8" 
PRD_000492 2 2 non-polymer "3-HYDROXYQUINALDIC ACID CHROMOPHORE"   
PRD_000492 2 3 non-polymer "3-HYDROXYQUINALDIC ACID CHROMOPHORE"   
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000492 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "3-HYDROXYQUINALDIC ACID CHROMOPHORE" 
_pdbx_reference_entity_nonpoly.chem_comp_id    HQU 
_pdbx_reference_entity_nonpoly.details         ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000492 1 PN 1 1 DSN N 2 ? HQU C sing 1 2 ? ? ? 
PRD_000492 2 PN 1 5 DSN N 2 ? HQU C sing 1 3 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000492 1 1 C  DSN 1 N  ALA 2 sing 1 ? ? ? 
PRD_000492 1 2 OG DSN 1 C  CPC 8 sing 1 ? ? ? 
PRD_000492 1 3 C  ALA 2 N  NYB 3 sing 1 ? ? ? 
PRD_000492 1 4 CB NYB 3 SG NCY 7 sing 1 ? ? ? 
PRD_000492 1 5 C  NYB 3 N  CPC 4 sing 1 ? ? ? 
PRD_000492 1 6 C  CPC 4 OG DSN 5 sing 1 ? ? ? 
PRD_000492 1 7 C  DSN 5 N  ALA 6 sing 1 ? ? ? 
PRD_000492 1 8 C  ALA 6 N  NCY 7 sing 1 ? ? ? 
PRD_000492 1 9 C  NCY 7 N  CPC 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000492 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000492 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000492 1 1 DSN SER N Y 
PRD_000492 1 2 ALA ALA N Y 
PRD_000492 1 3 NYB CYS N Y 
PRD_000492 1 4 CPC ?   N Y 
PRD_000492 1 5 DSN SER N Y 
PRD_000492 1 6 ALA ALA N Y 
PRD_000492 1 7 NCY ?   N Y 
PRD_000492 1 8 CPC ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000492 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 ? 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces braegensis, N617-29" 
_pdbx_reference_entity_src_nat.source                PubMed 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000492 2012-02-08 RCSB "Create molecule"    
PRD_000492 2012-07-09 PDBE "Other modification" 
PRD_000492 2012-07-31 RCSB "Other modification" 
PRD_000492 2012-12-12 RCSB "Initial release"    
PRD_000492 2017-05-04 RCSB "Other modification" 
PRD_000492 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000503
# 
_pdbx_reference_molecule.prd_id                       PRD_000503 
_pdbx_reference_molecule.name                         ADEP1 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic depsipeptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C38 H50 N6 O8" 
_pdbx_reference_molecule.formula_weight               718.839 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3kti 
# 
_pdbx_reference_entity_list.prd_id          PRD_000503 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "ACYLDEPSIPEPTIDE 1" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000503 1 1 C1 OTT 1 N PHE 2 sing 1 ? ? ? 
PRD_000503 1 2 C  PHE 2 N SER 3 sing 1 ? ? ? 
PRD_000503 1 3 OG SER 3 C MP8 7 sing 1 ? ? ? 
PRD_000503 1 4 C  SER 3 N PRO 4 sing 1 ? ? ? 
PRD_000503 1 5 C  PRO 4 N MAA 5 sing 1 ? ? ? 
PRD_000503 1 6 C  MAA 5 N ALA 6 sing 1 ? ? ? 
PRD_000503 1 7 C  ALA 6 N MP8 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000503 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR01131 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000503 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000503 1 1 OTT ?   N Y 
PRD_000503 1 2 PHE PHE N Y 
PRD_000503 1 3 SER SER N Y 
PRD_000503 1 4 PRO PRO N Y 
PRD_000503 1 5 MAA ALA N Y 
PRD_000503 1 6 ALA ALA N Y 
PRD_000503 1 7 MP8 PRO N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000503 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 67305 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces hawaiiensis NRRL 15010" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR01131 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000503 2012-02-03 RCSB "Create molecule"    
PRD_000503 2012-07-09 PDBE "Other modification" 
PRD_000503 2012-12-12 RCSB "Initial release"    
PRD_000503 2013-06-03 RCSB "Other modification" 
PRD_000503 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000504
# 
_pdbx_reference_molecule.prd_id                       PRD_000504 
_pdbx_reference_molecule.name                         ADEP2 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic depsipeptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C41 H56 F2 N6 O8" 
_pdbx_reference_molecule.formula_weight               798.916 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3ktj 
# 
_pdbx_reference_entity_list.prd_id          PRD_000504 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "ACYLDEPSIPEPTIDE 2" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000504 1 1 C9 CXP 1 N WFP 2 sing 1 ? ? ? 
PRD_000504 1 2 C  WFP 2 N SER 3 sing 1 ? ? ? 
PRD_000504 1 3 OG SER 3 C MP8 7 sing 1 ? ? ? 
PRD_000504 1 4 C  SER 3 N PRO 4 sing 1 ? ? ? 
PRD_000504 1 5 C  PRO 4 N YCP 5 sing 1 ? ? ? 
PRD_000504 1 6 C  YCP 5 N ALA 6 sing 1 ? ? ? 
PRD_000504 1 7 C  ALA 6 N MP8 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000504 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR01131 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000504 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000504 1 1 CXP ?   N Y 
PRD_000504 1 2 WFP PHE N Y 
PRD_000504 1 3 SER SER N Y 
PRD_000504 1 4 PRO PRO N Y 
PRD_000504 1 5 YCP ?   N Y 
PRD_000504 1 6 ALA ALA N Y 
PRD_000504 1 7 MP8 MP8 N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000504 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 ? 
_pdbx_reference_entity_src_nat.organism_scientific   synthetic 
_pdbx_reference_entity_src_nat.source                DOI 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000504 2012-02-03 RCSB "Create molecule"    
PRD_000504 2012-07-09 PDBE "Other modification" 
PRD_000504 2012-12-12 RCSB "Initial release"    
PRD_000504 2013-06-03 RCSB "Other modification" 
PRD_000504 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000505
# 
_pdbx_reference_molecule.prd_id                       PRD_000505 
_pdbx_reference_molecule.name                         Quinupristin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C53 H67 N9 O10 S" 
_pdbx_reference_molecule.formula_weight               1022.218 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "QUINUPRISTIN IS A STREPTOGRAMIN ANTIBIOTIC. HERE, QUINUPRISTIN IS REPRESENTED BY SEQUENCE (SEQRES)." 
_pdbx_reference_molecule.description                  "QUINUPRISTIN IS A CYLIC HEPTAPEPTIDE. THE RING GENERATED BY LINKING RESIDUE 2 SIDE-CHAIN IS AND MAIN-CHAIN RESIDUE 7." 
_pdbx_reference_molecule.representative_PDB_id_code   1yjw 
# 
_pdbx_reference_entity_list.prd_id          PRD_000505 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 7" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000505 1 1 C   MHW 1 N  THR 2 sing 1 ? ? ? 
PRD_000505 1 2 C   THR 2 N  DBB 3 sing 1 ? ? ? 
PRD_000505 1 3 OG1 THR 2 C  004 7 sing 1 ? ? ? 
PRD_000505 1 4 C   DBB 3 N  PRO 4 sing 1 ? ? ? 
PRD_000505 1 5 C   PRO 4 N  MHU 5 sing 1 ? ? ? 
PRD_000505 1 6 C   MHU 5 N  MHV 6 sing 1 ? ? ? 
PRD_000505 1 7 CD2 MHV 6 CM MHT 8 sing 1 ? ? ? 
PRD_000505 1 8 C   MHV 6 N  004 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000505 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000505 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000505 1 1 MHW ?   N Y 
PRD_000505 1 2 THR THR N Y 
PRD_000505 1 3 DBB ALA N Y 
PRD_000505 1 4 PRO PRO N Y 
PRD_000505 1 5 MHU PHE N Y 
PRD_000505 1 6 MHV ?   N Y 
PRD_000505 1 7 004 GLY N Y 
PRD_000505 1 8 MHT ?   N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_pdbx_reference_entity_src_nat.source 
_pdbx_reference_entity_src_nat.db_code 
_pdbx_reference_entity_src_nat.db_name 
_pdbx_reference_entity_src_nat.strain 
PRD_000505 1 1 457429 "Streptomyces pristinaespiralis" ?     D00852 KEGG ? 
PRD_000505 1 2 68212  "Streptomyces graminofaciens"    Merck ?      ?    ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000505 2012-02-08 RCSB "Create molecule"    
PRD_000505 2012-07-09 PDBE "Other modification" 
PRD_000505 2012-12-12 RCSB "Initial release"    
PRD_000505 2013-06-03 RCSB "Other modification" 
PRD_000505 2015-04-15 RCSB "Other modification" 
PRD_000505 2017-05-04 RCSB "Other modification" 
PRD_000505 2020-07-29 RCSB "Other modification" 
PRD_000505 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000507
# 
_pdbx_reference_molecule.prd_id                       PRD_000507 
_pdbx_reference_molecule.name                         "PYOVERDIN C-E CHROMOPHORE" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Metal Transport" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C55 H86 N17 O22" 
_pdbx_reference_molecule.formula_weight               1337.372 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;PYOVERDINES ARE A GROUP OF STRUCTURALLY RELATED SIDEROPHORES PRODUCED BY FLUORESCENT PSEUDOMONAS SPECIES. PYOVERDINE
IS NECESSARY FOR INFECTION IN SEVERAL DIFFERENT DISEASE MODELS. THE OCCURRENCE OF PYOVERDINE-DEFECTIVE STRAINS IN
CHRONIC INFECTIONS OF PATIENTS WITH CYSTIC FIBROSIS AND THE EXTREMELY HIGH SEQUENCE DIVERSITY OF GENES INVOLVED IN
PYOVERDINE SYNTHESIS AND UPTAKE INDICATE THAT PYOVERDINE PRODUCTION IS SUBJECT TO HIGH EVOLUTIONARY PRESSURE.
PYOVERDINE-DEPENDENT IRON TRANSPORT IS ALSO CRUCIAL FOR BIOFILM DEVELOPMENT, FURTHER EXPANDING THE IMPORTANCE OF THESE
SIDEROPHORES IN PSEUDOMONAS BIOLOGY.
;
_pdbx_reference_molecule.description                  
;IN IRON-DEFICIENT CONDITIONS, PSEUDOMONAS AERUGINOSA SECRETES A MAJOR FLUORESCENT SIDEROPHORE NAMED PYOVERDIN (PVD),
WHICH AFTER CHELATING IRON(III) IS TRANSPORTED BACK INTO THE CELL VIA ITS OUTER MEMBRANE RECEPTOR FPVA. FPVA IS A
TONB-DEPENDENT TRANSPORT PROTEIN AND HAS THE ABILITY TO BIND PVD IN ITS APO- OR IRON-LOADED FORM.
;
_pdbx_reference_molecule.representative_PDB_id_code   1xkh 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000507 1 1 polymer     PYOVERDINE 
PRD_000507 2 2 non-polymer PVE        
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000507 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-A]QUINOLIN-11-IUM" 
_pdbx_reference_entity_nonpoly.chem_comp_id    PVE 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_link.prd_id              PRD_000507 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    1 
_pdbx_reference_entity_link.comp_id_1           DSN 
_pdbx_reference_entity_link.atom_id_1           N 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    ? 
_pdbx_reference_entity_link.comp_id_2           PVE 
_pdbx_reference_entity_link.atom_id_2           C15 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             ? 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000507 1 1 C  DSN 1 N ARG 2 sing 1 ? ? ? 
PRD_000507 1 2 C  ARG 2 N DSN 3 sing 1 ? ? ? 
PRD_000507 1 3 C  DSN 3 N FHO 4 sing 1 ? ? ? 
PRD_000507 1 4 C  FHO 4 N LYS 5 sing 1 ? ? ? 
PRD_000507 1 5 C  LYS 5 N FHO 6 sing 1 ? ? ? 
PRD_000507 1 6 NZ LYS 5 C THR 8 sing 1 ? ? ? 
PRD_000507 1 7 C  FHO 6 N THR 7 sing 1 ? ? ? 
PRD_000507 1 8 C  THR 7 N THR 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000507 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00190 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000507 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000507 1 1 DSN SER N Y 
PRD_000507 1 2 ARG ARG N Y 
PRD_000507 1 3 DSN SER N Y 
PRD_000507 1 4 FHO LYS N Y 
PRD_000507 1 5 LYS LYS N Y 
PRD_000507 1 6 FHO LYS N Y 
PRD_000507 1 7 THR THR N Y 
PRD_000507 1 8 THR THR N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000507 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 287 
_pdbx_reference_entity_src_nat.organism_scientific   "Pseudomonas aeruginosa" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00190 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000507 2012-02-03 RCSB "Create molecule"    
PRD_000507 2012-07-09 PDBE "Other modification" 
PRD_000507 2012-12-12 RCSB "Initial release"    
PRD_000507 2013-06-03 RCSB "Other modification" 
PRD_000507 2017-05-04 RCSB "Other modification" 
PRD_000507 2020-07-29 RCSB "Other modification" 
PRD_000507 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000553
# 
_pdbx_reference_molecule.prd_id                       PRD_000553 
_pdbx_reference_molecule.name                         APSTATIN 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H33 N5 O5" 
_pdbx_reference_molecule.formula_weight               459.539 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1n51 
# 
_pdbx_reference_entity_list.prd_id          PRD_000553 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 5" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000553 1 1 C 01B 1 N PRO 2 sing 1 ? ? ? 
PRD_000553 1 2 C PRO 2 N PRO 3 sing 1 ? ? ? 
PRD_000553 1 3 C PRO 3 N ALA 4 sing 1 ? ? ? 
PRD_000553 1 4 C ALA 4 N NH2 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000553 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000553 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000553 1 1 01B ?   N Y 
PRD_000553 1 2 PRO PRO N Y 
PRD_000553 1 3 PRO PRO N Y 
PRD_000553 1 4 ALA ALA N Y 
PRD_000553 1 5 NH2 ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000553 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 ? 
_pdbx_reference_entity_src_nat.organism_scientific   synthetic 
_pdbx_reference_entity_src_nat.source                PubMed 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000553 2012-02-08 RCSB "Create molecule"    
PRD_000553 2012-07-09 PDBE "Other modification" 
PRD_000553 2012-12-12 RCSB "Initial release"    
PRD_000553 2020-07-29 RCSB "Other modification" 
PRD_000553 2023-09-20 PDBE "Modify audit"       
PRD_000553 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000554
# 
_pdbx_reference_molecule.prd_id                       PRD_000554 
_pdbx_reference_molecule.name                         "Cyclotheonamide A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H46 N9 O8" 
_pdbx_reference_molecule.formula_weight               732.806 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               OBS 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  PRD_000428 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1tmb 
# 
_pdbx_reference_entity_list.prd_id          PRD_000554 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 8" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000554 1 1 C 0MG 1 N DPN 2 sing 1 ? ? ? 
PRD_000554 1 2 N 0MG 1 C PRO 5 sing 1 ? ? ? 
PRD_000554 1 3 C DPN 2 N VLT 3 sing 1 ? ? ? 
PRD_000554 1 4 C VLT 3 N 0FL 4 sing 1 ? ? ? 
PRD_000554 1 5 C 0FL 4 N PRO 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000554 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00471 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000554 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000554 1 1 0MG ARG N Y 
PRD_000554 1 2 DPN PHE N Y 
PRD_000554 1 3 VLT TYR N Y 
PRD_000554 1 4 0FL PRO N Y 
PRD_000554 1 5 PRO PRO N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000554 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 73791 
_pdbx_reference_entity_src_nat.organism_scientific   "Theonella swinhoei" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00471 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000554 2012-02-03 RCSB "Create molecule"    
PRD_000554 2012-07-09 PDBE "Other modification" 
PRD_000554 2013-02-19 RCSB "Obsolete molecule"  
PRD_000554 2013-06-03 RCSB "Other modification" 
PRD_000554 2023-09-20 PDBE "Modify audit"       
PRD_000554 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000555
# 
_pdbx_reference_molecule.prd_id                       PRD_000555 
_pdbx_reference_molecule.name                         "AERUGINOSIN 298-A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor, Trypsin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H48 N6 O7" 
_pdbx_reference_molecule.formula_weight               604.73812 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1a2c 
# 
_pdbx_reference_entity_list.prd_id          PRD_000555 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 4" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000555 1 1 C1 34H 1 N LEU 2 sing 1 ? ? ? 
PRD_000555 1 2 C  LEU 2 N PRJ 3 sing 1 ? ? ? 
PRD_000555 1 3 C  PRJ 3 N OAR 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000555 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000555 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000555 1 1 34H TYR N Y 
PRD_000555 1 2 LEU LEU N Y 
PRD_000555 1 3 PRJ PRO N Y 
PRD_000555 1 4 OAR ARG N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000555 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 449468 
_pdbx_reference_entity_src_nat.organism_scientific   "Microcystis aeruginosa (NIES-298)" 
_pdbx_reference_entity_src_nat.source                DOI 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000555 2012-02-01 RCSB "Create molecule"    
PRD_000555 2012-07-09 PDBE "Other modification" 
PRD_000555 2012-11-28 RCSB "Modify class"       
PRD_000555 2012-12-12 RCSB "Initial release"    
PRD_000555 2023-09-20 PDBE "Modify audit"       
PRD_000555 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000556
# 
_pdbx_reference_molecule.prd_id                       PRD_000556 
_pdbx_reference_molecule.name                         "AERUGINOSIN 98-B" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor, Trypsin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H46 N6 O9 S" 
_pdbx_reference_molecule.formula_weight               654.77534 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1aq7 
# 
_pdbx_reference_entity_list.prd_id          PRD_000556 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 4" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000556 1 1 C1 34H 1 N DIL 2 sing 1 ? ? ? 
PRD_000556 1 2 C  DIL 2 N XPR 3 sing 1 ? ? ? 
PRD_000556 1 3 C  XPR 3 N AG2 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000556 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000556 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000556 1 1 34H TYR N Y 
PRD_000556 1 2 DIL ILE N Y 
PRD_000556 1 3 XPR PRO N Y 
PRD_000556 1 4 AG2 ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000556 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 267869 
_pdbx_reference_entity_src_nat.organism_scientific   "Microcystis aeruginosa (NIES-28)" 
_pdbx_reference_entity_src_nat.source                DOI 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000556 2012-02-01 RCSB "Create molecule"    
PRD_000556 2012-07-09 PDBE "Other modification" 
PRD_000556 2012-11-28 RCSB "Modify class"       
PRD_000556 2012-12-12 RCSB "Initial release"    
PRD_000556 2020-07-29 RCSB "Other modification" 
PRD_000556 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000557
# 
_pdbx_reference_molecule.prd_id                       PRD_000557 
_pdbx_reference_molecule.name                         Pepstatin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C34 H63 N5 O9" 
_pdbx_reference_molecule.formula_weight               685.892 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3emy 
# 
_pdbx_reference_entity_list.prd_id          PRD_000557 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 6" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000557 1 1 C IVA 1 N VAL 2 sing 1 ? ? ? 
PRD_000557 1 2 C VAL 2 N VAL 3 sing 1 ? ? ? 
PRD_000557 1 3 C VAL 3 N STA 4 sing 1 ? ? ? 
PRD_000557 1 4 C STA 4 N ALA 5 sing 1 ? ? ? 
PRD_000557 1 5 C ALA 5 N STA 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000557 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000557 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000557 1 1 IVA VAL N Y 
PRD_000557 1 2 VAL VAL N Y 
PRD_000557 1 3 VAL VAL N Y 
PRD_000557 1 4 STA ?   N Y 
PRD_000557 1 5 ALA ALA N Y 
PRD_000557 1 6 STA ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000557 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 285516 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces argenteolus subsp. toyonakensis" 
_pdbx_reference_entity_src_nat.source                Merck 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000557 2012-02-08 RCSB "Create molecule"    
PRD_000557 2012-07-09 PDBE "Other modification" 
PRD_000557 2012-12-12 RCSB "Initial release"    
PRD_000557 2020-07-29 RCSB "Other modification" 
PRD_000557 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000558
# 
_pdbx_reference_molecule.prd_id                       PRD_000558 
_pdbx_reference_molecule.name                         "Chymostatin A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H41 N7 O6" 
_pdbx_reference_molecule.formula_weight               607.701 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1m21 
# 
_pdbx_reference_entity_list.prd_id          PRD_000558 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 4" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000558 1 1 N PHE 1 C7 CSI 2 sing 1 ? ? ? 
PRD_000558 1 2 C CSI 2 N  LEU 3 sing 1 ? ? ? 
PRD_000558 1 3 C LEU 3 N  PHA 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000558 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000558 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000558 1 1 PHE PHE N Y 
PRD_000558 1 2 CSI GLY N Y 
PRD_000558 1 3 LEU LEU N Y 
PRD_000558 1 4 PHA PHE N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000558 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1912 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces hygroscopicus, MC521-C8" 
_pdbx_reference_entity_src_nat.source                PubMed 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000558 2012-02-08 RCSB "Create molecule"    
PRD_000558 2012-07-09 PDBE "Other modification" 
PRD_000558 2012-12-12 RCSB "Initial release"    
PRD_000558 2020-07-29 RCSB "Other modification" 
PRD_000558 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000559
# 
_pdbx_reference_molecule.prd_id                       PRD_000559 
_pdbx_reference_molecule.name                         Chymostatin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H32 N6 O5" 
_pdbx_reference_molecule.formula_weight               460.527 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1ke2 
# 
_pdbx_reference_entity_list.prd_id          PRD_000559 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 3" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000559 1 1 C CSI 1 N LEU 2 sing 1 ? ? ? 
PRD_000559 1 2 C LEU 2 N PHA 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000559 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000559 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000559 1 1 CSI GLY N Y 
PRD_000559 1 2 LEU GLY N Y 
PRD_000559 1 3 PHA PHE N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000559 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1914 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces lavendulae, MC524-C1" 
_pdbx_reference_entity_src_nat.source                PubMed 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000559 2012-02-08 RCSB "Create molecule"    
PRD_000559 2012-07-09 PDBE "Other modification" 
PRD_000559 2012-12-12 RCSB "Initial release"    
PRD_000559 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000560
# 
_pdbx_reference_molecule.prd_id                       PRD_000560 
_pdbx_reference_molecule.name                         Lisinopril 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H31 N3 O5" 
_pdbx_reference_molecule.formula_weight               405.488 
_pdbx_reference_molecule.chem_comp_id                 LPR 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1j36 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000560 
_pdbx_reference_entity_subcomponents.seq            "CLT LYS PRO" 
_pdbx_reference_entity_subcomponents.chem_comp_id   LPR 
# 
_pdbx_reference_entity_list.prd_id          PRD_000560 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000560 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000560 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000560 1 1 CLT .   N Y 
PRD_000560 1 2 LYS LYS N Y 
PRD_000560 1 3 PRO PRO N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000560 1 1 1 CA CLT 1 N LYS 2 SING ? ? ? 
PRD_000560 1 1 2 C  LYS 2 N PRO 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000560 2012-02-08 RCSB "Create molecule"    
PRD_000560 2012-05-01 RCSB "Other modification" 
PRD_000560 2012-07-09 PDBE "Other modification" 
PRD_000560 2012-12-12 RCSB "Initial release"    
PRD_000560 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000561
# 
_pdbx_reference_molecule.prd_id                       PRD_000561 
_pdbx_reference_molecule.name                         FR901277 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antiinflammatory 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C47 H63 N9 O13" 
_pdbx_reference_molecule.formula_weight               962.056 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1qr3 
# 
_pdbx_reference_entity_list.prd_id          PRD_000561 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 8" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000561 1 1  C   ALQ 1 N    CIR 2 sing 1 ? ? ? 
PRD_000561 1 2  C   CIR 2 N    THR 3 sing 1 ? ? ? 
PRD_000561 1 3  N8  CIR 2 CD12 TYJ 7 sing 1 ? ? ? 
PRD_000561 1 4  C   THR 3 N    DBU 4 sing 1 ? ? ? 
PRD_000561 1 5  OG1 THR 3 C    VAL 8 sing 1 ? ? ? 
PRD_000561 1 6  C   DBU 4 N    GLJ 5 sing 1 ? ? ? 
PRD_000561 1 7  C   GLJ 5 N    PHE 6 sing 1 ? ? ? 
PRD_000561 1 8  CD  GLJ 5 N    PHE 6 sing 1 ? ? ? 
PRD_000561 1 9  C   PHE 6 N    TYJ 7 sing 1 ? ? ? 
PRD_000561 1 10 C   TYJ 7 N    VAL 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000561 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000561 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000561 1 1 ALQ ALA N Y 
PRD_000561 1 2 CIR ARG N Y 
PRD_000561 1 3 THR THR N Y 
PRD_000561 1 4 DBU THR N Y 
PRD_000561 1 5 GLJ GLU N Y 
PRD_000561 1 6 PHE PHE N Y 
PRD_000561 1 7 TYJ TYR N Y 
PRD_000561 1 8 VAL VAL N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000561 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 67356 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces resistomycificus" 
_pdbx_reference_entity_src_nat.source                PubMed 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000561 2012-02-08 RCSB "Create molecule"    
PRD_000561 2012-07-09 PDBE "Other modification" 
PRD_000561 2020-07-29 RCSB "Other modification" 
PRD_000561 2020-08-12 RCSB "Initial release"    
PRD_000561 2023-09-20 PDBE "Modify audit"       
PRD_000561 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000562
# 
_pdbx_reference_molecule.prd_id                       PRD_000562 
_pdbx_reference_molecule.name                         "kynostatin 272" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C33 H41 N5 O6 S2" 
_pdbx_reference_molecule.formula_weight               667.839 
_pdbx_reference_molecule.chem_comp_id                 KNI 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1hpx 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000562 
_pdbx_reference_entity_subcomponents.seq            "TUC SMC 005 PRS NTB" 
_pdbx_reference_entity_subcomponents.chem_comp_id   KNI 
# 
_pdbx_reference_entity_list.prd_id          PRD_000562 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000562 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000562 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000562 1 1 TUC .   N Y 
PRD_000562 1 2 SMC CYS N Y 
PRD_000562 1 3 005 .   N Y 
PRD_000562 1 4 PRS PRO N Y 
PRD_000562 1 5 NTB .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000562 1 1 1 C11 TUC 1 N SMC 2 SING ? ? ? 
PRD_000562 1 1 2 C   SMC 2 N 005 3 SING ? ? ? 
PRD_000562 1 1 3 C   005 3 N PRS 4 SING ? ? ? 
PRD_000562 1 1 4 C   PRS 4 N NTB 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000562 2012-02-08 RCSB "Create molecule"    
PRD_000562 2012-05-01 RCSB "Other modification" 
PRD_000562 2012-07-09 PDBE "Other modification" 
PRD_000562 2012-12-12 RCSB "Initial release"    
PRD_000562 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000563
# 
_pdbx_reference_molecule.prd_id                       PRD_000563 
_pdbx_reference_molecule.name                         CP-108,420 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C33 H48 N6 O5 S" 
_pdbx_reference_molecule.formula_weight               640.836 
_pdbx_reference_molecule.chem_comp_id                 2Y2 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1fq4 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000563 
_pdbx_reference_entity_subcomponents.seq            "TRM SMC PCE EMR" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2Y2 
# 
_pdbx_reference_entity_list.prd_id          PRD_000563 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000563 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000563 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000563 1 1 TRM .   N Y 
PRD_000563 1 2 SMC CYS N Y 
PRD_000563 1 3 PCE .   N Y 
PRD_000563 1 4 EMR .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000563 1 1 1 C TRM 1 N     SMC 2 SING ? ? ? 
PRD_000563 1 1 2 C SMC 2 N     PCE 3 SING ? ? ? 
PRD_000563 1 1 3 C PCE 3 "N2'" EMR 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000563 2012-02-08 RCSB "Create molecule"    
PRD_000563 2012-05-01 RCSB "Other modification" 
PRD_000563 2012-07-09 PDBE "Other modification" 
PRD_000563 2012-12-12 RCSB "Initial release"    
PRD_000563 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000564
# 
_pdbx_reference_molecule.prd_id                       PRD_000564 
_pdbx_reference_molecule.name                         CP-72,647 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C37 H58 N6 O6" 
_pdbx_reference_molecule.formula_weight               682.893 
_pdbx_reference_molecule.chem_comp_id                 2Y3 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1fq7 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000564 
_pdbx_reference_entity_subcomponents.seq            "BOC PHE HIS MP0" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2Y3 
# 
_pdbx_reference_entity_list.prd_id          PRD_000564 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000564 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000564 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000564 1 1 BOC .   N Y 
PRD_000564 1 2 PHE PHE N Y 
PRD_000564 1 3 HIS HIS N Y 
PRD_000564 1 4 MP0 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000564 1 1 1 C PHE 2 N  HIS 3 SING ? ? ? 
PRD_000564 1 1 2 C HIS 3 N5 MP0 4 SING ? ? ? 
PRD_000564 1 1 3 C BOC 1 N  PHE 2 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000564 2012-02-08 RCSB "Create molecule"    
PRD_000564 2012-05-01 RCSB "Other modification" 
PRD_000564 2012-07-09 PDBE "Other modification" 
PRD_000564 2012-12-12 RCSB "Initial release"    
PRD_000564 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000565
# 
_pdbx_reference_molecule.prd_id                       PRD_000565 
_pdbx_reference_molecule.name                         CP81,198 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H49 F2 N5 O6" 
_pdbx_reference_molecule.formula_weight               637.758 
_pdbx_reference_molecule.chem_comp_id                 2Y4 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1fq8 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000565 
_pdbx_reference_entity_subcomponents.seq            "MOR PHE NLE MI0" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2Y4 
# 
_pdbx_reference_entity_list.prd_id          PRD_000565 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000565 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000565 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000565 1 1 MOR .   N Y 
PRD_000565 1 2 PHE PHE N Y 
PRD_000565 1 3 NLE LEU N Y 
PRD_000565 1 4 MI0 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000565 1 1 1 C PHE 2 N  NLE 3 SING ? ? ? 
PRD_000565 1 1 2 C MOR 1 N  PHE 2 SING ? ? ? 
PRD_000565 1 1 3 C NLE 3 N1 MI0 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000565 2012-02-08 RCSB "Create molecule"    
PRD_000565 2012-05-01 RCSB "Other modification" 
PRD_000565 2012-07-09 PDBE "Other modification" 
PRD_000565 2012-12-12 RCSB "Initial release"    
PRD_000565 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000566
# 
_pdbx_reference_molecule.prd_id                       PRD_000566 
_pdbx_reference_molecule.name                         KNI-764 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H37 N3 O5 S" 
_pdbx_reference_molecule.formula_weight               575.718 
_pdbx_reference_molecule.chem_comp_id                 JE2 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1kzk 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000566 
_pdbx_reference_entity_subcomponents.seq            "PF0 005 00B KNN" 
_pdbx_reference_entity_subcomponents.chem_comp_id   JE2 
# 
_pdbx_reference_entity_list.prd_id          PRD_000566 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000566 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000566 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000566 1 1 PF0 . N Y 
PRD_000566 1 2 005 . N Y 
PRD_000566 1 3 00B . N Y 
PRD_000566 1 4 KNN . N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000566 1 1 1 C8 PF0 1 N  005 2 SING ? ? ? 
PRD_000566 1 1 2 C  005 2 N  00B 3 SING ? ? ? 
PRD_000566 1 1 3 C  00B 3 N1 KNN 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000566 2012-02-08 RCSB "Create molecule"    
PRD_000566 2012-05-01 RCSB "Other modification" 
PRD_000566 2012-07-09 PDBE "Other modification" 
PRD_000566 2012-12-12 RCSB "Initial release"    
PRD_000566 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000567
# 
_pdbx_reference_molecule.prd_id                       PRD_000567 
_pdbx_reference_molecule.name                         KNI-577 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H37 N3 O5 S" 
_pdbx_reference_molecule.formula_weight               527.675 
_pdbx_reference_molecule.chem_comp_id                 K57 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1mrx 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000567 
_pdbx_reference_entity_subcomponents.seq            "PF0 005 00B NTB" 
_pdbx_reference_entity_subcomponents.chem_comp_id   K57 
# 
_pdbx_reference_entity_list.prd_id          PRD_000567 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000567 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000567 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000567 1 1 PF0 . N Y 
PRD_000567 1 2 005 . N Y 
PRD_000567 1 3 00B . N Y 
PRD_000567 1 4 NTB . N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000567 1 1 1 C8 PF0 1 N 005 2 SING ? ? ? 
PRD_000567 1 1 2 C  005 2 N 00B 3 SING ? ? ? 
PRD_000567 1 1 3 C  00B 3 N NTB 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000567 2012-02-08 RCSB "Create molecule"    
PRD_000567 2012-05-01 RCSB "Other modification" 
PRD_000567 2012-07-09 PDBE "Other modification" 
PRD_000567 2012-12-12 RCSB "Initial release"    
PRD_000567 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000568
# 
_pdbx_reference_molecule.prd_id                       PRD_000568 
_pdbx_reference_molecule.name                         TG-0204998 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H49 N5 O7" 
_pdbx_reference_molecule.formula_weight               615.761 
_pdbx_reference_molecule.chem_comp_id                 ZU3 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2zu3 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000568 
_pdbx_reference_entity_subcomponents.seq            "PHQ Z01 LEU Z0A" 
_pdbx_reference_entity_subcomponents.chem_comp_id   ZU3 
# 
_pdbx_reference_entity_list.prd_id          PRD_000568 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000568 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000568 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000568 1 1 PHQ .   N Y 
PRD_000568 1 2 Z01 ALA N Y 
PRD_000568 1 3 LEU LEU N Y 
PRD_000568 1 4 Z0A .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000568 1 1 1 C1 PHQ 1 N  Z01 2 SING ? ? ? 
PRD_000568 1 1 2 C  Z01 2 N  LEU 3 SING ? ? ? 
PRD_000568 1 1 3 C  LEU 3 N1 Z0A 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000568 2012-02-08 RCSB "Create molecule"    
PRD_000568 2012-05-01 RCSB "Other modification" 
PRD_000568 2012-07-09 PDBE "Other modification" 
PRD_000568 2012-12-12 RCSB "Initial release"    
PRD_000568 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000569
# 
_pdbx_reference_molecule.prd_id                       PRD_000569 
_pdbx_reference_molecule.name                         TG-0205486 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C34 H52 N4 O7" 
_pdbx_reference_molecule.formula_weight               628.799 
_pdbx_reference_molecule.chem_comp_id                 ZU5 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2zu5 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000569 
_pdbx_reference_entity_subcomponents.seq            "PHQ ZU0 LEU 2UA" 
_pdbx_reference_entity_subcomponents.chem_comp_id   ZU5 
# 
_pdbx_reference_entity_list.prd_id          PRD_000569 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000569 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000569 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000569 1 1 PHQ .   N Y 
PRD_000569 1 2 ZU0 THR N Y 
PRD_000569 1 3 LEU LEU N Y 
PRD_000569 1 4 2UA .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000569 1 1 1 C  LEU 3 N 2UA 4 SING ? ? ? 
PRD_000569 1 1 2 C  ZU0 2 N LEU 3 SING ? ? ? 
PRD_000569 1 1 3 C1 PHQ 1 N ZU0 2 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000569 2012-02-08 RCSB "Create molecule"    
PRD_000569 2012-05-01 RCSB "Other modification" 
PRD_000569 2012-07-09 PDBE "Other modification" 
PRD_000569 2012-12-12 RCSB "Initial release"    
PRD_000569 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000571
# 
_pdbx_reference_molecule.prd_id                       PRD_000571 
_pdbx_reference_molecule.name                         FR901451 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic depsipeptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antiinflammatory 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C60 H80 N13 O18" 
_pdbx_reference_molecule.formula_weight               1271.353 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2cv3 
# 
_pdbx_reference_entity_list.prd_id          PRD_000571 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 11" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000571 1 1  C   THR 1  N  THR 2  sing 1 ? ? ? 
PRD_000571 1 2  OG1 THR 2  CG ASP 8  sing 1 ? ? ? 
PRD_000571 1 3  C   THR 2  N  LEU 3  sing 1 ? ? ? 
PRD_000571 1 4  C   LEU 3  N  LYS 4  sing 1 ? ? ? 
PRD_000571 1 5  NZ  LYS 4  CG ASP 11 sing 1 ? ? ? 
PRD_000571 1 6  C   LYS 4  N  PHE 5  sing 1 ? ? ? 
PRD_000571 1 7  C   PHE 5  N  PRO 6  sing 1 ? ? ? 
PRD_000571 1 8  C   PRO 6  N  SER 7  sing 1 ? ? ? 
PRD_000571 1 9  OG  SER 7  CG ASP 10 sing 1 ? ? ? 
PRD_000571 1 10 C   SER 7  N  ASP 8  sing 1 ? ? ? 
PRD_000571 1 11 C   ASP 8  N  TRP 9  sing 1 ? ? ? 
PRD_000571 1 12 C   TRP 9  N  ASP 10 sing 1 ? ? ? 
PRD_000571 1 13 C   ASP 10 N  ASP 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000571 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000571 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000571 1 1  THR THR N Y 
PRD_000571 1 2  THR THR N Y 
PRD_000571 1 3  LEU LEU N Y 
PRD_000571 1 4  LYS LYS N Y 
PRD_000571 1 5  PHE PHE N Y 
PRD_000571 1 6  PRO PRO N Y 
PRD_000571 1 7  SER SER N Y 
PRD_000571 1 8  ASP ASP N Y 
PRD_000571 1 9  TRP TRP N Y 
PRD_000571 1 10 ASP ASP N Y 
PRD_000571 1 11 ASP ASP N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000571 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1005 
_pdbx_reference_entity_src_nat.organism_scientific   "FLEXIBACTER SP." 
_pdbx_reference_entity_src_nat.source                DOI 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000571 2012-02-03 RCSB "Create molecule"    
PRD_000571 2012-07-09 PDBE "Other modification" 
PRD_000571 2012-12-12 RCSB "Initial release"    
PRD_000571 2013-06-03 RCSB "Other modification" 
PRD_000571 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000572
# 
_pdbx_reference_molecule.prd_id                       PRD_000572 
_pdbx_reference_molecule.name                         KNI-10772 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H41 N3 O6 S" 
_pdbx_reference_molecule.formula_weight               631.782 
_pdbx_reference_molecule.chem_comp_id                 016 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3nls 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000572 
_pdbx_reference_entity_subcomponents.seq            "DBA 00M 00B 00X" 
_pdbx_reference_entity_subcomponents.chem_comp_id   016 
# 
_pdbx_reference_entity_list.prd_id          PRD_000572 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000572 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000572 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000572 1 1 DBA . N Y 
PRD_000572 1 2 00M . N Y 
PRD_000572 1 3 00B . N Y 
PRD_000572 1 4 00X . N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000572 1 1 2 C1  DBA 1 N 00M 2 SING ? ? ? 
PRD_000572 1 1 3 N   00B 3 C 00M 2 SING ? ? ? 
PRD_000572 1 1 1 N30 00X 4 C 00B 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000572 2012-02-08 RCSB "Create molecule"    
PRD_000572 2012-05-01 RCSB "Other modification" 
PRD_000572 2012-07-09 PDBE "Other modification" 
PRD_000572 2012-12-12 RCSB "Initial release"    
PRD_000572 2013-02-13 RCSB "Other modification" 
PRD_000572 2013-02-26 RCSB "Other modification" 
PRD_000572 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000575
# 
_pdbx_reference_molecule.prd_id                       PRD_000575 
_pdbx_reference_molecule.name                         KNI-10006 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H41 N3 O6 S" 
_pdbx_reference_molecule.formula_weight               631.782 
_pdbx_reference_molecule.chem_comp_id                 006 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3fnu 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000575 
_pdbx_reference_entity_subcomponents.seq            "DBA 005 00B 00X" 
_pdbx_reference_entity_subcomponents.chem_comp_id   006 
# 
_pdbx_reference_entity_list.prd_id          PRD_000575 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000575 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000575 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000575 1 1 DBA . N Y 
PRD_000575 1 2 005 . N Y 
PRD_000575 1 3 00B . N Y 
PRD_000575 1 4 00X . N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000575 1 1 1 C1 DBA 1 N   005 2 SING ? ? ? 
PRD_000575 1 1 2 C  005 2 N   00B 3 SING ? ? ? 
PRD_000575 1 1 3 C  00B 3 N30 00X 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000575 2012-02-08 RCSB "Create molecule"    
PRD_000575 2012-05-01 RCSB "Other modification" 
PRD_000575 2012-07-09 PDBE "Other modification" 
PRD_000575 2013-02-13 RCSB "Other modification" 
PRD_000575 2012-12-12 RCSB "Initial release"    
PRD_000575 2013-02-27 RCSB "Modify sequence"    
PRD_000575 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000576
# 
_pdbx_reference_molecule.prd_id                       PRD_000576 
_pdbx_reference_molecule.name                         KNI-10075 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C40 H45 N5 O9 S2" 
_pdbx_reference_molecule.formula_weight               803.943 
_pdbx_reference_molecule.chem_comp_id                 075 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2pk5 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000576 
_pdbx_reference_entity_subcomponents.seq            "TUC KNB 005 00B 00X" 
_pdbx_reference_entity_subcomponents.chem_comp_id   075 
# 
_pdbx_reference_entity_list.prd_id          PRD_000576 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000576 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000576 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000576 1 1 TUC .   N Y 
PRD_000576 1 2 KNB ALA N Y 
PRD_000576 1 3 005 .   N Y 
PRD_000576 1 4 00B .   N Y 
PRD_000576 1 5 00X .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000576 1 1 1 C   00B 4 N30 00X 5 SING ? ? ? 
PRD_000576 1 1 2 C   005 3 N   00B 4 SING ? ? ? 
PRD_000576 1 1 3 C   KNB 2 N   005 3 SING ? ? ? 
PRD_000576 1 1 4 C11 TUC 1 N   KNB 2 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000576 2012-02-08 RCSB "Create molecule"    
PRD_000576 2012-05-01 RCSB "Other modification" 
PRD_000576 2012-07-09 PDBE "Other modification" 
PRD_000576 2012-12-12 RCSB "Initial release"    
PRD_000576 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000577
# 
_pdbx_reference_molecule.prd_id                       PRD_000577 
_pdbx_reference_molecule.name                         KNI-10562 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C37 H53 N5 O7 S" 
_pdbx_reference_molecule.formula_weight               711.911 
_pdbx_reference_molecule.chem_comp_id                 E13 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3lin 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000577 
_pdbx_reference_entity_subcomponents.seq            "000 004 TBG 005 00B NPT" 
_pdbx_reference_entity_subcomponents.chem_comp_id   E13 
# 
_pdbx_reference_entity_list.prd_id          PRD_000577 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000577 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000577 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000577 1 1 000 .   N Y 
PRD_000577 1 2 004 .   N Y 
PRD_000577 1 3 TBG VAL N Y 
PRD_000577 1 4 005 .   N Y 
PRD_000577 1 5 00B .   N Y 
PRD_000577 1 6 NPT .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000577 1 1 1 C 000 1 N 004 2 SING ? ? ? 
PRD_000577 1 1 2 C 004 2 N TBG 3 SING ? ? ? 
PRD_000577 1 1 3 C TBG 3 N 005 4 SING ? ? ? 
PRD_000577 1 1 4 C 005 4 N 00B 5 SING ? ? ? 
PRD_000577 1 1 5 C 00B 5 N NPT 6 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000577 2012-02-08 RCSB "Create molecule"    
PRD_000577 2012-05-01 RCSB "Other modification" 
PRD_000577 2012-07-09 PDBE "Other modification" 
PRD_000577 2012-12-12 RCSB "Initial release"    
PRD_000577 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000578
# 
_pdbx_reference_molecule.prd_id                       PRD_000578 
_pdbx_reference_molecule.name                         KNI-10673 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C34 H49 N5 O5 S" 
_pdbx_reference_molecule.formula_weight               639.848 
_pdbx_reference_molecule.chem_comp_id                 E14 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3liq 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000578 
_pdbx_reference_entity_subcomponents.seq            "004 TBG 005 00B IBN" 
_pdbx_reference_entity_subcomponents.chem_comp_id   E14 
# 
_pdbx_reference_entity_list.prd_id          PRD_000578 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000578 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000578 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000578 1 1 004 .   N Y 
PRD_000578 1 2 TBG VAL N Y 
PRD_000578 1 3 005 .   N Y 
PRD_000578 1 4 00B .   N Y 
PRD_000578 1 5 IBN .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000578 1 1 1 C 004 1 N TBG 2 SING ? ? ? 
PRD_000578 1 1 2 C TBG 2 N 005 3 SING ? ? ? 
PRD_000578 1 1 3 C 005 3 N 00B 4 SING ? ? ? 
PRD_000578 1 1 4 C 00B 4 N IBN 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000578 2012-02-08 RCSB "Create molecule"    
PRD_000578 2012-05-01 RCSB "Other modification" 
PRD_000578 2012-07-09 PDBE "Other modification" 
PRD_000578 2012-12-12 RCSB "Initial release"    
PRD_000578 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000579
# 
_pdbx_reference_molecule.prd_id                       PRD_000579 
_pdbx_reference_molecule.name                         KNI-10681 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H51 N5 O5 S" 
_pdbx_reference_molecule.formula_weight               653.875 
_pdbx_reference_molecule.chem_comp_id                 E15 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3lit 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000579 
_pdbx_reference_entity_subcomponents.seq            "004 TBG 005 00B CDE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   E15 
# 
_pdbx_reference_entity_list.prd_id          PRD_000579 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000579 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000579 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000579 1 1 004 .   N Y 
PRD_000579 1 2 TBG VAL N Y 
PRD_000579 1 3 005 .   N Y 
PRD_000579 1 4 00B .   N Y 
PRD_000579 1 5 CDE .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000579 1 1 1 C 004 1 N TBG 2 SING ? ? ? 
PRD_000579 1 1 2 C TBG 2 N 005 3 SING ? ? ? 
PRD_000579 1 1 3 C 005 3 N 00B 4 SING ? ? ? 
PRD_000579 1 1 4 C 00B 4 N CDE 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000579 2012-02-08 RCSB "Create molecule"    
PRD_000579 2012-05-01 RCSB "Other modification" 
PRD_000579 2012-07-09 PDBE "Other modification" 
PRD_000579 2012-12-12 RCSB "Initial release"    
PRD_000579 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000580
# 
_pdbx_reference_molecule.prd_id                       PRD_000580 
_pdbx_reference_molecule.name                         KNI-10683 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H53 N5 O5 S" 
_pdbx_reference_molecule.formula_weight               667.902 
_pdbx_reference_molecule.chem_comp_id                 E16 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3liv 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000580 
_pdbx_reference_entity_subcomponents.seq            "004 TBG 005 00B 00D" 
_pdbx_reference_entity_subcomponents.chem_comp_id   E16 
# 
_pdbx_reference_entity_list.prd_id          PRD_000580 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000580 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000580 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000580 1 1 004 .   N Y 
PRD_000580 1 2 TBG VAL N Y 
PRD_000580 1 3 005 .   N Y 
PRD_000580 1 4 00B .   N Y 
PRD_000580 1 5 00D .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000580 1 1 1 C 004 1 N TBG 2 SING ? ? ? 
PRD_000580 1 1 2 C TBG 2 N 005 3 SING ? ? ? 
PRD_000580 1 1 3 C 005 3 N 00B 4 SING ? ? ? 
PRD_000580 1 1 4 C 00B 4 N 00D 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000580 2012-02-08 RCSB "Create molecule"    
PRD_000580 2012-05-01 RCSB "Other modification" 
PRD_000580 2012-07-09 PDBE "Other modification" 
PRD_000580 2012-12-12 RCSB "Initial release"    
PRD_000580 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000581
# 
_pdbx_reference_molecule.prd_id                       PRD_000581 
_pdbx_reference_molecule.name                         KNI-10729 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C42 H62 N6 O7 S" 
_pdbx_reference_molecule.formula_weight               795.043 
_pdbx_reference_molecule.chem_comp_id                 E17 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3lix 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000581 
_pdbx_reference_entity_subcomponents.seq            "00E 004 TBG 005 00B 00D" 
_pdbx_reference_entity_subcomponents.chem_comp_id   E17 
# 
_pdbx_reference_entity_list.prd_id          PRD_000581 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000581 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000581 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000581 1 1 00E .   N Y 
PRD_000581 1 2 004 .   N Y 
PRD_000581 1 3 TBG VAL N Y 
PRD_000581 1 4 005 .   N Y 
PRD_000581 1 5 00B .   N Y 
PRD_000581 1 6 00D .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000581 1 1 1 C 00E 1 N 004 2 SING ? ? ? 
PRD_000581 1 1 2 C 004 2 N TBG 3 SING ? ? ? 
PRD_000581 1 1 3 C TBG 3 N 005 4 SING ? ? ? 
PRD_000581 1 1 4 C 005 4 N 00B 5 SING ? ? ? 
PRD_000581 1 1 5 C 00B 5 N 00D 6 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000581 2012-02-08 RCSB "Create molecule"    
PRD_000581 2012-05-01 RCSB "Other modification" 
PRD_000581 2012-07-09 PDBE "Other modification" 
PRD_000581 2012-12-12 RCSB "Initial release"    
PRD_000581 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000582
# 
_pdbx_reference_molecule.prd_id                       PRD_000582 
_pdbx_reference_molecule.name                         KNI-10074 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C33 H35 Cl2 N3 O6 S" 
_pdbx_reference_molecule.formula_weight               672.618 
_pdbx_reference_molecule.chem_comp_id                 JZP 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3kdc 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000582 
_pdbx_reference_entity_subcomponents.seq            "KNL 005 00B 00X" 
_pdbx_reference_entity_subcomponents.chem_comp_id   JZP 
# 
_pdbx_reference_entity_list.prd_id          PRD_000582 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000582 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000582 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000582 1 1 KNL . N Y 
PRD_000582 1 2 005 . N Y 
PRD_000582 1 3 00B . N Y 
PRD_000582 1 4 00X . N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000582 1 1 1 C1 KNL 1 N   005 2 SING ? ? ? 
PRD_000582 1 1 2 C  005 2 N   00B 3 SING ? ? ? 
PRD_000582 1 1 3 C  00B 3 N30 00X 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000582 2012-02-08 RCSB "Create molecule"    
PRD_000582 2012-05-01 RCSB "Other modification" 
PRD_000582 2012-07-09 PDBE "Other modification" 
PRD_000582 2012-12-12 RCSB "Initial release"    
PRD_000582 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000583
# 
_pdbx_reference_molecule.prd_id                       PRD_000583 
_pdbx_reference_molecule.name                         KNI-10265 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C33 H35 F2 N3 O6 S" 
_pdbx_reference_molecule.formula_weight               639.709 
_pdbx_reference_molecule.chem_comp_id                 JZQ 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3kdd 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000583 
_pdbx_reference_entity_subcomponents.seq            "KNP 005 00B 00X" 
_pdbx_reference_entity_subcomponents.chem_comp_id   JZQ 
# 
_pdbx_reference_entity_list.prd_id          PRD_000583 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000583 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000583 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000583 1 1 KNP . N Y 
PRD_000583 1 2 005 . N Y 
PRD_000583 1 3 00B . N Y 
PRD_000583 1 4 00X . N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000583 1 1 1 C1 KNP 1 N   005 2 SING ? ? ? 
PRD_000583 1 1 2 C  005 2 N   00B 3 SING ? ? ? 
PRD_000583 1 1 3 C  00B 3 N30 00X 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000583 2012-02-08 RCSB "Create molecule"    
PRD_000583 2012-05-01 RCSB "Other modification" 
PRD_000583 2012-07-09 PDBE "Other modification" 
PRD_000583 2012-12-12 RCSB "Initial release"    
PRD_000583 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000584
# 
_pdbx_reference_molecule.prd_id                       PRD_000584 
_pdbx_reference_molecule.name                         KNI-1689 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H40 N4 O5 S" 
_pdbx_reference_molecule.formula_weight               568.727 
_pdbx_reference_molecule.chem_comp_id                 KNJ 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3a2o 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000584 
_pdbx_reference_entity_subcomponents.seq            "K0L 005 00B IRS" 
_pdbx_reference_entity_subcomponents.chem_comp_id   KNJ 
# 
_pdbx_reference_entity_list.prd_id          PRD_000584 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000584 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000584 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000584 1 1 K0L . N Y 
PRD_000584 1 2 005 . N Y 
PRD_000584 1 3 00B . N Y 
PRD_000584 1 4 IRS . N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000584 1 1 1 C K0L 1 N  005 2 SING ? ? ? 
PRD_000584 1 1 2 C 005 2 N  00B 3 SING ? ? ? 
PRD_000584 1 1 3 C 00B 3 N1 IRS 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000584 2012-02-08 RCSB "Create molecule"    
PRD_000584 2012-05-01 RCSB "Other modification" 
PRD_000584 2012-07-09 PDBE "Other modification" 
PRD_000584 2012-12-12 RCSB "Initial release"    
PRD_000584 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000585
# 
_pdbx_reference_molecule.prd_id                       PRD_000585 
_pdbx_reference_molecule.name                         KNI-10033 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C40 H45 N5 O7 S2" 
_pdbx_reference_molecule.formula_weight               771.945 
_pdbx_reference_molecule.chem_comp_id                 O33 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2pk6 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000585 
_pdbx_reference_entity_subcomponents.seq            "TUC SMC 005 00B 00X" 
_pdbx_reference_entity_subcomponents.chem_comp_id   O33 
# 
_pdbx_reference_entity_list.prd_id          PRD_000585 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000585 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000585 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000585 1 1 TUC .   N Y 
PRD_000585 1 2 SMC CYS N Y 
PRD_000585 1 3 005 .   N Y 
PRD_000585 1 4 00B .   N Y 
PRD_000585 1 5 00X .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000585 1 1 1 C11 TUC 1 N   SMC 2 SING ? ? ? 
PRD_000585 1 1 2 C   SMC 2 N   005 3 SING ? ? ? 
PRD_000585 1 1 3 C   005 3 N   00B 4 SING ? ? ? 
PRD_000585 1 1 4 C   00B 4 N30 00X 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000585 2012-02-08 RCSB "Create molecule"    
PRD_000585 2012-05-01 RCSB "Other modification" 
PRD_000585 2012-07-09 PDBE "Other modification" 
PRD_000585 2012-12-12 RCSB "Initial release"    
PRD_000585 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000586
# 
_pdbx_reference_molecule.prd_id                       PRD_000586 
_pdbx_reference_molecule.name                         "(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H29 N5 O2" 
_pdbx_reference_molecule.formula_weight               371.477 
_pdbx_reference_molecule.chem_comp_id                 10U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3biu 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000586 
_pdbx_reference_entity_subcomponents.seq            "021 PRO 00S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   10U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000586 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000586 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000586 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000586 1 1 021 .   N Y 
PRD_000586 1 2 PRO PRO N Y 
PRD_000586 1 3 00S .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000586 1 1 1 C   PRO 2 N23 00S 3 SING ? ? ? 
PRD_000586 1 1 2 C14 021 1 N   PRO 2 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000586 2012-02-08 RCSB "Create molecule"    
PRD_000586 2012-05-01 RCSB "Other modification" 
PRD_000586 2012-07-09 PDBE "Other modification" 
PRD_000586 2012-12-12 RCSB "Initial release"    
PRD_000586 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000587
# 
_pdbx_reference_molecule.prd_id                       PRD_000587 
_pdbx_reference_molecule.name                         "(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H31 N5 O2" 
_pdbx_reference_molecule.formula_weight               385.503 
_pdbx_reference_molecule.chem_comp_id                 11U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3biv 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000587 
_pdbx_reference_entity_subcomponents.seq            "M30 PRO 00S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   11U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000587 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000587 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000587 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000587 1 1 M30 GLY N Y 
PRD_000587 1 2 PRO PRO N Y 
PRD_000587 1 3 00S .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000587 1 1 1 C M30 1 N   PRO 2 SING ? ? ? 
PRD_000587 1 1 2 C PRO 2 N23 00S 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000587 2012-02-08 RCSB "Create molecule"    
PRD_000587 2012-05-01 RCSB "Other modification" 
PRD_000587 2012-07-09 PDBE "Other modification" 
PRD_000587 2012-12-12 RCSB "Initial release"    
PRD_000587 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000588
# 
_pdbx_reference_molecule.prd_id                       PRD_000588 
_pdbx_reference_molecule.name                         "N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H33 N5 O2" 
_pdbx_reference_molecule.formula_weight               399.530 
_pdbx_reference_molecule.chem_comp_id                 12U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2zhw 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000588 
_pdbx_reference_entity_subcomponents.seq            "CGH PRO 00S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   12U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000588 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000588 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000588 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000588 1 1 CGH .   N Y 
PRD_000588 1 2 PRO PRO N Y 
PRD_000588 1 3 00S .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000588 1 1 1 C   PRO 2 N23 00S 3 SING ? ? ? 
PRD_000588 1 1 2 C14 CGH 1 N   PRO 2 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000588 2012-02-08 RCSB "Create molecule"    
PRD_000588 2012-05-01 RCSB "Other modification" 
PRD_000588 2012-07-09 PDBE "Other modification" 
PRD_000588 2012-12-12 RCSB "Initial release"    
PRD_000588 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000589
# 
_pdbx_reference_molecule.prd_id                       PRD_000589 
_pdbx_reference_molecule.name                         "N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H35 N5 O2" 
_pdbx_reference_molecule.formula_weight               413.556 
_pdbx_reference_molecule.chem_comp_id                 13U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2zhe 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000589 
_pdbx_reference_entity_subcomponents.seq            "CNG PRO 00S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   13U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000589 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000589 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000589 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000589 1 1 CNG .   N Y 
PRD_000589 1 2 PRO PRO N Y 
PRD_000589 1 3 00S .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000589 1 1 1 C   PRO 2 N23 00S 3 SING ? ? ? 
PRD_000589 1 1 2 C14 CNG 1 N   PRO 2 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000589 2012-02-08 RCSB "Create molecule"    
PRD_000589 2012-05-01 RCSB "Other modification" 
PRD_000589 2012-07-09 PDBE "Other modification" 
PRD_000589 2012-12-12 RCSB "Initial release"    
PRD_000589 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000590
# 
_pdbx_reference_molecule.prd_id                       PRD_000590 
_pdbx_reference_molecule.name                         "N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H25 Cl N2 O2" 
_pdbx_reference_molecule.formula_weight               336.856 
_pdbx_reference_molecule.chem_comp_id                 16U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3dt0 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000590 
_pdbx_reference_entity_subcomponents.seq            "4MV PRO C2A" 
_pdbx_reference_entity_subcomponents.chem_comp_id   16U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000590 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000590 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000590 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000590 1 1 4MV .   N Y 
PRD_000590 1 2 PRO PRO N Y 
PRD_000590 1 3 C2A .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000590 1 1 1 C 4MV 1 N PRO 2 SING ? ? ? 
PRD_000590 1 1 2 C PRO 2 N C2A 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000590 2012-02-08 RCSB "Create molecule"    
PRD_000590 2012-05-01 RCSB "Other modification" 
PRD_000590 2012-07-09 PDBE "Other modification" 
PRD_000590 2012-12-12 RCSB "Initial release"    
PRD_000590 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000591
# 
_pdbx_reference_molecule.prd_id                       PRD_000591 
_pdbx_reference_molecule.name                         "1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C16 H22 Cl N3 O2" 
_pdbx_reference_molecule.formula_weight               323.818 
_pdbx_reference_molecule.chem_comp_id                 19U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2zfp 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000591 
_pdbx_reference_entity_subcomponents.seq            "DBB PRO C2A" 
_pdbx_reference_entity_subcomponents.chem_comp_id   19U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000591 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000591 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000591 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000591 1 1 DBB THR N Y 
PRD_000591 1 2 PRO PRO N Y 
PRD_000591 1 3 C2A .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000591 1 1 1 C DBB 1 N PRO 2 SING ? ? ? 
PRD_000591 1 1 2 C PRO 2 N C2A 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000591 2012-02-08 RCSB "Create molecule"    
PRD_000591 2012-05-01 RCSB "Other modification" 
PRD_000591 2012-07-09 PDBE "Other modification" 
PRD_000591 2012-12-12 RCSB "Initial release"    
PRD_000591 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000592
# 
_pdbx_reference_molecule.prd_id                       PRD_000592 
_pdbx_reference_molecule.name                         "D-leucyl-N-(3-chlorobenzyl)-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H26 Cl N3 O2" 
_pdbx_reference_molecule.formula_weight               351.871 
_pdbx_reference_molecule.chem_comp_id                 21U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2zgb 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000592 
_pdbx_reference_entity_subcomponents.seq            "DLE PRO C2A" 
_pdbx_reference_entity_subcomponents.chem_comp_id   21U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000592 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000592 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000592 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000592 1 1 DLE LEU N Y 
PRD_000592 1 2 PRO PRO N Y 
PRD_000592 1 3 C2A .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000592 1 1 1 C DLE 1 N PRO 2 SING ? ? ? 
PRD_000592 1 1 2 C PRO 2 N C2A 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000592 2012-02-08 RCSB "Create molecule"    
PRD_000592 2012-05-01 RCSB "Other modification" 
PRD_000592 2012-07-09 PDBE "Other modification" 
PRD_000592 2012-12-12 RCSB "Initial release"    
PRD_000592 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000593
# 
_pdbx_reference_molecule.prd_id                       PRD_000593 
_pdbx_reference_molecule.name                         "D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H24 Cl N3 O2" 
_pdbx_reference_molecule.formula_weight               385.887 
_pdbx_reference_molecule.chem_comp_id                 22U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2zc9 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000593 
_pdbx_reference_entity_subcomponents.seq            "DPN PRO C2A" 
_pdbx_reference_entity_subcomponents.chem_comp_id   22U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000593 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000593 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000593 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000593 1 1 DPN .   N Y 
PRD_000593 1 2 PRO PRO N Y 
PRD_000593 1 3 C2A .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000593 1 1 1 C DPN 1 N PRO 2 SING ? ? ? 
PRD_000593 1 1 2 C PRO 2 N C2A 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000593 2012-02-08 RCSB "Create molecule"    
PRD_000593 2012-05-01 RCSB "Other modification" 
PRD_000593 2012-07-09 PDBE "Other modification" 
PRD_000593 2012-12-12 RCSB "Initial release"    
PRD_000593 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000595
# 
_pdbx_reference_molecule.prd_id                       PRD_000595 
_pdbx_reference_molecule.name                         "1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C17 H24 N4 O2" 
_pdbx_reference_molecule.formula_weight               316.398 
_pdbx_reference_molecule.chem_comp_id                 24U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2zi2 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000595 
_pdbx_reference_entity_subcomponents.seq            "BUA PRO 00S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   24U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000595 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000595 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000595 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000595 1 1 BUA .   N Y 
PRD_000595 1 2 PRO PRO N Y 
PRD_000595 1 3 00S .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000595 1 1 1 C4 BUA 1 N   PRO 2 SING ? ? ? 
PRD_000595 1 1 2 C  PRO 2 N23 00S 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000595 2012-02-08 RCSB "Create molecule"    
PRD_000595 2012-05-01 RCSB "Other modification" 
PRD_000595 2012-07-09 PDBE "Other modification" 
PRD_000595 2012-12-12 RCSB "Initial release"    
PRD_000595 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000596
# 
_pdbx_reference_molecule.prd_id                       PRD_000596 
_pdbx_reference_molecule.name                         "N-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C19 H28 N4 O2" 
_pdbx_reference_molecule.formula_weight               344.451 
_pdbx_reference_molecule.chem_comp_id                 26U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2ziq 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000596 
_pdbx_reference_entity_subcomponents.seq            "4MV PRO 00S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   26U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000596 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000596 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000596 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000596 1 1 4MV .   N Y 
PRD_000596 1 2 PRO PRO N Y 
PRD_000596 1 3 00S .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000596 1 1 1 C 4MV 1 N   PRO 2 SING ? ? ? 
PRD_000596 1 1 2 C PRO 2 N23 00S 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000596 2012-02-08 RCSB "Create molecule"    
PRD_000596 2012-05-01 RCSB "Other modification" 
PRD_000596 2012-07-09 PDBE "Other modification" 
PRD_000596 2012-12-12 RCSB "Initial release"    
PRD_000596 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000597
# 
_pdbx_reference_molecule.prd_id                       PRD_000597 
_pdbx_reference_molecule.name                         "N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H26 N4 O2" 
_pdbx_reference_molecule.formula_weight               378.467 
_pdbx_reference_molecule.chem_comp_id                 27U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2zhq 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000597 
_pdbx_reference_entity_subcomponents.seq            "HCI PRO 00S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   27U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000597 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000597 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000597 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000597 1 1 HCI .   N Y 
PRD_000597 1 2 PRO PRO N Y 
PRD_000597 1 3 00S .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000597 1 1 1 C1 HCI 1 N   PRO 2 SING ? ? ? 
PRD_000597 1 1 2 C  PRO 2 N23 00S 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000597 2012-02-08 RCSB "Create molecule"    
PRD_000597 2012-05-01 RCSB "Other modification" 
PRD_000597 2012-07-09 PDBE "Other modification" 
PRD_000597 2012-12-12 RCSB "Initial release"    
PRD_000597 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000598
# 
_pdbx_reference_molecule.prd_id                       PRD_000598 
_pdbx_reference_molecule.name                         "1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C17 H25 N5 O2" 
_pdbx_reference_molecule.formula_weight               331.413 
_pdbx_reference_molecule.chem_comp_id                 29U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2zgx 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000598 
_pdbx_reference_entity_subcomponents.seq            "ABA PRO 00S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   29U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000598 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000598 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000598 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000598 1 1 ABA ALA N Y 
PRD_000598 1 2 PRO PRO N Y 
PRD_000598 1 3 00S .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000598 1 1 1 C ABA 1 N   PRO 2 SING ? ? ? 
PRD_000598 1 1 2 C PRO 2 N23 00S 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000598 2012-02-08 RCSB "Create molecule"    
PRD_000598 2012-05-01 RCSB "Other modification" 
PRD_000598 2012-07-09 PDBE "Other modification" 
PRD_000598 2012-12-12 RCSB "Initial release"    
PRD_000598 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000599
# 
_pdbx_reference_molecule.prd_id                       PRD_000599 
_pdbx_reference_molecule.name                         "D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C19 H29 N5 O2" 
_pdbx_reference_molecule.formula_weight               359.466 
_pdbx_reference_molecule.chem_comp_id                 31U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2znk 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000599 
_pdbx_reference_entity_subcomponents.seq            "DLE PRO 00S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   31U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000599 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000599 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000599 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000599 1 1 DLE LEU N Y 
PRD_000599 1 2 PRO PRO N Y 
PRD_000599 1 3 00S .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000599 1 1 1 C DLE 1 N   PRO 2 SING ? ? ? 
PRD_000599 1 1 2 C PRO 2 N23 00S 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000599 2012-02-08 RCSB "Create molecule"    
PRD_000599 2012-05-01 RCSB "Other modification" 
PRD_000599 2012-07-09 PDBE "Other modification" 
PRD_000599 2012-12-12 RCSB "Initial release"    
PRD_000599 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000600
# 
_pdbx_reference_molecule.prd_id                       PRD_000600 
_pdbx_reference_molecule.name                         "D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H28 N5 O2" 
_pdbx_reference_molecule.formula_weight               394.490 
_pdbx_reference_molecule.chem_comp_id                 32U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2zda 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000600 
_pdbx_reference_entity_subcomponents.seq            "DPN PRO 00S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   32U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000600 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000600 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000600 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000600 1 1 DPN .   N Y 
PRD_000600 1 2 PRO PRO N Y 
PRD_000600 1 3 00S .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000600 1 1 1 C PRO 2 N23 00S 3 SING ? ? ? 
PRD_000600 1 1 2 C DPN 1 N   PRO 2 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000600 2012-02-08 RCSB "Create molecule"    
PRD_000600 2012-05-01 RCSB "Other modification" 
PRD_000600 2012-07-09 PDBE "Other modification" 
PRD_000600 2012-12-12 RCSB "Initial release"    
PRD_000600 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000601
# 
_pdbx_reference_molecule.prd_id                       PRD_000601 
_pdbx_reference_molecule.name                         "beta-phenyl-D-phenylalanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H31 N5 O2" 
_pdbx_reference_molecule.formula_weight               469.578 
_pdbx_reference_molecule.chem_comp_id                 33U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2zo3 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000601 
_pdbx_reference_entity_subcomponents.seq            "00O PRO 00S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   33U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000601 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000601 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000601 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000601 1 1 00O .   N Y 
PRD_000601 1 2 PRO PRO N Y 
PRD_000601 1 3 00S .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000601 1 1 1 C 00O 1 N   PRO 2 SING ? ? ? 
PRD_000601 1 1 2 C PRO 2 N23 00S 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000601 2012-02-08 RCSB "Create molecule"    
PRD_000601 2012-05-01 RCSB "Other modification" 
PRD_000601 2012-07-09 PDBE "Other modification" 
PRD_000601 2012-12-12 RCSB "Initial release"    
PRD_000601 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000602
# 
_pdbx_reference_molecule.prd_id                       PRD_000602 
_pdbx_reference_molecule.name                         "D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H24 F N3 O2" 
_pdbx_reference_molecule.formula_weight               369.433 
_pdbx_reference_molecule.chem_comp_id                 37U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2zdv 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000602 
_pdbx_reference_entity_subcomponents.seq            "DPN PRO ZDV" 
_pdbx_reference_entity_subcomponents.chem_comp_id   37U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000602 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000602 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000602 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000602 1 1 DPN .   N Y 
PRD_000602 1 2 PRO PRO N Y 
PRD_000602 1 3 ZDV .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000602 1 1 1 C PRO 2 N9 ZDV 3 SING ? ? ? 
PRD_000602 1 1 2 C DPN 1 N  PRO 2 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000602 2012-02-08 RCSB "Create molecule"    
PRD_000602 2012-05-01 RCSB "Other modification" 
PRD_000602 2012-07-09 PDBE "Other modification" 
PRD_000602 2012-12-12 RCSB "Initial release"    
PRD_000602 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000604
# 
_pdbx_reference_molecule.prd_id                       PRD_000604 
_pdbx_reference_molecule.name                         "(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H28 N4 O3" 
_pdbx_reference_molecule.formula_weight               372.461 
_pdbx_reference_molecule.chem_comp_id                 45U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2zdl 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000604 
_pdbx_reference_entity_subcomponents.seq            "01Y PRO 00S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   45U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000604 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000604 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000604 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000604 1 1 01Y .   N Y 
PRD_000604 1 2 PRO PRO N Y 
PRD_000604 1 3 00S .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000604 1 1 1 C   PRO 2 N23 00S 3 SING ? ? ? 
PRD_000604 1 1 2 C14 01Y 1 N   PRO 2 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000604 2012-02-08 RCSB "Create molecule"    
PRD_000604 2012-05-01 RCSB "Other modification" 
PRD_000604 2012-07-09 PDBE "Other modification" 
PRD_000604 2012-12-12 RCSB "Initial release"    
PRD_000604 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000605
# 
_pdbx_reference_molecule.prd_id                       PRD_000605 
_pdbx_reference_molecule.name                         "(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H30 N4 O3" 
_pdbx_reference_molecule.formula_weight               386.488 
_pdbx_reference_molecule.chem_comp_id                 46U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2zdm 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000605 
_pdbx_reference_entity_subcomponents.seq            "01Z PRO 00S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   46U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000605 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000605 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000605 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000605 1 1 01Z .   N Y 
PRD_000605 1 2 PRO PRO N Y 
PRD_000605 1 3 00S .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000605 1 1 1 C14 01Z 1 N   PRO 2 SING ? ? ? 
PRD_000605 1 1 2 C   PRO 2 N23 00S 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000605 2012-02-08 RCSB "Create molecule"    
PRD_000605 2012-05-01 RCSB "Other modification" 
PRD_000605 2012-07-09 PDBE "Other modification" 
PRD_000605 2012-12-12 RCSB "Initial release"    
PRD_000605 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000606
# 
_pdbx_reference_molecule.prd_id                       PRD_000606 
_pdbx_reference_molecule.name                         "(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H30 N4 O2" 
_pdbx_reference_molecule.formula_weight               370.489 
_pdbx_reference_molecule.chem_comp_id                 49U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2zhf 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000606 
_pdbx_reference_entity_subcomponents.seq            "3PA PRO 00S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   49U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000606 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000606 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000606 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000606 1 1 3PA .   N Y 
PRD_000606 1 2 PRO PRO N Y 
PRD_000606 1 3 00S .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000606 1 1 1 C   PRO 2 N23 00S 3 SING ? ? ? 
PRD_000606 1 1 2 C8A 3PA 1 N   PRO 2 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000606 2012-02-08 RCSB "Create molecule"    
PRD_000606 2012-05-01 RCSB "Other modification" 
PRD_000606 2012-07-09 PDBE "Other modification" 
PRD_000606 2012-12-12 RCSB "Initial release"    
PRD_000606 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000607
# 
_pdbx_reference_molecule.prd_id                       PRD_000607 
_pdbx_reference_molecule.name                         "(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H32 N4 O2" 
_pdbx_reference_molecule.formula_weight               384.515 
_pdbx_reference_molecule.chem_comp_id                 50U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2zdk 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000607 
_pdbx_reference_entity_subcomponents.seq            "CXP PRO 00S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   50U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000607 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000607 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000607 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000607 1 1 CXP .   N Y 
PRD_000607 1 2 PRO PRO N Y 
PRD_000607 1 3 00S .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000607 1 1 1 C  PRO 2 N23 00S 3 SING ? ? ? 
PRD_000607 1 1 2 C9 CXP 1 N   PRO 2 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000607 2012-02-08 RCSB "Create molecule"    
PRD_000607 2012-05-01 RCSB "Other modification" 
PRD_000607 2012-07-09 PDBE "Other modification" 
PRD_000607 2012-12-12 RCSB "Initial release"    
PRD_000607 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000608
# 
_pdbx_reference_molecule.prd_id                       PRD_000608 
_pdbx_reference_molecule.name                         "D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H27 N3 O2" 
_pdbx_reference_molecule.formula_weight               365.469 
_pdbx_reference_molecule.chem_comp_id                 51U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2zf0 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000608 
_pdbx_reference_entity_subcomponents.seq            "DPN PRO ZF0" 
_pdbx_reference_entity_subcomponents.chem_comp_id   51U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000608 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000608 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000608 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000608 1 1 DPN .   N Y 
PRD_000608 1 2 PRO PRO N Y 
PRD_000608 1 3 ZF0 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000608 1 1 1 C DPN 1 N  PRO 2 SING ? ? ? 
PRD_000608 1 1 2 C PRO 2 N3 ZF0 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000608 2012-02-08 RCSB "Create molecule"    
PRD_000608 2012-05-01 RCSB "Other modification" 
PRD_000608 2012-07-09 PDBE "Other modification" 
PRD_000608 2012-12-12 RCSB "Initial release"    
PRD_000608 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000609
# 
_pdbx_reference_molecule.prd_id                       PRD_000609 
_pdbx_reference_molecule.name                         D-phenylalanyl-N-benzyl-L-prolinamide 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H25 N3 O2" 
_pdbx_reference_molecule.formula_weight               351.442 
_pdbx_reference_molecule.chem_comp_id                 53U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2zff 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000609 
_pdbx_reference_entity_subcomponents.seq            "DPN PRO ABN" 
_pdbx_reference_entity_subcomponents.chem_comp_id   53U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000609 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000609 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000609 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000609 1 1 DPN .   N Y 
PRD_000609 1 2 PRO PRO N Y 
PRD_000609 1 3 ABN .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000609 1 1 1 C DPN 1 N PRO 2 SING ? ? ? 
PRD_000609 1 1 2 C PRO 2 N ABN 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000609 2012-02-08 RCSB "Create molecule"    
PRD_000609 2012-05-01 RCSB "Other modification" 
PRD_000609 2012-07-09 PDBE "Other modification" 
PRD_000609 2012-12-12 RCSB "Initial release"    
PRD_000609 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000610
# 
_pdbx_reference_molecule.prd_id                       PRD_000610 
_pdbx_reference_molecule.name                         "3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H30 Cl N3 O2" 
_pdbx_reference_molecule.formula_weight               391.935 
_pdbx_reference_molecule.chem_comp_id                 64U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3dux 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000610 
_pdbx_reference_entity_subcomponents.seq            "ZAL PRO C2A" 
_pdbx_reference_entity_subcomponents.chem_comp_id   64U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000610 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000610 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000610 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000610 1 1 ZAL ALA N Y 
PRD_000610 1 2 PRO PRO N Y 
PRD_000610 1 3 C2A .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000610 1 1 1 C ZAL 1 N PRO 2 SING ? ? ? 
PRD_000610 1 1 2 C PRO 2 N C2A 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000610 2012-02-08 RCSB "Create molecule"    
PRD_000610 2012-05-01 RCSB "Other modification" 
PRD_000610 2012-07-09 PDBE "Other modification" 
PRD_000610 2012-12-12 RCSB "Initial release"    
PRD_000610 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000611
# 
_pdbx_reference_molecule.prd_id                       PRD_000611 
_pdbx_reference_molecule.name                         "N-acetyl-3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H32 Cl N3 O3" 
_pdbx_reference_molecule.formula_weight               433.971 
_pdbx_reference_molecule.chem_comp_id                 91U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3f68 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000611 
_pdbx_reference_entity_subcomponents.seq            "ACE ZAL PRO C2A" 
_pdbx_reference_entity_subcomponents.chem_comp_id   91U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000611 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000611 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000611 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000611 1 1 ACE .   N Y 
PRD_000611 1 2 ZAL ALA N Y 
PRD_000611 1 3 PRO PRO N Y 
PRD_000611 1 4 C2A .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000611 1 1 1 C ACE 1 N ZAL 2 SING ? ? ? 
PRD_000611 1 1 2 C ZAL 2 N PRO 3 SING ? ? ? 
PRD_000611 1 1 3 C PRO 3 N C2A 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000611 2012-02-08 RCSB "Create molecule"    
PRD_000611 2012-05-01 RCSB "Other modification" 
PRD_000611 2012-07-09 PDBE "Other modification" 
PRD_000611 2012-12-12 RCSB "Initial release"    
PRD_000611 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000612
# 
_pdbx_reference_molecule.prd_id                       PRD_000612 
_pdbx_reference_molecule.name                         "N-(carboxymethyl)-3-cyclohexyl-D-alanyl-N-({4-[(E)-amino(imino)methyl]-1,3-thiazol-2-yl}methyl)-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H32 N6 O4 S" 
_pdbx_reference_molecule.formula_weight               464.582 
_pdbx_reference_molecule.chem_comp_id                 34P 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2feq 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000612 
_pdbx_reference_entity_subcomponents.seq            "01N PRO 02C" 
_pdbx_reference_entity_subcomponents.chem_comp_id   34P 
# 
_pdbx_reference_entity_list.prd_id          PRD_000612 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000612 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000612 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000612 1 1 01N .   N Y 
PRD_000612 1 2 PRO PRO N Y 
PRD_000612 1 3 02C .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000612 1 1 1 C PRO 2 N8 02C 3 SING ? ? ? 
PRD_000612 1 1 2 C 01N 1 N  PRO 2 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000612 2012-02-08 RCSB "Create molecule"    
PRD_000612 2012-05-01 RCSB "Other modification" 
PRD_000612 2012-07-09 PDBE "Other modification" 
PRD_000612 2012-12-12 RCSB "Initial release"    
PRD_000612 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000613
# 
_pdbx_reference_molecule.prd_id                       PRD_000613 
_pdbx_reference_molecule.name                         "N-(carboxymethyl)-3-cyclohexyl-D-alanyl-N-({5-[(E)-amino(imino)methyl]thien-2-yl}methyl)-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H33 N5 O4 S" 
_pdbx_reference_molecule.formula_weight               463.594 
_pdbx_reference_molecule.chem_comp_id                 3SP 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2fes 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000613 
_pdbx_reference_entity_subcomponents.seq            "01N PRO 02D" 
_pdbx_reference_entity_subcomponents.chem_comp_id   3SP 
# 
_pdbx_reference_entity_list.prd_id          PRD_000613 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000613 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000613 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000613 1 1 01N .   N Y 
PRD_000613 1 2 PRO PRO N Y 
PRD_000613 1 3 02D .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000613 1 1 1 C PRO 2 N10 02D 3 SING ? ? ? 
PRD_000613 1 1 2 C 01N 1 N   PRO 2 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000613 2012-02-08 RCSB "Create molecule"    
PRD_000613 2012-05-01 RCSB "Other modification" 
PRD_000613 2012-07-09 PDBE "Other modification" 
PRD_000613 2012-12-12 RCSB "Initial release"    
PRD_000613 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000616
# 
_pdbx_reference_molecule.prd_id                       PRD_000616 
_pdbx_reference_molecule.name                         3-cyclohexyl-D-alanyl-L-prolyl-N~2~-methyl-L-arginine 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H38 N6 O4" 
_pdbx_reference_molecule.formula_weight               438.564 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1eb1 
# 
_pdbx_reference_entity_list.prd_id          PRD_000616 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "N-METHYL-ARGININE INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000616 1 1 C ZAL 1 N PRO 2 sing 1 ? ? ? 
PRD_000616 1 2 C PRO 2 N MMO 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000616 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000616 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000616 1 1 ZAL ALA N Y 
PRD_000616 1 2 PRO PRO N Y 
PRD_000616 1 3 MMO ARG N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000616 2012-02-01 RCSB "Create molecule"    
PRD_000616 2012-07-09 PDBE "Other modification" 
PRD_000616 2012-12-12 RCSB "Initial release"    
PRD_000616 2013-06-03 RCSB "Other modification" 
PRD_000616 2020-07-29 RCSB "Other modification" 
PRD_000616 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000617
# 
_pdbx_reference_molecule.prd_id                       PRD_000617 
_pdbx_reference_molecule.name                         MOL-106 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H44 N6 O4" 
_pdbx_reference_molecule.formula_weight               528.687 
_pdbx_reference_molecule.chem_comp_id                 00K 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1a46 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000617 
_pdbx_reference_entity_subcomponents.seq            "00U 00V ANL" 
_pdbx_reference_entity_subcomponents.chem_comp_id   00K 
# 
_pdbx_reference_entity_list.prd_id          PRD_000617 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000617 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000617 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000617 1 1 00U . N Y 
PRD_000617 1 2 00V . N Y 
PRD_000617 1 3 ANL . N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000617 1 1 1 C8 00U 1 N 00V 2 SING ? ? ? 
PRD_000617 1 1 2 CX 00V 2 N ANL 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000617 2012-02-08 RCSB "Create molecule"    
PRD_000617 2012-05-01 RCSB "Other modification" 
PRD_000617 2012-07-09 PDBE "Other modification" 
PRD_000617 2012-12-12 RCSB "Initial release"    
PRD_000617 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000618
# 
_pdbx_reference_molecule.prd_id                       PRD_000618 
_pdbx_reference_molecule.name                         MOL-126 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H42 N8 O4" 
_pdbx_reference_molecule.formula_weight               578.706 
_pdbx_reference_molecule.chem_comp_id                 00L 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1a5g 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000618 
_pdbx_reference_entity_subcomponents.seq            "00U 00W PEA" 
_pdbx_reference_entity_subcomponents.chem_comp_id   00L 
# 
_pdbx_reference_entity_list.prd_id          PRD_000618 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000618 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000618 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000618 1 1 00U . N Y 
PRD_000618 1 2 00W . N Y 
PRD_000618 1 3 PEA . N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000618 1 1 1 C8 00U 1 N 00W 2 SING ? ? ? 
PRD_000618 1 1 2 CX 00W 2 N PEA 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000618 2012-02-08 RCSB "Create molecule"    
PRD_000618 2012-05-01 RCSB "Other modification" 
PRD_000618 2012-07-09 PDBE "Other modification" 
PRD_000618 2012-12-12 RCSB "Initial release"    
PRD_000618 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000619
# 
_pdbx_reference_molecule.prd_id                       PRD_000619 
_pdbx_reference_molecule.name                         MOL-127 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H34 N8 O3 S" 
_pdbx_reference_molecule.formula_weight               514.644 
_pdbx_reference_molecule.chem_comp_id                 00N 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1a61 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000619 
_pdbx_reference_entity_subcomponents.seq            "00U 00Y" 
_pdbx_reference_entity_subcomponents.chem_comp_id   00N 
# 
_pdbx_reference_entity_list.prd_id          PRD_000619 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000619 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000619 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000619 1 1 00U . N Y 
PRD_000619 1 2 00Y . N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_000619 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          C8 
_pdbx_reference_entity_poly_link.comp_id_1          00U 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          N 
_pdbx_reference_entity_poly_link.comp_id_2          00Y 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000619 2012-02-08 RCSB "Create molecule"    
PRD_000619 2012-05-01 RCSB "Other modification" 
PRD_000619 2012-07-09 PDBE "Other modification" 
PRD_000619 2012-12-12 RCSB "Initial release"    
PRD_000619 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000621
# 
_pdbx_reference_molecule.prd_id                       PRD_000621 
_pdbx_reference_molecule.name                         RWJ-30353 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H35 N7 O3 S" 
_pdbx_reference_molecule.formula_weight               537.677 
_pdbx_reference_molecule.chem_comp_id                 00Q 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1tbz 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000621 
_pdbx_reference_entity_subcomponents.seq            "DPN PRO THZ" 
_pdbx_reference_entity_subcomponents.chem_comp_id   00Q 
# 
_pdbx_reference_entity_list.prd_id          PRD_000621 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000621 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000621 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000621 1 1 DPN .   N Y 
PRD_000621 1 2 PRO PRO N Y 
PRD_000621 1 3 THZ ARG N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000621 1 1 1 C PRO 2 NY THZ 3 SING ? ? ? 
PRD_000621 1 1 2 C DPN 1 N  PRO 2 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000621 2012-02-08 RCSB "Create molecule"    
PRD_000621 2012-05-01 RCSB "Other modification" 
PRD_000621 2012-07-09 PDBE "Other modification" 
PRD_000621 2012-12-12 RCSB "Initial release"    
PRD_000621 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000622
# 
_pdbx_reference_molecule.prd_id                       PRD_000622 
_pdbx_reference_molecule.name                         RWJ-50215 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H40 N7 O4 S2" 
_pdbx_reference_molecule.formula_weight               614.802 
_pdbx_reference_molecule.chem_comp_id                 QWE 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1a4w 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000622 
_pdbx_reference_entity_subcomponents.seq            "ANS ARG 5TP" 
_pdbx_reference_entity_subcomponents.chem_comp_id   QWE 
# 
_pdbx_reference_entity_list.prd_id          PRD_000622 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000622 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000622 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000622 1 1 ANS .   N Y 
PRD_000622 1 2 ARG ARG N Y 
PRD_000622 1 3 5TP .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000622 1 1 1 S ANS 1 N   ARG 2 SING ? ? ? 
PRD_000622 1 1 2 C ARG 2 N11 5TP 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000622 2012-02-08 RCSB "Create molecule"    
PRD_000622 2012-05-01 RCSB "Other modification" 
PRD_000622 2012-07-09 PDBE "Other modification" 
PRD_000622 2012-12-12 RCSB "Initial release"    
PRD_000622 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000623
# 
_pdbx_reference_molecule.prd_id                       PRD_000623 
_pdbx_reference_molecule.name                         RWJ-51438 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H35 N7 O5 S" 
_pdbx_reference_molecule.formula_weight               593.697 
_pdbx_reference_molecule.chem_comp_id                 1Z0 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1doj 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000623 
_pdbx_reference_entity_subcomponents.seq            "ZAE PRO AR2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   1Z0 
# 
_pdbx_reference_entity_list.prd_id          PRD_000623 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000623 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000623 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000623 1 1 ZAE .   N Y 
PRD_000623 1 2 PRO PRO N Y 
PRD_000623 1 3 AR2 ARG N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000623 1 1 1 C ZAE 1 N PRO 2 SING ? ? ? 
PRD_000623 1 1 2 C PRO 2 N AR2 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000623 2012-02-08 RCSB "Create molecule"    
PRD_000623 2012-05-01 RCSB "Other modification" 
PRD_000623 2012-07-09 PDBE "Other modification" 
PRD_000623 2012-12-12 RCSB "Initial release"    
PRD_000623 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000628
# 
_pdbx_reference_molecule.prd_id                       PRD_000628 
_pdbx_reference_molecule.name                         "[N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-PIPERIDINE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Trypsin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H39 N5 O7 S" 
_pdbx_reference_molecule.formula_weight               601.714 
_pdbx_reference_molecule.chem_comp_id                 CCR 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1k1n 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000628 
_pdbx_reference_entity_subcomponents.seq            "02B ASP APH PIP" 
_pdbx_reference_entity_subcomponents.chem_comp_id   CCR 
# 
_pdbx_reference_entity_list.prd_id          PRD_000628 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000628 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000628 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000628 1 1 02B .   N Y 
PRD_000628 1 2 ASP ASP N Y 
PRD_000628 1 3 APH ALA N Y 
PRD_000628 1 4 PIP .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000628 1 1 1 C   ASP 2 N  APH 3 SING ? ? ? 
PRD_000628 1 1 2 C   APH 3 N1 PIP 4 SING ? ? ? 
PRD_000628 1 1 3 S20 02B 1 N  ASP 2 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000628 2012-02-08 RCSB "Create molecule"    
PRD_000628 2012-05-01 RCSB "Other modification" 
PRD_000628 2012-07-09 PDBE "Other modification" 
PRD_000628 2012-12-12 RCSB "Initial release"    
PRD_000628 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000630
# 
_pdbx_reference_molecule.prd_id                       PRD_000630 
_pdbx_reference_molecule.name                         "SUCCINATE-DERIVED PHOSPHOTYROSINE FLEXIBLE AC-PY-Q-N-NH2 TRIPEPTIDE MIMIC" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H31 N6 O10 P" 
_pdbx_reference_molecule.formula_weight               558.479 
_pdbx_reference_molecule.chem_comp_id                 FYQ 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3imd 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000630 
_pdbx_reference_entity_subcomponents.seq            "FY0 GLN ASN NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   FYQ 
# 
_pdbx_reference_entity_list.prd_id          PRD_000630 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000630 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000630 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000630 1 1 FY0 .   N Y 
PRD_000630 1 2 GLN GLN N Y 
PRD_000630 1 3 ASN ASN N Y 
PRD_000630 1 4 NH2 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000630 1 1 1 C9 FY0 1 N GLN 2 SING ? ? ? 
PRD_000630 1 1 2 C  GLN 2 N ASN 3 SING ? ? ? 
PRD_000630 1 1 3 C  ASN 3 N NH2 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000630 2012-02-08 RCSB "Create molecule"    
PRD_000630 2012-05-01 RCSB "Other modification" 
PRD_000630 2012-07-09 PDBE "Other modification" 
PRD_000630 2012-12-12 RCSB "Initial release"    
PRD_000630 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000632
# 
_pdbx_reference_molecule.prd_id                       PRD_000632 
_pdbx_reference_molecule.name                         "CYCLOPROPYL-CONSTRAINED AC-PTYR-ILE-ASN-NH2 TRIPEPTIDE MIMIC" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H32 N5 O9 P" 
_pdbx_reference_molecule.formula_weight               541.491 
_pdbx_reference_molecule.chem_comp_id                 AYI 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3imj 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000632 
_pdbx_reference_entity_subcomponents.seq            "AY0 ILE ASN NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   AYI 
# 
_pdbx_reference_entity_list.prd_id          PRD_000632 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000632 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000632 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000632 1 1 AY0 .   N Y 
PRD_000632 1 2 ILE ILE N Y 
PRD_000632 1 3 ASN ASN N Y 
PRD_000632 1 4 NH2 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000632 1 1 1 C   ILE 2 N ASN 3 SING ? ? ? 
PRD_000632 1 1 2 CBB AY0 1 N ILE 2 SING ? ? ? 
PRD_000632 1 1 3 CG  ASN 3 N NH2 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000632 2012-02-08 RCSB "Create molecule"    
PRD_000632 2012-05-01 RCSB "Other modification" 
PRD_000632 2012-07-09 PDBE "Other modification" 
PRD_000632 2012-12-12 RCSB "Initial release"    
PRD_000632 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000633
# 
_pdbx_reference_molecule.prd_id                       PRD_000633 
_pdbx_reference_molecule.name                         "CYCLOPROPYL-CONSTRAINED AC-PY-Q-N-NH2 TRIPEPTIDE MIMIC" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H29 N6 O10 P" 
_pdbx_reference_molecule.formula_weight               556.463 
_pdbx_reference_molecule.chem_comp_id                 AYQ 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3in7 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000633 
_pdbx_reference_entity_subcomponents.seq            "AY0 GLN ASN NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   AYQ 
# 
_pdbx_reference_entity_list.prd_id          PRD_000633 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000633 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000633 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000633 1 1 AY0 .   N Y 
PRD_000633 1 2 GLN GLN N Y 
PRD_000633 1 3 ASN ASN N Y 
PRD_000633 1 4 NH2 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000633 1 1 1 CBB AY0 1 N GLN 2 SING ? ? ? 
PRD_000633 1 1 2 C   GLN 2 N ASN 3 SING ? ? ? 
PRD_000633 1 1 3 C   ASN 3 N NH2 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000633 2012-02-08 RCSB "Create molecule"    
PRD_000633 2012-05-01 RCSB "Other modification" 
PRD_000633 2012-07-09 PDBE "Other modification" 
PRD_000633 2012-12-12 RCSB "Initial release"    
PRD_000633 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000634
# 
_pdbx_reference_molecule.prd_id                       PRD_000634 
_pdbx_reference_molecule.name                         "AC-PTYR-ILE-ASN-NH2 TRIPEPTIDE MIMIC" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H34 N5 O9 P" 
_pdbx_reference_molecule.formula_weight               543.507 
_pdbx_reference_molecule.chem_comp_id                 FYI 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3in8 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000634 
_pdbx_reference_entity_subcomponents.seq            "FY0 ILE ASN NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   FYI 
# 
_pdbx_reference_entity_list.prd_id          PRD_000634 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000634 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000634 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000634 1 1 FY0 .   N Y 
PRD_000634 1 2 ILE ILE N Y 
PRD_000634 1 3 ASN ASN N Y 
PRD_000634 1 4 NH2 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000634 1 1 1 C9 FY0 1 N ILE 2 SING ? ? ? 
PRD_000634 1 1 2 C  ILE 2 N ASN 3 SING ? ? ? 
PRD_000634 1 1 3 C  ASN 3 N NH2 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000634 2012-02-08 RCSB "Create molecule"    
PRD_000634 2012-05-01 RCSB "Other modification" 
PRD_000634 2012-07-09 PDBE "Other modification" 
PRD_000634 2012-12-12 RCSB "Initial release"    
PRD_000634 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000635
# 
_pdbx_reference_molecule.prd_id                       PRD_000635 
_pdbx_reference_molecule.name                         "AC-PY-E-N-NH2 TRIPEPTIDE MIMIC" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H30 N5 O11 P" 
_pdbx_reference_molecule.formula_weight               559.464 
_pdbx_reference_molecule.chem_comp_id                 YEN 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3kfj 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000635 
_pdbx_reference_entity_subcomponents.seq            "FY0 GLU ASN NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   YEN 
# 
_pdbx_reference_entity_list.prd_id          PRD_000635 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000635 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000635 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000635 1 1 FY0 .   N Y 
PRD_000635 1 2 GLU GLU N Y 
PRD_000635 1 3 ASN ASN N Y 
PRD_000635 1 4 NH2 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000635 1 1 1 C9 FY0 1 N GLU 2 SING ? ? ? 
PRD_000635 1 1 2 C  GLU 2 N ASN 3 SING ? ? ? 
PRD_000635 1 1 3 C  ASN 3 N NH2 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000635 2012-02-08 RCSB "Create molecule"    
PRD_000635 2012-05-01 RCSB "Other modification" 
PRD_000635 2012-07-09 PDBE "Other modification" 
PRD_000635 2012-12-12 RCSB "Initial release"    
PRD_000635 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000638
# 
_pdbx_reference_molecule.prd_id                       PRD_000638 
_pdbx_reference_molecule.name                         PHOSPHORAMIDON 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Glycopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H34 N3 O10 P" 
_pdbx_reference_molecule.formula_weight               543.504 
_pdbx_reference_molecule.chem_comp_id                 RDF 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1tlp 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000638 
_pdbx_reference_entity_subcomponents.seq            "RHA LEU TRP" 
_pdbx_reference_entity_subcomponents.chem_comp_id   RDF 
# 
_pdbx_reference_entity_list.prd_id          PRD_000638 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000638 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 67367 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces tanashiensis MD706-Y4" 
_pdbx_reference_entity_src_nat.source                PubMed 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000638 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000638 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000638 1 1 RHA .   N Y 
PRD_000638 1 2 LEU LEU N Y 
PRD_000638 1 3 TRP TRP N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000638 1 1 1 P RHA 1 N LEU 2 SING ? ? ? 
PRD_000638 1 1 2 C LEU 2 N TRP 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000638 2012-02-08 RCSB "Create molecule"    
PRD_000638 2012-05-01 RCSB "Other modification" 
PRD_000638 2012-07-09 PDBE "Other modification" 
PRD_000638 2012-12-12 RCSB "Initial release"    
PRD_000638 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000639
# 
_pdbx_reference_molecule.prd_id                       PRD_000639 
_pdbx_reference_molecule.name                         "bis-trifluoromethyl pepstatin A ester analogue" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H47 F6 N5 O9" 
_pdbx_reference_molecule.formula_weight               723.702 
_pdbx_reference_molecule.chem_comp_id                 5FE 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1xe5 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000639 
_pdbx_reference_entity_subcomponents.seq            "IVA VAL VAL F3T ALA F3M" 
_pdbx_reference_entity_subcomponents.chem_comp_id   5FE 
# 
_pdbx_reference_entity_list.prd_id          PRD_000639 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000639 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000639 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000639 1 1 IVA .   N Y 
PRD_000639 1 2 VAL VAL N Y 
PRD_000639 1 3 VAL VAL N Y 
PRD_000639 1 4 F3T .   N Y 
PRD_000639 1 5 ALA ALA N Y 
PRD_000639 1 6 F3M .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000639 1 1 1 C  ALA 5 N F3M 6 SING ? ? ? 
PRD_000639 1 1 2 C1 F3T 4 N ALA 5 SING ? ? ? 
PRD_000639 1 1 3 C  VAL 3 N F3T 4 SING ? ? ? 
PRD_000639 1 1 4 C  VAL 2 N VAL 3 SING ? ? ? 
PRD_000639 1 1 5 C  IVA 1 N VAL 2 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000639 2012-02-08 RCSB "Create molecule"    
PRD_000639 2012-05-01 RCSB "Other modification" 
PRD_000639 2012-07-09 PDBE "Other modification" 
PRD_000639 2012-12-12 RCSB "Initial release"    
PRD_000639 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000640
# 
_pdbx_reference_molecule.prd_id                       PRD_000640 
_pdbx_reference_molecule.name                         "bis-trifluoromethyl pepstatin A acid analogue" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H45 F6 N5 O9" 
_pdbx_reference_molecule.formula_weight               709.675 
_pdbx_reference_molecule.chem_comp_id                 5FP 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1xe6 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000640 
_pdbx_reference_entity_subcomponents.seq            "IVA VAL VAL F3T ALA F3T" 
_pdbx_reference_entity_subcomponents.chem_comp_id   5FP 
# 
_pdbx_reference_entity_list.prd_id          PRD_000640 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000640 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000640 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000640 1 1 IVA .   N Y 
PRD_000640 1 2 VAL VAL N Y 
PRD_000640 1 3 VAL VAL N Y 
PRD_000640 1 4 F3T .   N Y 
PRD_000640 1 5 ALA ALA N Y 
PRD_000640 1 6 F3T .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000640 1 1 1 C  ALA 5 N F3T 6 SING ? ? ? 
PRD_000640 1 1 2 C1 F3T 4 N ALA 5 SING ? ? ? 
PRD_000640 1 1 3 C  VAL 3 N F3T 4 SING ? ? ? 
PRD_000640 1 1 4 C  VAL 2 N VAL 3 SING ? ? ? 
PRD_000640 1 1 5 C  IVA 1 N VAL 2 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000640 2012-02-08 RCSB "Create molecule"    
PRD_000640 2012-05-01 RCSB "Other modification" 
PRD_000640 2012-07-09 PDBE "Other modification" 
PRD_000640 2012-12-12 RCSB "Initial release"    
PRD_000640 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000641
# 
_pdbx_reference_molecule.prd_id                       PRD_000641 
_pdbx_reference_molecule.name                         "INHIBITOR ARC-1012" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Non-polymer 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C40 H70 N18 O9" 
_pdbx_reference_molecule.formula_weight               947.099 
_pdbx_reference_molecule.chem_comp_id                 A02 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3ag9 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000641 
_pdbx_reference_entity_subcomponents.seq            "44A ACA DLY ACA DAR DAR NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   A02 
# 
_pdbx_reference_entity_list.prd_id          PRD_000641 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000641 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000641 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000641 1 1 44A .   N Y 
PRD_000641 1 2 ACA .   N Y 
PRD_000641 1 3 DLY LYS N Y 
PRD_000641 1 4 ACA .   N Y 
PRD_000641 1 5 DAR ARG N Y 
PRD_000641 1 6 DAR ARG N Y 
PRD_000641 1 7 NH2 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000641 1 1 1 CCC 44A 1 N ACA 2 SING ? ? ? 
PRD_000641 1 1 2 C   ACA 2 N DLY 3 SING ? ? ? 
PRD_000641 1 1 3 C   DLY 3 N ACA 4 SING ? ? ? 
PRD_000641 1 1 4 C   ACA 4 N DAR 5 SING ? ? ? 
PRD_000641 1 1 5 C   DAR 5 N DAR 6 SING ? ? ? 
PRD_000641 1 1 6 C   DAR 6 N NH2 7 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000641 2012-02-08 RCSB "Create molecule"    
PRD_000641 2012-05-01 RCSB "Other modification" 
PRD_000641 2012-07-09 PDBE "Other modification" 
PRD_000641 2012-12-12 RCSB "Initial release"    
PRD_000641 2023-09-20 PDBE "Modify audit"       
PRD_000641 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000642
# 
_pdbx_reference_molecule.prd_id                       PRD_000642 
_pdbx_reference_molecule.name                         ARC-1039 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Non-polymer 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C37 H63 N17 O9" 
_pdbx_reference_molecule.formula_weight               890.005 
_pdbx_reference_molecule.chem_comp_id                 A03 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3agl 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000642 
_pdbx_reference_entity_subcomponents.seq            "44A ACA DAL ACA DAR DAR NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   A03 
# 
_pdbx_reference_entity_list.prd_id          PRD_000642 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000642 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000642 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000642 1 1 44A .   N Y 
PRD_000642 1 2 ACA .   N Y 
PRD_000642 1 3 DAL ALA N Y 
PRD_000642 1 4 ACA .   N Y 
PRD_000642 1 5 DAR ARG N Y 
PRD_000642 1 6 DAR ARG N Y 
PRD_000642 1 7 NH2 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000642 1 1 1 CCC 44A 1 N ACA 2 SING ? ? ? 
PRD_000642 1 1 2 C   ACA 2 N DAL 3 SING ? ? ? 
PRD_000642 1 1 3 C   DAL 3 N ACA 4 SING ? ? ? 
PRD_000642 1 1 4 C   ACA 4 N DAR 5 SING ? ? ? 
PRD_000642 1 1 5 C   DAR 5 N DAR 6 SING ? ? ? 
PRD_000642 1 1 6 C   DAR 6 N NH2 7 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000642 2012-02-08 RCSB "Create molecule"    
PRD_000642 2012-05-01 RCSB "Other modification" 
PRD_000642 2012-07-09 PDBE "Other modification" 
PRD_000642 2012-12-12 RCSB "Initial release"    
PRD_000642 2023-09-20 PDBE "Modify audit"       
PRD_000642 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000645
# 
_pdbx_reference_molecule.prd_id                       PRD_000645 
_pdbx_reference_molecule.name                         ARC-1034 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Non-polymer 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H47 N15 O7" 
_pdbx_reference_molecule.formula_weight               705.769 
_pdbx_reference_molecule.chem_comp_id                 ARX 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3bwj 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000645 
_pdbx_reference_entity_subcomponents.seq            "44A ACA DAR DAR NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   ARX 
# 
_pdbx_reference_entity_list.prd_id          PRD_000645 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000645 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000645 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000645 1 1 44A .   N Y 
PRD_000645 1 2 ACA .   N Y 
PRD_000645 1 3 DAR ARG N Y 
PRD_000645 1 4 DAR ARG N Y 
PRD_000645 1 5 NH2 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000645 1 1 1 C   DAR 4 N NH2 5 SING ? ? ? 
PRD_000645 1 1 2 C   DAR 3 N DAR 4 SING ? ? ? 
PRD_000645 1 1 3 C   ACA 2 N DAR 3 SING ? ? ? 
PRD_000645 1 1 4 CCC 44A 1 N ACA 2 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000645 2012-02-08 RCSB "Create molecule"    
PRD_000645 2012-05-01 RCSB "Other modification" 
PRD_000645 2012-07-09 PDBE "Other modification" 
PRD_000645 2012-12-12 RCSB "Initial release"    
PRD_000645 2023-09-20 PDBE "Modify audit"       
PRD_000645 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000651
# 
_pdbx_reference_molecule.prd_id                       PRD_000651 
_pdbx_reference_molecule.name                         "N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-alanyl-L-leucine" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H28 N3 O7 P" 
_pdbx_reference_molecule.formula_weight               429.405 
_pdbx_reference_molecule.chem_comp_id                 UB2 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3fvp 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000651 
_pdbx_reference_entity_subcomponents.seq            "PHQ PGL ALA LEU" 
_pdbx_reference_entity_subcomponents.chem_comp_id   UB2 
# 
_pdbx_reference_entity_list.prd_id          PRD_000651 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000651 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000651 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000651 1 1 PHQ .   N Y 
PRD_000651 1 2 PGL .   N Y 
PRD_000651 1 3 ALA ALA N Y 
PRD_000651 1 4 LEU LEU N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000651 1 1 1 C1 PHQ 1 N PGL 2 SING ? ? ? 
PRD_000651 1 1 2 P  PGL 2 N ALA 3 SING ? ? ? 
PRD_000651 1 1 3 C  ALA 3 N LEU 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000651 2012-02-08 RCSB "Create molecule"    
PRD_000651 2012-05-01 RCSB "Other modification" 
PRD_000651 2012-07-09 PDBE "Other modification" 
PRD_000651 2012-12-12 RCSB "Initial release"    
PRD_000651 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000652
# 
_pdbx_reference_molecule.prd_id                       PRD_000652 
_pdbx_reference_molecule.name                         "N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-valyl-L-leucine" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H32 N3 O7 P" 
_pdbx_reference_molecule.formula_weight               457.458 
_pdbx_reference_molecule.chem_comp_id                 UB3 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3flf 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000652 
_pdbx_reference_entity_subcomponents.seq            "PHQ PGL VAL LEU" 
_pdbx_reference_entity_subcomponents.chem_comp_id   UB3 
# 
_pdbx_reference_entity_list.prd_id          PRD_000652 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000652 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000652 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000652 1 1 PHQ .   N Y 
PRD_000652 1 2 PGL .   N Y 
PRD_000652 1 3 VAL VAL N Y 
PRD_000652 1 4 LEU LEU N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000652 1 1 1 C1 PHQ 1 N PGL 2 SING ? ? ? 
PRD_000652 1 1 2 P  PGL 2 N VAL 3 SING ? ? ? 
PRD_000652 1 1 3 C  VAL 3 N LEU 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000652 2012-02-08 RCSB "Create molecule"    
PRD_000652 2012-05-01 RCSB "Other modification" 
PRD_000652 2012-07-09 PDBE "Other modification" 
PRD_000652 2012-12-12 RCSB "Initial release"    
PRD_000652 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000653
# 
_pdbx_reference_molecule.prd_id                       PRD_000653 
_pdbx_reference_molecule.name                         "N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-phenylalanyl-L-leucine" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H32 N3 O7 P" 
_pdbx_reference_molecule.formula_weight               505.501 
_pdbx_reference_molecule.chem_comp_id                 1U4 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3fv4 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000653 
_pdbx_reference_entity_subcomponents.seq            "PHQ PGL PHE LEU" 
_pdbx_reference_entity_subcomponents.chem_comp_id   1U4 
# 
_pdbx_reference_entity_list.prd_id          PRD_000653 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000653 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000653 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000653 1 1 PHQ .   N Y 
PRD_000653 1 2 PGL .   N Y 
PRD_000653 1 3 PHE PHE N Y 
PRD_000653 1 4 LEU LEU N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000653 1 1 1 C1 PHQ 1 N PGL 2 SING ? ? ? 
PRD_000653 1 1 2 P  PGL 2 N PHE 3 SING ? ? ? 
PRD_000653 1 1 3 C  PHE 3 N LEU 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000653 2012-02-08 RCSB "Create molecule"    
PRD_000653 2012-05-01 RCSB "Other modification" 
PRD_000653 2012-07-09 PDBE "Other modification" 
PRD_000653 2012-12-12 RCSB "Initial release"    
PRD_000653 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000654
# 
_pdbx_reference_molecule.prd_id                       PRD_000654 
_pdbx_reference_molecule.name                         "CBZ-GLY-P-LEU-LEU (ZGPLL)" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H34 N3 O7 P" 
_pdbx_reference_molecule.formula_weight               471.484 
_pdbx_reference_molecule.chem_comp_id                 0PJ 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4H57 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000654 
_pdbx_reference_entity_subcomponents.seq            "PHQ PGL LEU LEU" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0PJ 
# 
_pdbx_reference_entity_list.prd_id          PRD_000654 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000654 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000654 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000654 1 1 PHQ .   N Y 
PRD_000654 1 2 PGL .   N Y 
PRD_000654 1 3 LEU LEU N Y 
PRD_000654 1 4 LEU LEU N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000654 1 1 1 C1 PHQ 1 N PGL 2 SING ? ? ? 
PRD_000654 1 1 2 P  PGL 2 N LEU 3 SING ? ? ? 
PRD_000654 1 1 3 C  LEU 3 N LEU 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000654 2012-02-08 RCSB "Create molecule"    
PRD_000654 2012-05-01 RCSB "Other modification" 
PRD_000654 2012-07-09 PDBE "Other modification" 
PRD_000654 2012-10-04 RCSB "Other modification" 
PRD_000654 2012-12-12 RCSB "Initial release"    
PRD_000654 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000655
# 
_pdbx_reference_molecule.prd_id                       PRD_000655 
_pdbx_reference_molecule.name                         "CBZ-GLYP-(O)-LEU-LEU (ZGP(O)LL)" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H33 N2 O8 P" 
_pdbx_reference_molecule.formula_weight               472.469 
_pdbx_reference_molecule.chem_comp_id                 0PI 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6tmn 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000655 
_pdbx_reference_entity_subcomponents.seq            "PHQ PGL 1LU LEU" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0PI 
# 
_pdbx_reference_entity_list.prd_id          PRD_000655 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000655 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000655 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000655 1 1 PHQ .   N Y 
PRD_000655 1 2 PGL .   N Y 
PRD_000655 1 3 1LU .   N Y 
PRD_000655 1 4 LEU LEU N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000655 1 1 1 C1 PHQ 1 N  PGL 2 SING ? ? ? 
PRD_000655 1 1 2 P  PGL 2 OS 1LU 3 SING ? ? ? 
PRD_000655 1 1 3 C  1LU 3 N  LEU 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000655 2012-02-08 RCSB "Create molecule"    
PRD_000655 2012-05-01 RCSB "Other modification" 
PRD_000655 2012-07-09 PDBE "Other modification" 
PRD_000655 2012-12-12 RCSB "Initial release"    
PRD_000655 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000656
# 
_pdbx_reference_molecule.prd_id                       PRD_000656 
_pdbx_reference_molecule.name                         "CBZ-PHE-P-LEU-ALA (ZFPLA)" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H34 N3 O7 P" 
_pdbx_reference_molecule.formula_weight               519.527 
_pdbx_reference_molecule.chem_comp_id                 0PK 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4tmn 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000656 
_pdbx_reference_entity_subcomponents.seq            "PHQ PPH LEU ALA" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0PK 
# 
_pdbx_reference_entity_list.prd_id          PRD_000656 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000656 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000656 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000656 1 1 PHQ .   N Y 
PRD_000656 1 2 PPH .   N Y 
PRD_000656 1 3 LEU LEU N Y 
PRD_000656 1 4 ALA ALA N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000656 1 1 1 C1 PHQ 1 N PPH 2 SING ? ? ? 
PRD_000656 1 1 2 C  LEU 3 N ALA 4 SING ? ? ? 
PRD_000656 1 1 3 P  PPH 2 N LEU 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000656 2012-02-08 RCSB "Create molecule"    
PRD_000656 2012-05-01 RCSB "Other modification" 
PRD_000656 2012-07-09 PDBE "Other modification" 
PRD_000656 2012-09-06 RCSB "Other modification" 
PRD_000656 2012-12-12 RCSB "Initial release"    
PRD_000656 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000657
# 
_pdbx_reference_molecule.prd_id                       PRD_000657 
_pdbx_reference_molecule.name                         "IVA VAL VAL P0L ALA MA" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H60 N5 O10 P" 
_pdbx_reference_molecule.formula_weight               753.863 
_pdbx_reference_molecule.chem_comp_id                 HH0 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1qrp 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000657 
_pdbx_reference_entity_subcomponents.seq            "IVA VAL VAL P0L ALA MA" 
_pdbx_reference_entity_subcomponents.chem_comp_id   HH0 
# 
_pdbx_reference_entity_list.prd_id          PRD_000657 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000657 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000657 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000657 1 1 IVA .   N Y 
PRD_000657 1 2 VAL VAL N Y 
PRD_000657 1 3 VAL VAL N Y 
PRD_000657 1 4 P0L .   N Y 
PRD_000657 1 5 ALA ALA N Y 
PRD_000657 1 6 MA  ALA N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000657 1 1 1 C IVA 1 N VAL 2 SING ? ? ? 
PRD_000657 1 1 2 C VAL 2 N VAL 3 SING ? ? ? 
PRD_000657 1 1 3 C VAL 3 N P0L 4 SING ? ? ? 
PRD_000657 1 1 4 C P0L 4 N ALA 5 SING ? ? ? 
PRD_000657 1 1 5 C ALA 5 N MA  6 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000657 2012-02-08 RCSB "Create molecule"    
PRD_000657 2012-05-01 RCSB "Other modification" 
PRD_000657 2012-07-09 PDBE "Other modification" 
PRD_000657 2012-12-12 RCSB "Initial release"    
PRD_000657 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000659
# 
_pdbx_reference_molecule.prd_id                       PRD_000659 
_pdbx_reference_molecule.name                         "IVA-VAL-VAL-LEU(P)-(O)PHE-OME" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H50 N3 O8 P" 
_pdbx_reference_molecule.formula_weight               611.707 
_pdbx_reference_molecule.chem_comp_id                 1Z7 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1ppl 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000659 
_pdbx_reference_entity_subcomponents.seq            "IVA VAL VAL ZPH" 
_pdbx_reference_entity_subcomponents.chem_comp_id   1Z7 
# 
_pdbx_reference_entity_list.prd_id          PRD_000659 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000659 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000659 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000659 1 1 IVA .   N Y 
PRD_000659 1 2 VAL VAL N Y 
PRD_000659 1 3 VAL VAL N Y 
PRD_000659 1 4 ZPH .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000659 1 1 1 C IVA 1 N VAL 2 SING ? ? ? 
PRD_000659 1 1 2 C VAL 2 N VAL 3 SING ? ? ? 
PRD_000659 1 1 3 C VAL 3 N ZPH 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000659 2012-02-08 RCSB "Create molecule"    
PRD_000659 2012-05-01 RCSB "Other modification" 
PRD_000659 2012-07-09 PDBE "Other modification" 
PRD_000659 2012-12-12 RCSB "Initial release"    
PRD_000659 2013-02-26 RCSB "Other modification" 
PRD_000659 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000664
# 
_pdbx_reference_molecule.prd_id                       PRD_000664 
_pdbx_reference_molecule.name                         "isovaleryl (IVA)-VAL-VAL-STA(P)-O-ET phosphinic acid analogue of statin" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H46 N3 O7 P" 
_pdbx_reference_molecule.formula_weight               519.612 
_pdbx_reference_molecule.chem_comp_id                 IVV 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1ppk 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000664 
_pdbx_reference_entity_subcomponents.seq            "IVA VAL VAL PT0" 
_pdbx_reference_entity_subcomponents.chem_comp_id   IVV 
# 
_pdbx_reference_entity_list.prd_id          PRD_000664 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000664 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000664 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000664 1 1 IVA .   N Y 
PRD_000664 1 2 VAL VAL N Y 
PRD_000664 1 3 VAL VAL N Y 
PRD_000664 1 4 PT0 .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000664 1 1 1 C IVA 1 N VAL 2 SING ? ? ? 
PRD_000664 1 1 2 C VAL 2 N VAL 3 SING ? ? ? 
PRD_000664 1 1 3 C VAL 3 N PT0 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000664 2012-02-08 RCSB "Create molecule"    
PRD_000664 2012-05-01 RCSB "Other modification" 
PRD_000664 2012-07-09 PDBE "Other modification" 
PRD_000664 2012-12-12 RCSB "Initial release"    
PRD_000664 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000667
# 
_pdbx_reference_molecule.prd_id                       PRD_000667 
_pdbx_reference_molecule.name                         "N~2~-(benzylsulfonyl)-D-arginyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H36 Cl N7 O4 S" 
_pdbx_reference_molecule.formula_weight               578.127 
_pdbx_reference_molecule.chem_comp_id                 2TS 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3eq0 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000667 
_pdbx_reference_entity_subcomponents.seq            "PMS DAR PRO 00T" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2TS 
# 
_pdbx_reference_entity_list.prd_id          PRD_000667 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000667 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000667 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000667 1 1 PMS .   N Y 
PRD_000667 1 2 DAR ARG N Y 
PRD_000667 1 3 PRO PRO N Y 
PRD_000667 1 4 00T .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000667 1 1 1 S PMS 1 N   DAR 2 SING ? ? ? 
PRD_000667 1 1 2 C DAR 2 N   PRO 3 SING ? ? ? 
PRD_000667 1 1 3 C PRO 3 N19 00T 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000667 2012-02-08 RCSB "Create molecule"    
PRD_000667 2012-05-01 RCSB "Other modification" 
PRD_000667 2012-07-09 PDBE "Other modification" 
PRD_000667 2012-12-12 RCSB "Initial release"    
PRD_000667 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000668
# 
_pdbx_reference_molecule.prd_id                       PRD_000668 
_pdbx_reference_molecule.name                         "N~2~-{(2S)-3-[(R)-hydroxy{(1R)-2-phenyl-1-[(phenylacetyl)amino]ethyl}phosphoryl]-2-methylpropanoyl}-L-lysyl-D-serine" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H41 N4 O8 P" 
_pdbx_reference_molecule.formula_weight               604.632 
_pdbx_reference_molecule.chem_comp_id                 3A1 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3ahn 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000668 
_pdbx_reference_entity_subcomponents.seq            "PAC 00F LYS DSN" 
_pdbx_reference_entity_subcomponents.chem_comp_id   3A1 
# 
_pdbx_reference_entity_list.prd_id          PRD_000668 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000668 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000668 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000668 1 1 PAC .   N Y 
PRD_000668 1 2 00F .   N Y 
PRD_000668 1 3 LYS LYS N Y 
PRD_000668 1 4 DSN SER N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000668 1 1 1 C1  PAC 1 N13 00F 2 SING ? ? ? 
PRD_000668 1 1 2 C45 00F 2 N   LYS 3 SING ? ? ? 
PRD_000668 1 1 3 C   LYS 3 N   DSN 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000668 2012-02-08 RCSB "Create molecule"    
PRD_000668 2012-05-01 RCSB "Other modification" 
PRD_000668 2012-07-09 PDBE "Other modification" 
PRD_000668 2012-12-12 RCSB "Initial release"    
PRD_000668 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000669
# 
_pdbx_reference_molecule.prd_id                       PRD_000669 
_pdbx_reference_molecule.name                         "1-{3-[(R)-{(1R)-1-[(glycyl-L-prolyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]propanoyl}-L-prolyl-D-norleucine" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H44 N5 O8 P" 
_pdbx_reference_molecule.formula_weight               621.662 
_pdbx_reference_molecule.chem_comp_id                 3A2 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3aho 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000669 
_pdbx_reference_entity_subcomponents.seq            "GLY PRO 00H PRO DNE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   3A2 
# 
_pdbx_reference_entity_list.prd_id          PRD_000669 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000669 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000669 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000669 1 1 GLY GLY N Y 
PRD_000669 1 2 PRO PRO N Y 
PRD_000669 1 3 00H .   N Y 
PRD_000669 1 4 PRO PRO N Y 
PRD_000669 1 5 DNE LEU N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000669 1 1 1 C   GLY 1 N   PRO 2 SING ? ? ? 
PRD_000669 1 1 2 C   PRO 2 N12 00H 3 SING ? ? ? 
PRD_000669 1 1 3 C26 00H 3 N   PRO 4 SING ? ? ? 
PRD_000669 1 1 4 C   PRO 4 N   DNE 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000669 2012-02-08 RCSB "Create molecule"    
PRD_000669 2012-05-01 RCSB "Other modification" 
PRD_000669 2012-07-09 PDBE "Other modification" 
PRD_000669 2012-12-12 RCSB "Initial release"    
PRD_000669 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000670
# 
_pdbx_reference_molecule.prd_id                       PRD_000670 
_pdbx_reference_molecule.name                         "CBZ-GLU-VAL-azaASP-(S,S)EP-CO-NHCH2CH2Ph" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H42 N5 O11" 
_pdbx_reference_molecule.formula_weight               672.703 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2CNO 
# 
_pdbx_reference_entity_list.prd_id          PRD_000670 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000670 1 1 C1 PHQ 1 N GLU 2 sing 1 . . . 
PRD_000670 1 2 C  GLU 2 N VAL 3 sing 1 . . . 
PRD_000670 1 3 C  VAL 3 N MY0 4 sing 1 . . . 
PRD_000670 1 4 C  MY0 4 N PEA 5 sing 1 . . . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000670 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000670 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000670 1 1 PHQ .   N Y 
PRD_000670 1 2 GLU GLU N Y 
PRD_000670 1 3 VAL VAL N Y 
PRD_000670 1 4 MY0 .   N Y 
PRD_000670 1 5 PEA .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000670 2012-02-08 RCSB "Create molecule"    
PRD_000670 2012-05-01 RCSB "Other modification" 
PRD_000670 2012-07-09 PDBE "Other modification" 
PRD_000670 2012-12-12 RCSB "Initial release"    
PRD_000670 2023-09-20 PDBE "Modify audit"       
PRD_000670 2024-07-03 PDBE "Other modification" 
# 
data_PRD_000671
# 
_pdbx_reference_molecule.prd_id                       PRD_000671 
_pdbx_reference_molecule.name                         PHQ-ILE-GLU-THR-azaASP-EP-CO-ALA-NH-CH2-PH 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C39 H53 N7 O14" 
_pdbx_reference_molecule.formula_weight               843.877 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2cnn 
# 
_pdbx_reference_entity_list.prd_id          PRD_000671 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "AZA-PEPTIDE EXPOXIDE, PHQ-ILE-GLU-THR-AASP-EP-CO-ALA-NH-CH2-PH" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000671 1 1 C1 PHQ 1 N ILE 2 sing 1 ? ? ? 
PRD_000671 1 2 C  ILE 2 N GLU 3 sing 1 ? ? ? 
PRD_000671 1 3 C  GLU 3 N THR 4 sing 1 ? ? ? 
PRD_000671 1 4 C  THR 4 N MY0 5 sing 1 ? ? ? 
PRD_000671 1 5 C  MY0 5 N ALA 6 sing 1 ? ? ? 
PRD_000671 1 6 C  ALA 6 N ABN 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000671 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000671 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000671 1 1 PHQ ?   N Y 
PRD_000671 1 2 ILE ILE N Y 
PRD_000671 1 3 GLU GLU N Y 
PRD_000671 1 4 THR THR N Y 
PRD_000671 1 5 MY0 ?   N Y 
PRD_000671 1 6 ALA ALA N Y 
PRD_000671 1 7 ABN ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000671 2012-02-03 RCSB "Create molecule"    
PRD_000671 2012-07-09 PDBE "Other modification" 
PRD_000671 2012-12-12 RCSB "Initial release"    
PRD_000671 2023-09-20 PDBE "Modify audit"       
PRD_000671 2023-11-03 PDBE "Other modification" 
PRD_000671 2024-01-09 PDBE "Other modification" 
# 
data_PRD_000672
# 
_pdbx_reference_molecule.prd_id                       PRD_000672 
_pdbx_reference_molecule.name                         CBZ-ASP-GLU-VAL-azaASP-EP-CO-NH-CH2PH 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H44 N6 O14" 
_pdbx_reference_molecule.formula_weight               772.756 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2cnl 
# 
_pdbx_reference_entity_list.prd_id          PRD_000672 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "AZA-PEPTIDE EPOXIDE, CBZ-ASP-GLU-VAL-AASP-EP-CO-NH-CH2PH" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000672 1 1 C1 PHQ 1 N ASP 2 sing 1 ? ? ? 
PRD_000672 1 2 C  ASP 2 N GLU 3 sing 1 ? ? ? 
PRD_000672 1 3 C  GLU 3 N VAL 4 sing 1 ? ? ? 
PRD_000672 1 4 C  VAL 4 N MY3 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000672 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000672 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000672 1 1 PHQ ?   N Y 
PRD_000672 1 2 ASP ASP N Y 
PRD_000672 1 3 GLU GLU N Y 
PRD_000672 1 4 VAL VAL N Y 
PRD_000672 1 5 MY3 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000672 2012-02-03 RCSB "Create molecule"    
PRD_000672 2012-07-09 PDBE "Other modification" 
PRD_000672 2012-12-12 RCSB "Initial release"    
PRD_000672 2023-09-20 PDBE "Modify audit"       
PRD_000672 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000673
# 
_pdbx_reference_molecule.prd_id                       PRD_000673 
_pdbx_reference_molecule.name                         CBZ-ASP-GLU-VAL-azaASP-EP-COO-CH2PH 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H43 N5 O15" 
_pdbx_reference_molecule.formula_weight               773.740 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2cnk 
# 
_pdbx_reference_entity_list.prd_id          PRD_000673 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "AZA-PEPTIDE EXPOXIDE, CBZ-ASP-GLU-VAL-AASP-EP-COO-CH2PH" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000673 1 1 C1 PHQ 1 N ASP 2 sing 1 ? ? ? 
PRD_000673 1 2 C  ASP 2 N GLU 3 sing 1 ? ? ? 
PRD_000673 1 3 C  GLU 3 N VAL 4 sing 1 ? ? ? 
PRD_000673 1 4 C  VAL 4 N MY2 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000673 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000673 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000673 1 1 PHQ ?   N Y 
PRD_000673 1 2 ASP ASP N Y 
PRD_000673 1 3 GLU GLU N Y 
PRD_000673 1 4 VAL VAL N Y 
PRD_000673 1 5 MY2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000673 2012-02-03 RCSB "Create molecule"    
PRD_000673 2012-07-09 PDBE "Other modification" 
PRD_000673 2012-12-12 RCSB "Initial release"    
PRD_000673 2023-09-20 PDBE "Modify audit"       
PRD_000673 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000674
# 
_pdbx_reference_molecule.prd_id                       PRD_000674 
_pdbx_reference_molecule.name                         "CBZ-ASP-GLU-VAL-azaASP-EP-CO-N(CH2PH)2" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C42 H50 N6 O14" 
_pdbx_reference_molecule.formula_weight               862.878 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2cdr 
# 
_pdbx_reference_entity_list.prd_id          PRD_000674 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "AZA-PEPTIDE EXPOXIDE, CBZ-ASP-GLU-VAL-AASP-EP-CO-N(CH2PH)2" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000674 1 1 C1 PHQ 1 N ASP 2 sing 1 ? ? ? 
PRD_000674 1 2 C  ASP 2 N GLU 3 sing 1 ? ? ? 
PRD_000674 1 3 C  GLU 3 N VAL 4 sing 1 ? ? ? 
PRD_000674 1 4 C  VAL 4 N MY1 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000674 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000674 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000674 1 1 PHQ ?   N Y 
PRD_000674 1 2 ASP ASP N Y 
PRD_000674 1 3 GLU GLU N Y 
PRD_000674 1 4 VAL VAL N Y 
PRD_000674 1 5 MY1 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000674 2012-02-03 RCSB "Create molecule"    
PRD_000674 2012-07-09 PDBE "Other modification" 
PRD_000674 2012-12-12 RCSB "Initial release"    
PRD_000674 2023-09-20 PDBE "Modify audit"       
PRD_000674 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000675
# 
_pdbx_reference_molecule.prd_id                       PRD_000675 
_pdbx_reference_molecule.name                         AHM178 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H52 N4 O5 S" 
_pdbx_reference_molecule.formula_weight               544.791 
_pdbx_reference_molecule.chem_comp_id                 XLI 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3k5d 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000675 
_pdbx_reference_entity_subcomponents.seq            "ACE LEU MET 1OL LYT" 
_pdbx_reference_entity_subcomponents.chem_comp_id   XLI 
# 
_pdbx_reference_entity_list.prd_id          PRD_000675 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000675 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000675 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000675 1 1 ACE .   N Y 
PRD_000675 1 2 LEU LEU N Y 
PRD_000675 1 3 MET MET N Y 
PRD_000675 1 4 1OL .   N Y 
PRD_000675 1 5 LYT .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000675 1 1 1 C ACE 1 N LEU 2 SING ? ? ? 
PRD_000675 1 1 2 C LEU 2 N MET 3 SING ? ? ? 
PRD_000675 1 1 3 C MET 3 N 1OL 4 SING ? ? ? 
PRD_000675 1 1 4 C 1OL 4 N LYT 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000675 2012-02-08 RCSB "Create molecule"    
PRD_000675 2012-05-01 RCSB "Other modification" 
PRD_000675 2012-07-09 PDBE "Other modification" 
PRD_000675 2012-12-12 RCSB "Initial release"    
PRD_000675 2013-02-26 RCSB "Other modification" 
PRD_000675 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000691
# 
_pdbx_reference_molecule.prd_id                       PRD_000691 
_pdbx_reference_molecule.name                         "N-[(benzyloxy)carbonyl]glycyl-L-proline" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C15 H18 N2 O5" 
_pdbx_reference_molecule.formula_weight               306.314 
_pdbx_reference_molecule.chem_comp_id                 P0H 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1e8m 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000691 
_pdbx_reference_entity_subcomponents.seq            "PHQ GLY PRO" 
_pdbx_reference_entity_subcomponents.chem_comp_id   P0H 
# 
_pdbx_reference_entity_list.prd_id          PRD_000691 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000691 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000691 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000691 1 1 PHQ .   N Y 
PRD_000691 1 2 GLY GLY N Y 
PRD_000691 1 3 PRO PRO N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000691 1 1 1 C  GLY 2 N PRO 3 SING ? ? ? 
PRD_000691 1 1 2 C1 PHQ 1 N GLY 2 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000691 2012-02-08 RCSB "Create molecule"    
PRD_000691 2012-05-01 RCSB "Other modification" 
PRD_000691 2012-07-09 PDBE "Other modification" 
PRD_000691 2012-12-12 RCSB "Initial release"    
PRD_000691 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000692
# 
_pdbx_reference_molecule.prd_id                       PRD_000692 
_pdbx_reference_molecule.name                         Z-PRO-PROLINAL 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H22 N2 O4" 
_pdbx_reference_molecule.formula_weight               330.378 
_pdbx_reference_molecule.chem_comp_id                 ZPR 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3ivm 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000692 
_pdbx_reference_entity_subcomponents.seq            "PHQ PRO PRI" 
_pdbx_reference_entity_subcomponents.chem_comp_id   ZPR 
# 
_pdbx_reference_entity_list.prd_id          PRD_000692 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000692 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000692 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000692 1 1 PHQ .   N Y 
PRD_000692 1 2 PRO PRO N Y 
PRD_000692 1 3 PRI .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000692 1 1 1 C   PRO 2 N PRI 3 SING ? ? ? 
PRD_000692 1 1 2 C14 PHQ 1 N PRO 2 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000692 2012-02-08 RCSB "Create molecule"    
PRD_000692 2012-05-01 RCSB "Other modification" 
PRD_000692 2012-07-09 PDBE "Other modification" 
PRD_000692 2012-12-12 RCSB "Initial release"    
PRD_000692 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000693
# 
_pdbx_reference_molecule.prd_id                       PRD_000693 
_pdbx_reference_molecule.name                         "(PHQ)LPA(B27) PEPTIDE" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H40 N4 O6 S" 
_pdbx_reference_molecule.formula_weight               536.684 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2kid 
# 
_pdbx_reference_entity_list.prd_id          PRD_000693 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "(PHQ)LPA(B27) PEPTIDE" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000693 1 1 C1 PHQ 1 N LEU 2 sing 1 ? ? ? 
PRD_000693 1 2 C  LEU 2 N PRO 3 sing 1 ? ? ? 
PRD_000693 1 3 C  PRO 3 N ALA 4 sing 1 ? ? ? 
PRD_000693 1 4 C  ALA 4 N B27 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000693 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000693 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000693 1 1 PHQ ?   N Y 
PRD_000693 1 2 LEU LEU N Y 
PRD_000693 1 3 PRO PRO N Y 
PRD_000693 1 4 ALA ALA N Y 
PRD_000693 1 5 B27 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000693 2012-02-01 RCSB "Create molecule"    
PRD_000693 2012-07-09 PDBE "Other modification" 
PRD_000693 2012-12-12 RCSB "Initial release"    
PRD_000693 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000694
# 
_pdbx_reference_molecule.prd_id                       PRD_000694 
_pdbx_reference_molecule.name                         "1-(1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C19 H24 N2 O5" 
_pdbx_reference_molecule.formula_weight               360.404 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2XDW 
# 
_pdbx_reference_entity_list.prd_id          PRD_000694 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "SYNTHETIC PEPTIDE PHQ-PRO-YCP" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000694 1 1 C1 PHQ 1 N PRO 2 sing 1 ? ? ? 
PRD_000694 1 2 C  PRO 2 N YCP 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000694 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000694 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000694 1 1 PHQ ?   N Y 
PRD_000694 1 2 PRO PRO N Y 
PRD_000694 1 3 YCP ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000694 2012-02-01 RCSB "Create molecule"    
PRD_000694 2012-07-09 PDBE "Other modification" 
PRD_000694 2013-06-19 RCSB "Other modification" 
PRD_000694 2023-09-20 PDBE "Modify audit"       
PRD_000694 2024-08-07 RCSB "Initial release"    
# 
data_PRD_000695
# 
_pdbx_reference_molecule.prd_id                       PRD_000695 
_pdbx_reference_molecule.name                         "(2S)-1-[2-[(4-hydroxy-4-oxobutanoyl)amino]acetyl]pyrrolidine-2-carboxylic acid" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C11 H16 N2 O6" 
_pdbx_reference_molecule.formula_weight               272.25454 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1o6g 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000695 1 1 non-polymer SIN 
PRD_000695 2 2 non-polymer GLY 
PRD_000695 3 3 non-polymer PRO 
# 
loop_
_pdbx_reference_entity_nonpoly.prd_id 
_pdbx_reference_entity_nonpoly.ref_entity_id 
_pdbx_reference_entity_nonpoly.name 
_pdbx_reference_entity_nonpoly.chem_comp_id 
_pdbx_reference_entity_nonpoly.details 
PRD_000695 3 PROLINE         PRO ? 
PRD_000695 1 "SUCCINIC ACID" SIN ? 
PRD_000695 2 GLYCINE         GLY ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000695 1 NN 1 ? SIN C4 2 ? GLY N sing 1 2 ? ? ? 
PRD_000695 2 NN 2 ? GLY C  3 ? PRO N sing 2 3 ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000695 2012-02-01 RCSB "Create molecule"    
PRD_000695 2012-07-09 PDBE "Other modification" 
PRD_000695 2023-09-20 PDBE "Modify audit"       
PRD_000695 2024-08-07 RCSB "Initial release"    
# 
data_PRD_000696
# 
_pdbx_reference_molecule.prd_id                       PRD_000696 
_pdbx_reference_molecule.name                         PSEUDOTYROSTATIN 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H28 N2 O5" 
_pdbx_reference_molecule.formula_weight               412.479 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1ke1 
# 
_pdbx_reference_entity_list.prd_id          PRD_000696 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "IVA TYR TYB PEPTIDE" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000696 1 1 C IVA 1 N TYR 2 sing 1 ? ? ? 
PRD_000696 1 2 C TYR 2 N TYB 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000696 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000696 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000696 1 1 IVA VAL N Y 
PRD_000696 1 2 TYR TYR N Y 
PRD_000696 1 3 TYB TYR N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000696 2012-02-03 RCSB "Create molecule"    
PRD_000696 2012-07-09 PDBE "Other modification" 
PRD_000696 2012-12-12 RCSB "Initial release"    
PRD_000696 2013-06-03 RCSB "Other modification" 
PRD_000696 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000701
# 
_pdbx_reference_molecule.prd_id                       PRD_000701 
_pdbx_reference_molecule.name                         TYROSTATIN 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H39 N3 O6" 
_pdbx_reference_molecule.formula_weight               525.636 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1kdz 
# 
_pdbx_reference_entity_list.prd_id          PRD_000701 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         TYROSTATIN 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000701 1 1 C IVA 1 N TYR 2 sing 1 ? ? ? 
PRD_000701 1 2 C TYR 2 N LEU 3 sing 1 ? ? ? 
PRD_000701 1 3 C LEU 3 N TYB 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000701 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000701 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000701 1 1 IVA VAL N Y 
PRD_000701 1 2 TYR TYR N Y 
PRD_000701 1 3 LEU LEU N Y 
PRD_000701 1 4 TYB TYR N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000701 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 2063 
_pdbx_reference_entity_src_nat.organism_scientific   Kitasatosporia 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000701 2012-02-03 RCSB "Create molecule"    
PRD_000701 2012-07-09 PDBE "Other modification" 
PRD_000701 2012-12-12 RCSB "Initial release"    
PRD_000701 2013-06-03 RCSB "Other modification" 
PRD_000701 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000705
# 
_pdbx_reference_molecule.prd_id                       PRD_000705 
_pdbx_reference_molecule.name                         "MICROGININ FR1" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C38 H57 N5 O9" 
_pdbx_reference_molecule.formula_weight               727.887 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2j9a 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000705 1 1 polymer     "MICROGININ FR1"                         
PRD_000705 2 2 non-polymer "(2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACID" 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000705 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "(2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACID" 
_pdbx_reference_entity_nonpoly.chem_comp_id    AHY 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_link.prd_id              PRD_000705 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    1 
_pdbx_reference_entity_link.comp_id_1           ALA 
_pdbx_reference_entity_link.atom_id_1           N 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    ? 
_pdbx_reference_entity_link.comp_id_2           AHY 
_pdbx_reference_entity_link.atom_id_2           C1 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             ? 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000705 1 1 C ALA 1 N MLE 2 sing 1 ? ? ? 
PRD_000705 1 2 C MLE 2 N TYR 3 sing 1 ? ? ? 
PRD_000705 1 3 C TYR 3 N TYR 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000705 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000705 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000705 1 1 ALA ALA N Y 
PRD_000705 1 2 MLE LEU N Y 
PRD_000705 1 3 TYR TYR N Y 
PRD_000705 1 4 TYR TRY N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000705 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1126 
_pdbx_reference_entity_src_nat.organism_scientific   "Microcystis aeruginosa" 
_pdbx_reference_entity_src_nat.source                PubMed 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000705 2012-02-08 RCSB "Create molecule"    
PRD_000705 2012-07-09 PDBE "Other modification" 
PRD_000705 2012-12-12 RCSB "Initial release"    
PRD_000705 2013-06-03 RCSB "Other modification" 
PRD_000705 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000708
# 
_pdbx_reference_molecule.prd_id                       PRD_000708 
_pdbx_reference_molecule.name                         "AIAF, ACE ILE ALA PHL" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H31 N3 O4" 
_pdbx_reference_molecule.formula_weight               377.478 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1kdv 
# 
_pdbx_reference_entity_list.prd_id          PRD_000708 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "AIAF PEPTIDE INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000708 1 1 C ACE 1 N ILE 2 sing 1 ? ? ? 
PRD_000708 1 2 C ILE 2 N ALA 3 sing 1 ? ? ? 
PRD_000708 1 3 C ALA 3 N PHL 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000708 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000708 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000708 1 1 ACE ?   N Y 
PRD_000708 1 2 ILE ILE N Y 
PRD_000708 1 3 ALA ALA N Y 
PRD_000708 1 4 PHL PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000708 2012-02-03 RCSB "Create molecule"      
PRD_000708 2012-07-09 PDBE "Other modification"   
PRD_000708 2012-12-12 RCSB "Initial release"      
PRD_000708 2013-06-03 RCSB "Other modification"   
PRD_000708 2018-09-06 RCSB "Modify molecule name" 
PRD_000708 2023-09-20 PDBE "Modify audit"         
# 
data_PRD_000720
# 
_pdbx_reference_molecule.prd_id                       PRD_000720 
_pdbx_reference_molecule.name                         "BACILLOMYCIN L-3" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H50 N10 O16" 
_pdbx_reference_molecule.formula_weight               866.829 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;BACILLOMYCIN L-3 IS A CYCLIC HEPTA-LIPOPEPTIDE.
HERE, BACILLOMYCIN ANALOGUE IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;BACILLOMYCIN ANALOGUE IS A CYCLIC HEPTA-LIPOPEPTIDE
WITH 8 AMINO-ACIDS OF CONFIGURATION LLDDLLDL
THE BETA-ALANINE IS LINKED VIA A PEPTIDE BOND
TO BOTH RESIDUES 2 AND 8.
;
_pdbx_reference_molecule.representative_PDB_id_code   2ih0 
# 
_pdbx_reference_entity_list.prd_id          PRD_000720 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "SYNTHETIC ANALOGUE OF THE STEROL-DEPENDENT ANTIFUNGAL ANTIBIOTIC BACILLOMYCIN LC, PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 8" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000720 1 1 N BAL 1 C THR 8 sing 1 ? ? ? 
PRD_000720 1 2 C BAL 1 N ASP 2 sing 1 ? ? ? 
PRD_000720 1 3 C ASP 2 N DTY 3 sing 1 ? ? ? 
PRD_000720 1 4 C DTY 3 N DSG 4 sing 1 ? ? ? 
PRD_000720 1 5 C DSG 4 N SER 5 sing 1 ? ? ? 
PRD_000720 1 6 C SER 5 N GLN 6 sing 1 ? ? ? 
PRD_000720 1 7 C GLN 6 N DSN 7 sing 1 ? ? ? 
PRD_000720 1 8 C DSN 7 N THR 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000720 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00781 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000720 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000720 1 1 BAL ?   N Y 
PRD_000720 1 2 ASP ASP N Y 
PRD_000720 1 3 DTY TYR N Y 
PRD_000720 1 4 DSG ASP N Y 
PRD_000720 1 5 SER SER N Y 
PRD_000720 1 6 GLN GLN N Y 
PRD_000720 1 7 DSN SER N Y 
PRD_000720 1 8 THR THR N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000720 2012-02-03 RCSB "Create molecule"    
PRD_000720 2012-07-09 PDBE "Other modification" 
PRD_000720 2012-07-31 RCSB "Other modification" 
PRD_000720 2012-12-12 RCSB "Initial release"    
PRD_000720 2013-06-03 RCSB "Other modification" 
PRD_000720 2017-05-04 RCSB "Other modification" 
PRD_000720 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000723
# 
_pdbx_reference_molecule.prd_id                       PRD_000723 
_pdbx_reference_molecule.name                         "PYOVERDIN C-E Fe Complex" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Metal Transport" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C55 H82 Fe N17 O22" 
_pdbx_reference_molecule.formula_weight               1389.185 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;PYOVERDINES ARE A GROUP OF STRUCTURALLY RELATED SIDEROPHORES
PRODUCED BY FLUORESCENT PSEUDOMONAS SPECIES. PYOVERDINE IS
NECESSARY FOR INFECTION IN SEVERAL DIFFERENT DISEASE MODELS.
THE OCCURRENCE OF PYOVERDINE-DEFECTIVE STRAINS IN CHRONIC
INFECTIONS OF PATIENTS WITH CYSTIC FIBROSIS AND THE EXTREMELY
HIGH SEQUENCE DIVERSITY OF GENES INVOLVED IN PYOVERDINE SYNTHESIS
AND UPTAKE INDICATE THAT PYOVERDINE PRODUCTION IS SUBJECT TO
HIGH EVOLUTIONARY PRESSURE. PYOVERDINE-DEPENDENT IRON TRANSPORT
IS ALSO CRUCIAL FOR BIOFILM DEVELOPMENT, FURTHER EXPANDING THE
IMPORTANCE OF THESE SIDEROPHORES IN PSEUDOMONAS BIOLOGY.
;
_pdbx_reference_molecule.description                  
;IN IRON-DEFICIENT CONDITIONS, PSEUDOMONAS
AERUGINOSA SECRETES A MAJOR FLUORESCENT
SIDEROPHORE NAMED PYOVERDIN (PVD),
WHICH AFTER CHELATING IRON(III) IS TRANSPORTED
BACK INTO THE CELL VIA ITS OUTER MEMBRANE RECEPTOR
FPVA. FPVA IS A TONB-DEPENDENT TRANSPORT PROTEIN
AND HAS THE ABILITY TO BIND PVD IN ITS APO-
OR IRON-LOADED FORM.
;
_pdbx_reference_molecule.representative_PDB_id_code   2w16 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000723 1 1 polymer     PYOVERDINE     
PRD_000723 2 2 non-polymer PVE            
PRD_000723 3 3 non-polymer "FE (III) ION" 
# 
loop_
_pdbx_reference_entity_nonpoly.prd_id 
_pdbx_reference_entity_nonpoly.ref_entity_id 
_pdbx_reference_entity_nonpoly.name 
_pdbx_reference_entity_nonpoly.chem_comp_id 
_pdbx_reference_entity_nonpoly.details 
PRD_000723 2 "(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-A]QUINOLIN-11-IUM" PVE ? 
PRD_000723 3 "FE (III) ION"                                                                                                FE  ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000723 1 PN 1 1 DSN N   2 ? PVE C15 sing 1 2 ? ? ? 
PRD_000723 2 PN 1 4 FHO OH  3 ? FE  FE  sing 1 3 ? ? ? 
PRD_000723 3 PN 1 6 FHO OZ  3 ? FE  FE  sing 1 3 ? ? ? 
PRD_000723 4 PN 1 6 FHO OH  3 ? FE  FE  sing 1 3 ? ? ? 
PRD_000723 5 PN 1 4 FHO OZ  3 ? FE  FE  sing 1 3 ? ? ? 
PRD_000723 6 NN 2 ? PVE O25 3 ? FE  FE  sing 2 3 ? ? ? 
PRD_000723 7 NN 2 ? PVE O26 3 ? FE  FE  sing 2 3 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000723 1 1 C  DSN 1 N ARG 2 sing 1 ? ? ? 
PRD_000723 1 2 C  ARG 2 N DSN 3 sing 1 ? ? ? 
PRD_000723 1 3 C  DSN 3 N FHO 4 sing 1 ? ? ? 
PRD_000723 1 4 C  FHO 4 N LYS 5 sing 1 ? ? ? 
PRD_000723 1 5 C  LYS 5 N FHO 6 sing 1 ? ? ? 
PRD_000723 1 6 NZ LYS 5 C THR 8 sing 1 ? ? ? 
PRD_000723 1 7 C  FHO 6 N THR 7 sing 1 ? ? ? 
PRD_000723 1 8 C  THR 7 N THR 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000723 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00190 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000723 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000723 1 1 DSN SER N Y 
PRD_000723 1 2 ARG ARG N Y 
PRD_000723 1 3 DSN SER N Y 
PRD_000723 1 4 FHO LYS N Y 
PRD_000723 1 5 LYS LYS N Y 
PRD_000723 1 6 FHO LYS N Y 
PRD_000723 1 7 THR THR N Y 
PRD_000723 1 8 THR THR N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000723 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 208964 
_pdbx_reference_entity_src_nat.organism_scientific   "PSEUDOMONAS AERUGINOSA, STRAIN PAO1" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00190 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000723 2012-02-03 RCSB "Create molecule"    
PRD_000723 2012-07-09 PDBE "Other modification" 
PRD_000723 2012-12-12 RCSB "Initial release"    
PRD_000723 2013-06-03 RCSB "Other modification" 
PRD_000723 2017-05-04 RCSB "Other modification" 
PRD_000723 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000724
# 
_pdbx_reference_molecule.prd_id                       PRD_000724 
_pdbx_reference_molecule.name                         "PYOVERDIN 18-1 Fe Complex" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Metal Transport" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C57 H84 Fe N17 O24" 
_pdbx_reference_molecule.formula_weight               1447.221 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;PYOVERDINES ARE A GROUP OF STRUCTURALLY RELATED SIDEROPHORES
PRODUCED BY FLUORESCENT PSEUDOMONAS SPECIES. PYOVERDINE IS
NECESSARY FOR INFECTION IN SEVERAL DIFFERENT DISEASE MODELS.
THE OCCURRENCE OF PYOVERDINE-DEFECTIVE STRAINS IN CHRONIC
INFECTIONS OF PATIENTS WITH CYSTIC FIBROSIS AND THE EXTREMELY
HIGH SEQUENCE DIVERSITY OF GENES INVOLVED IN PYOVERDINE SYNTHESIS
AND UPTAKE INDICATE THAT PYOVERDINE PRODUCTION IS SUBJECT TO
HIGH EVOLUTIONARY PRESSURE. PYOVERDINE-DEPENDENT IRON TRANSPORT
IS ALSO CRUCIAL FOR BIOFILM DEVELOPMENT, FURTHER EXPANDING THE
IMPORTANCE OF THESE SIDEROPHORES IN PSEUDOMONAS BIOLOGY.
;
_pdbx_reference_molecule.description                  
;IN IRON-DEFICIENT CONDITIONS, PSEUDOMONAS
AERUGINOSA SECRETES A MAJOR FLUORESCENT
SIDEROPHORE NAMED PYOVERDIN (PVD),
WHICH AFTER CHELATING IRON(III) IS TRANSPORTED
BACK INTO THE CELL VIA ITS OUTER MEMBRANE RECEPTOR
FPVA. FPVA IS A TONB-DEPENDENT TRANSPORT PROTEIN
AND HAS THE ABILITY TO BIND PVD IN ITS APO-
OR IRON-LOADED FORM.
;
_pdbx_reference_molecule.representative_PDB_id_code   2w77 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000724 1 1 polymer     PYOVERDINE     
PRD_000724 2 2 non-polymer PVE            
PRD_000724 3 3 non-polymer "FE (III) ION" 
# 
loop_
_pdbx_reference_entity_nonpoly.prd_id 
_pdbx_reference_entity_nonpoly.ref_entity_id 
_pdbx_reference_entity_nonpoly.name 
_pdbx_reference_entity_nonpoly.chem_comp_id 
_pdbx_reference_entity_nonpoly.details 
PRD_000724 2 "(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-A]QUINOLIN-11-IUM" PVE ? 
PRD_000724 3 "FE (III) ION"                                                                                                FE  ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000724 1 PN 1 1 DSN N   2 ? PVE C15 sing 1 2 ? ? ? 
PRD_000724 2 PN 1 9 FH7 OZ  3 ? FE  FE  sing 1 3 ? ? ? 
PRD_000724 3 PN 1 4 FHO OZ  3 ? FE  FE  sing 1 3 ? ? ? 
PRD_000724 4 PN 1 9 FH7 OH  3 ? FE  FE  sing 1 3 ? ? ? 
PRD_000724 5 PN 1 4 FHO OH  3 ? FE  FE  sing 1 3 ? ? ? 
PRD_000724 6 NN 2 ? PVE O25 3 ? FE  FE  sing 2 3 ? ? ? 
PRD_000724 7 NN 2 ? PVE O26 3 ? FE  FE  sing 2 3 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000724 1 1  C  DSN 1 N LYS 2  sing 1 ? ? ? 
PRD_000724 1 2  C  LYS 2 N GLY 3  sing 1 ? ? ? 
PRD_000724 1 3  C  GLY 3 N FHO 4  sing 1 ? ? ? 
PRD_000724 1 4  C  FHO 4 N SER 5  sing 1 ? ? ? 
PRD_000724 1 5  C  SER 5 N DSN 6  sing 1 ? ? ? 
PRD_000724 1 6  C  DSN 6 N GLY 7  sing 1 ? ? ? 
PRD_000724 1 7  C  GLY 7 N LYS 8  sing 1 ? ? ? 
PRD_000724 1 8  NZ LYS 8 C SER 10 sing 1 ? ? ? 
PRD_000724 1 9  C  LYS 8 N FH7 9  sing 1 ? ? ? 
PRD_000724 1 10 C  FH7 9 N SER 10 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000724 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00195 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000724 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000724 1 1  DSN SER N Y 
PRD_000724 1 2  LYS LYS N Y 
PRD_000724 1 3  GLY GLY N Y 
PRD_000724 1 4  FHO LYS N Y 
PRD_000724 1 5  SER SER N Y 
PRD_000724 1 6  DSN SER N Y 
PRD_000724 1 7  GLY GLY N Y 
PRD_000724 1 8  LYS LYS N Y 
PRD_000724 1 9  FH7 LYS N Y 
PRD_000724 1 10 SER SER N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000724 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 136843 
_pdbx_reference_entity_src_nat.organism_scientific   "PSEUDOMONAS FLUORESCENS" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00195 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000724 2012-02-03 RCSB "Create molecule"    
PRD_000724 2012-07-09 PDBE "Other modification" 
PRD_000724 2012-12-12 RCSB "Initial release"    
PRD_000724 2013-06-03 RCSB "Other modification" 
PRD_000724 2017-05-04 RCSB "Other modification" 
PRD_000724 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000725
# 
_pdbx_reference_molecule.prd_id                       PRD_000725 
_pdbx_reference_molecule.name                         "PYOVERDIN R Fe Complex" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Metal Transport" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C48 H64 Fe N15 O21" 
_pdbx_reference_molecule.formula_weight               1242.955 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;PYOVERDINES ARE A GROUP OF STRUCTURALLY RELATED SIDEROPHORES
PRODUCED BY FLUORESCENT PSEUDOMONAS SPECIES. PYOVERDINE IS
NECESSARY FOR INFECTION IN SEVERAL DIFFERENT DISEASE MODELS.
THE OCCURRENCE OF PYOVERDINE-DEFECTIVE STRAINS IN CHRONIC
INFECTIONS OF PATIENTS WITH CYSTIC FIBROSIS AND THE EXTREMELY
HIGH SEQUENCE DIVERSITY OF GENES INVOLVED IN PYOVERDINE SYNTHESIS
AND UPTAKE INDICATE THAT PYOVERDINE PRODUCTION IS SUBJECT TO
HIGH EVOLUTIONARY PRESSURE. PYOVERDINE-DEPENDENT IRON TRANSPORT
IS ALSO CRUCIAL FOR BIOFILM DEVELOPMENT, FURTHER EXPANDING THE
IMPORTANCE OF THESE SIDEROPHORES IN PSEUDOMONAS BIOLOGY.
;
_pdbx_reference_molecule.description                  
;IN IRON-DEFICIENT CONDITIONS, PSEUDOMONAS
AERUGINOSA SECRETES A MAJOR FLUORESCENT
SIDEROPHORE NAMED PYOVERDIN (PVD),
WHICH AFTER CHELATING IRON(III) IS TRANSPORTED
BACK INTO THE CELL VIA ITS OUTER MEMBRANE RECEPTOR
FPVA. FPVA IS A TONB-DEPENDENT TRANSPORT PROTEIN
AND HAS THE ABILITY TO BIND PVD IN ITS APO-
OR IRON-LOADED FORM.
;
_pdbx_reference_molecule.representative_PDB_id_code   2w76 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000725 1 1 polymer     PYOVERDINE     
PRD_000725 2 2 non-polymer PVE            
PRD_000725 3 3 non-polymer "FE (III) ION" 
# 
loop_
_pdbx_reference_entity_nonpoly.prd_id 
_pdbx_reference_entity_nonpoly.ref_entity_id 
_pdbx_reference_entity_nonpoly.name 
_pdbx_reference_entity_nonpoly.chem_comp_id 
_pdbx_reference_entity_nonpoly.details 
PRD_000725 2 "(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-A]QUINOLIN-11-IUM" PVE ? 
PRD_000725 3 "FE (III) ION"                                                                                                FE  ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000725 1 PN 1 1 DSN N   2 ? PVE C15 sing 1 2 ? ? ? 
PRD_000725 2 PN 1 6 FHO OZ  3 ? FE  FE  sing 1 3 ? ? ? 
PRD_000725 3 PN 1 6 FHO OH  3 ? FE  FE  sing 1 3 ? ? ? 
PRD_000725 4 PN 1 3 FHO OH  3 ? FE  FE  sing 1 3 ? ? ? 
PRD_000725 5 PN 1 3 FHO OZ  3 ? FE  FE  sing 1 3 ? ? ? 
PRD_000725 6 NN 2 ? PVE O25 3 ? FE  FE  sing 2 3 ? ? ? 
PRD_000725 7 NN 2 ? PVE O26 3 ? FE  FE  sing 2 3 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000725 1 1 CB DSN 1 N  DAB 2 sing 1 ? ? ? 
PRD_000725 1 2 CB DSN 1 ND DAB 2 sing 1 ? ? ? 
PRD_000725 1 3 C  DAB 2 N  FHO 3 sing 1 ? ? ? 
PRD_000725 1 4 C  FHO 3 N  GLN 4 sing 1 ? ? ? 
PRD_000725 1 5 C  GLN 4 N  DGN 5 sing 1 ? ? ? 
PRD_000725 1 6 C  DGN 5 N  FHO 6 sing 1 ? ? ? 
PRD_000725 1 7 C  FHO 6 N  GLY 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000725 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00200 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000725 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000725 1 1 DSN SER N Y 
PRD_000725 1 2 DAB ?   N Y 
PRD_000725 1 3 FHO LYS N Y 
PRD_000725 1 4 GLN GLN N Y 
PRD_000725 1 5 DGN GLN N Y 
PRD_000725 1 6 FHO LYS N Y 
PRD_000725 1 7 GLY GLY N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000725 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 2874 
_pdbx_reference_entity_src_nat.organism_scientific   "PSEUDOMONAS AERUGINOSA, STRAIN PAO1" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00200 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000725 2012-02-03 RCSB "Create molecule"    
PRD_000725 2012-07-09 PDBE "Other modification" 
PRD_000725 2012-12-12 RCSB "Initial release"    
PRD_000725 2013-06-03 RCSB "Other modification" 
PRD_000725 2017-05-04 RCSB "Other modification" 
PRD_000725 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000726
# 
_pdbx_reference_molecule.prd_id                       PRD_000726 
_pdbx_reference_molecule.name                         "PYOVERDIN 13525 Fe Complex" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Metal Transport" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C49 H71 Fe N14 O19" 
_pdbx_reference_molecule.formula_weight               1216.015 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;PYOVERDINES ARE A GROUP OF STRUCTURALLY RELATED SIDEROPHORES
PRODUCED BY FLUORESCENT PSEUDOMONAS SPECIES. PYOVERDINE IS
NECESSARY FOR INFECTION IN SEVERAL DIFFERENT DISEASE MODELS.
THE OCCURRENCE OF PYOVERDINE-DEFECTIVE STRAINS IN CHRONIC
INFECTIONS OF PATIENTS WITH CYSTIC FIBROSIS AND THE EXTREMELY
HIGH SEQUENCE DIVERSITY OF GENES INVOLVED IN PYOVERDINE SYNTHESIS
AND UPTAKE INDICATE THAT PYOVERDINE PRODUCTION IS SUBJECT TO
HIGH EVOLUTIONARY PRESSURE. PYOVERDINE-DEPENDENT IRON TRANSPORT
IS ALSO CRUCIAL FOR BIOFILM DEVELOPMENT, FURTHER EXPANDING THE
IMPORTANCE OF THESE SIDEROPHORES IN PSEUDOMONAS BIOLOGY.
;
_pdbx_reference_molecule.description                  
;IN IRON-DEFICIENT CONDITIONS, PSEUDOMONAS
AERUGINOSA SECRETES A MAJOR FLUORESCENT
SIDEROPHORE NAMED PYOVERDIN (PVD),
WHICH AFTER CHELATING IRON(III) IS TRANSPORTED
BACK INTO THE CELL VIA ITS OUTER MEMBRANE RECEPTOR
FPVA. FPVA IS A TONB-DEPENDENT TRANSPORT PROTEIN
AND HAS THE ABILITY TO BIND PVD IN ITS APO-
OR IRON-LOADED FORM.
;
_pdbx_reference_molecule.representative_PDB_id_code   2w78 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000726 1 1 polymer     PYOVERDINE     
PRD_000726 2 2 non-polymer PVE            
PRD_000726 3 3 non-polymer "FE (III) ION" 
# 
loop_
_pdbx_reference_entity_nonpoly.prd_id 
_pdbx_reference_entity_nonpoly.ref_entity_id 
_pdbx_reference_entity_nonpoly.name 
_pdbx_reference_entity_nonpoly.chem_comp_id 
_pdbx_reference_entity_nonpoly.details 
PRD_000726 2 "(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-A]QUINOLIN-11-IUM" PVE ? 
PRD_000726 3 "FE (III) ION"                                                                                                FE  ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000726 1 PN 1 1 DSN N   2 ? PVE C15 sing 1 2 ? ? ? 
PRD_000726 2 PN 1 4 FHO OZ  3 ? FE  FE  sing 1 3 ? ? ? 
PRD_000726 3 PN 1 6 FH7 OZ  3 ? FE  FE  sing 1 3 ? ? ? 
PRD_000726 4 PN 1 4 FHO OH  3 ? FE  FE  sing 1 3 ? ? ? 
PRD_000726 5 PN 1 6 FH7 OH  3 ? FE  FE  sing 1 3 ? ? ? 
PRD_000726 6 NN 2 ? PVE O25 3 ? FE  FE  sing 2 3 ? ? ? 
PRD_000726 7 NN 2 ? PVE O26 3 ? FE  FE  sing 2 3 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000726 1 1 C  DSN 1 N LYS 2 sing 1 ? ? ? 
PRD_000726 1 2 C  LYS 2 N GLY 3 sing 1 ? ? ? 
PRD_000726 1 3 C  GLY 3 N FHO 4 sing 1 ? ? ? 
PRD_000726 1 4 C  FHO 4 N LYS 5 sing 1 ? ? ? 
PRD_000726 1 5 NZ LYS 5 C SER 7 sing 1 ? ? ? 
PRD_000726 1 6 C  LYS 5 N FH7 6 sing 1 ? ? ? 
PRD_000726 1 7 C  FH7 6 N SER 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000726 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00193 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000726 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000726 1 1 DSN SER N Y 
PRD_000726 1 2 LYS LYS N Y 
PRD_000726 1 3 GLY GLY N Y 
PRD_000726 1 4 FHO LYS N Y 
PRD_000726 1 5 LYS LYS N Y 
PRD_000726 1 6 FH7 LYS N Y 
PRD_000726 1 7 SER SER N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000726 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 136843 
_pdbx_reference_entity_src_nat.organism_scientific   "PSEUDOMONAS FLUORESCENS" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00193 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000726 2012-02-03 RCSB "Create molecule"    
PRD_000726 2012-07-09 PDBE "Other modification" 
PRD_000726 2012-12-12 RCSB "Initial release"    
PRD_000726 2013-06-03 RCSB "Other modification" 
PRD_000726 2017-05-04 RCSB "Other modification" 
PRD_000726 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000727
# 
_pdbx_reference_molecule.prd_id                       PRD_000727 
_pdbx_reference_molecule.name                         "PYOVERDIN G173 Fe Complex" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Metal Transport" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C49 H66 Fe N13 O21" 
_pdbx_reference_molecule.formula_weight               1228.968 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;PYOVERDINES ARE A GROUP OF STRUCTURALLY RELATED SIDEROPHORES
PRODUCED BY FLUORESCENT PSEUDOMONAS SPECIES. PYOVERDINE IS
NECESSARY FOR INFECTION IN SEVERAL DIFFERENT DISEASE MODELS.
THE OCCURRENCE OF PYOVERDINE-DEFECTIVE STRAINS IN CHRONIC
INFECTIONS OF PATIENTS WITH CYSTIC FIBROSIS AND THE EXTREMELY
HIGH SEQUENCE DIVERSITY OF GENES INVOLVED IN PYOVERDINE SYNTHESIS
AND UPTAKE INDICATE THAT PYOVERDINE PRODUCTION IS SUBJECT TO
HIGH EVOLUTIONARY PRESSURE. PYOVERDINE-DEPENDENT IRON TRANSPORT
IS ALSO CRUCIAL FOR BIOFILM DEVELOPMENT, FURTHER EXPANDING THE
IMPORTANCE OF THESE SIDEROPHORES IN PSEUDOMONAS BIOLOGY.
;
_pdbx_reference_molecule.description                  
;IN IRON-DEFICIENT CONDITIONS, PSEUDOMONAS
AERUGINOSA SECRETES A MAJOR FLUORESCENT
SIDEROPHORE NAMED PYOVERDIN (PVD),
WHICH AFTER CHELATING IRON(III) IS TRANSPORTED
BACK INTO THE CELL VIA ITS OUTER MEMBRANE RECEPTOR
FPVA. FPVA IS A TONB-DEPENDENT TRANSPORT PROTEIN
AND HAS THE ABILITY TO BIND PVD IN ITS APO-
OR IRON-LOADED FORM.
;
_pdbx_reference_molecule.representative_PDB_id_code   2w6u 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000727 1 1 polymer     PYOVERDINE     
PRD_000727 2 2 non-polymer PVE            
PRD_000727 3 3 non-polymer "FE (III) ION" 
# 
loop_
_pdbx_reference_entity_nonpoly.prd_id 
_pdbx_reference_entity_nonpoly.ref_entity_id 
_pdbx_reference_entity_nonpoly.name 
_pdbx_reference_entity_nonpoly.chem_comp_id 
_pdbx_reference_entity_nonpoly.details 
PRD_000727 2 "(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-A]QUINOLIN-11-IUM" PVE ? 
PRD_000727 3 "FE (III) ION"                                                                                                FE  ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000727 1 PN 1 1 DSN N   2 ? PVE C15 sing 1 2 ? ? ? 
PRD_000727 2 PN 1 6 AHO O3  3 ? FE  FE  sing 1 3 ? ? ? 
PRD_000727 3 PN 1 6 AHO O2  3 ? FE  FE  sing 1 3 ? ? ? 
PRD_000727 4 PN 1 3 AHO O3  3 ? FE  FE  sing 1 3 ? ? ? 
PRD_000727 5 PN 1 3 AHO O2  3 ? FE  FE  sing 1 3 ? ? ? 
PRD_000727 6 NN 2 ? PVE O26 3 ? FE  FE  sing 2 3 ? ? ? 
PRD_000727 7 NN 2 ? PVE O25 3 ? FE  FE  sing 2 3 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000727 1 1 C  DSN 1 N ALA 2 sing 1 ? ? ? 
PRD_000727 1 2 C  ALA 2 N AHO 3 sing 1 ? ? ? 
PRD_000727 1 3 C  AHO 3 N ORN 4 sing 1 ? ? ? 
PRD_000727 1 4 NE ORN 4 C SER 7 sing 1 ? ? ? 
PRD_000727 1 5 C  ORN 4 N DAS 5 sing 1 ? ? ? 
PRD_000727 1 6 C  DAS 5 N AHO 6 sing 1 ? ? ? 
PRD_000727 1 7 C  AHO 6 N SER 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000727 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00187 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000727 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000727 1 1 DSN SER N Y 
PRD_000727 1 2 ALA ALA N Y 
PRD_000727 1 3 AHO ARG N Y 
PRD_000727 1 4 ORN ARG N Y 
PRD_000727 1 5 DAS ASP N Y 
PRD_000727 1 6 AHO ARG N Y 
PRD_000727 1 7 SER SER N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000727 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 136843 
_pdbx_reference_entity_src_nat.organism_scientific   "PSEUDOMONAS FLUORESCENS" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00187 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000727 2012-02-03 RCSB "Create molecule"    
PRD_000727 2012-07-09 PDBE "Other modification" 
PRD_000727 2012-12-12 RCSB "Initial release"    
PRD_000727 2013-06-03 RCSB "Other modification" 
PRD_000727 2017-05-04 RCSB "Other modification" 
PRD_000727 2023-09-20 PDBE "Modify audit"       
PRD_000727 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000728
# 
_pdbx_reference_molecule.prd_id                       PRD_000728 
_pdbx_reference_molecule.name                         "Synthetic PYOVERDINE Fe Complex" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Metal Transport" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C56 H81 Fe N17 O24" 
_pdbx_reference_molecule.formula_weight               1432.187 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;PYOVERDINES ARE A GROUP OF STRUCTURALLY RELATED SIDEROPHORES
PRODUCED BY FLUORESCENT PSEUDOMONAS SPECIES. PYOVERDINE IS
NECESSARY FOR INFECTION IN SEVERAL DIFFERENT DISEASE MODELS.
THE OCCURRENCE OF PYOVERDINE-DEFECTIVE STRAINS IN CHRONIC
INFECTIONS OF PATIENTS WITH CYSTIC FIBROSIS AND THE EXTREMELY
HIGH SEQUENCE DIVERSITY OF GENES INVOLVED IN PYOVERDINE SYNTHESIS
AND UPTAKE INDICATE THAT PYOVERDINE PRODUCTION IS SUBJECT TO
HIGH EVOLUTIONARY PRESSURE. PYOVERDINE-DEPENDENT IRON TRANSPORT
IS ALSO CRUCIAL FOR BIOFILM DEVELOPMENT, FURTHER EXPANDING THE
IMPORTANCE OF THESE SIDEROPHORES IN PSEUDOMONAS BIOLOGY.
;
_pdbx_reference_molecule.description                  
;IN IRON-DEFICIENT CONDITIONS, PSEUDOMONAS
AERUGINOSA SECRETES A MAJOR FLUORESCENT
SIDEROPHORE NAMED PYOVERDIN (PVD),
WHICH AFTER CHELATING IRON(III) IS TRANSPORTED
BACK INTO THE CELL VIA ITS OUTER MEMBRANE RECEPTOR
FPVA. FPVA IS A TONB-DEPENDENT TRANSPORT PROTEIN
AND HAS THE ABILITY TO BIND PVD IN ITS APO-
OR IRON-LOADED FORM.
;
_pdbx_reference_molecule.representative_PDB_id_code   2w6t 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000728 1 1 polymer     PYOVERDINE     
PRD_000728 2 2 non-polymer PVE            
PRD_000728 3 3 non-polymer "FE (III) ION" 
# 
loop_
_pdbx_reference_entity_nonpoly.prd_id 
_pdbx_reference_entity_nonpoly.ref_entity_id 
_pdbx_reference_entity_nonpoly.name 
_pdbx_reference_entity_nonpoly.chem_comp_id 
_pdbx_reference_entity_nonpoly.details 
PRD_000728 2 "(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-A]QUINOLIN-11-IUM" PVE ? 
PRD_000728 3 "FE (III) ION"                                                                                                FE  ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000728 1 PN 1 1 DSN N   2 ? PVE C15 sing 1 2 ? ? ? 
PRD_000728 2 PN 1 9 FH7 OH  3 ? FE  FE  sing 1 3 ? ? ? 
PRD_000728 3 PN 1 9 FH7 OZ  3 ? FE  FE  sing 1 3 ? ? ? 
PRD_000728 4 PN 1 4 FHO OH  3 ? FE  FE  sing 1 3 ? ? ? 
PRD_000728 5 PN 1 4 FHO OZ  3 ? FE  FE  sing 1 3 ? ? ? 
PRD_000728 6 NN 2 ? PVE O25 3 ? FE  FE  sing 2 3 ? ? ? 
PRD_000728 7 NN 2 ? PVE O26 3 ? FE  FE  sing 2 3 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000728 1 1  C  DSN 1 N LYS 2  sing 1 ? ? ? 
PRD_000728 1 2  C  LYS 2 N GLY 3  sing 1 ? ? ? 
PRD_000728 1 3  C  GLY 3 N FHO 4  sing 1 ? ? ? 
PRD_000728 1 4  C  FHO 4 N SER 5  sing 1 ? ? ? 
PRD_000728 1 5  C  SER 5 N DSN 6  sing 1 ? ? ? 
PRD_000728 1 6  C  DSN 6 N GLY 7  sing 1 ? ? ? 
PRD_000728 1 7  C  GLY 7 N ORN 8  sing 1 ? ? ? 
PRD_000728 1 8  C  ORN 8 N FH7 9  sing 1 ? ? ? 
PRD_000728 1 9  NE ORN 8 C SER 10 sing 1 ? ? ? 
PRD_000728 1 10 C  FH7 9 N SER 10 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000728 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000728 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000728 1 1  DSN SER N Y 
PRD_000728 1 2  LYS LYS N Y 
PRD_000728 1 3  GLY GLY N Y 
PRD_000728 1 4  FHO LYS N Y 
PRD_000728 1 5  SER SER N Y 
PRD_000728 1 6  DSN SER N Y 
PRD_000728 1 7  GLY GLY N Y 
PRD_000728 1 8  ORN ARG N Y 
PRD_000728 1 9  FH7 LYS N Y 
PRD_000728 1 10 SER SER N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000728 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 ? 
_pdbx_reference_entity_src_nat.organism_scientific   SYNTHETIC 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000728 2012-02-03 RCSB "Create molecule"    
PRD_000728 2012-07-09 PDBE "Other modification" 
PRD_000728 2012-12-12 RCSB "Initial release"    
PRD_000728 2013-06-03 RCSB "Other modification" 
PRD_000728 2017-05-04 RCSB "Other modification" 
PRD_000728 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000734
# 
_pdbx_reference_molecule.prd_id                       PRD_000734 
_pdbx_reference_molecule.name                         "ALL-D KALATA B1" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Antimicrobial, Antitumor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C117 H180 N35 O39 S6" 
_pdbx_reference_molecule.formula_weight               2893.282 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2jue 
# 
_pdbx_reference_entity_list.prd_id          PRD_000734 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         peptide 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000734 1 1  N  DCY 1  C  DVA 29 sing 1 ? ? ? 
PRD_000734 1 2  C  DCY 1  N  GLY 2  sing 1 ? ? ? 
PRD_000734 1 3  SG DCY 1  SG DCY 15 sing 1 ? ? ? 
PRD_000734 1 4  C  GLY 2  N  DGL 3  sing 1 ? ? ? 
PRD_000734 1 5  C  DGL 3  N  DTH 4  sing 1 ? ? ? 
PRD_000734 1 6  C  DTH 4  N  DCY 5  sing 1 ? ? ? 
PRD_000734 1 7  C  DCY 5  N  DVA 6  sing 1 ? ? ? 
PRD_000734 1 8  SG DCY 5  SG DCY 17 sing 1 ? ? ? 
PRD_000734 1 9  C  DVA 6  N  GLY 7  sing 1 ? ? ? 
PRD_000734 1 10 C  GLY 7  N  GLY 8  sing 1 ? ? ? 
PRD_000734 1 11 C  GLY 8  N  DTH 9  sing 1 ? ? ? 
PRD_000734 1 12 C  DTH 9  N  DCY 10 sing 1 ? ? ? 
PRD_000734 1 13 C  DCY 10 N  DSG 11 sing 1 ? ? ? 
PRD_000734 1 14 SG DCY 10 SG DCY 22 sing 1 ? ? ? 
PRD_000734 1 15 C  DSG 11 N  DTH 12 sing 1 ? ? ? 
PRD_000734 1 16 C  DTH 12 N  DPR 13 sing 1 ? ? ? 
PRD_000734 1 17 C  DPR 13 N  GLY 14 sing 1 ? ? ? 
PRD_000734 1 18 C  GLY 14 N  DCY 15 sing 1 ? ? ? 
PRD_000734 1 19 C  DCY 15 N  DTH 16 sing 1 ? ? ? 
PRD_000734 1 20 C  DTH 16 N  DCY 17 sing 1 ? ? ? 
PRD_000734 1 21 C  DCY 17 N  DSN 18 sing 1 ? ? ? 
PRD_000734 1 22 C  DSN 18 N  DTR 19 sing 1 ? ? ? 
PRD_000734 1 23 C  DTR 19 N  DPR 20 sing 1 ? ? ? 
PRD_000734 1 24 C  DPR 20 N  DVA 21 sing 1 ? ? ? 
PRD_000734 1 25 C  DVA 21 N  DCY 22 sing 1 ? ? ? 
PRD_000734 1 26 C  DCY 22 N  DTH 23 sing 1 ? ? ? 
PRD_000734 1 27 C  DTH 23 N  DAR 24 sing 1 ? ? ? 
PRD_000734 1 28 C  DAR 24 N  DSG 25 sing 1 ? ? ? 
PRD_000734 1 29 C  DSG 25 N  GLY 26 sing 1 ? ? ? 
PRD_000734 1 30 C  GLY 26 N  DLE 27 sing 1 ? ? ? 
PRD_000734 1 31 C  DLE 27 N  DPR 28 sing 1 ? ? ? 
PRD_000734 1 32 C  DPR 28 N  DVA 29 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000734 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         P56254 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000734 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000734 1 1  DCY CYS N Y 
PRD_000734 1 2  GLY GLY N Y 
PRD_000734 1 3  DGL GLU N Y 
PRD_000734 1 4  DTH THR N Y 
PRD_000734 1 5  DCY CYS N Y 
PRD_000734 1 6  DVA VAL N Y 
PRD_000734 1 7  GLY GLY N Y 
PRD_000734 1 8  GLY GLY N Y 
PRD_000734 1 9  DTH THR N Y 
PRD_000734 1 10 DCY CYS N Y 
PRD_000734 1 11 DSG ASN N Y 
PRD_000734 1 12 DTH THR N Y 
PRD_000734 1 13 DPR PRO N Y 
PRD_000734 1 14 GLY GLY N Y 
PRD_000734 1 15 DCY CYS N Y 
PRD_000734 1 16 DTH THR N Y 
PRD_000734 1 17 DCY CYS N Y 
PRD_000734 1 18 DSN SER N Y 
PRD_000734 1 19 DTR TRP N Y 
PRD_000734 1 20 DPR PRO N Y 
PRD_000734 1 21 DVA VAL N Y 
PRD_000734 1 22 DCY CYS N Y 
PRD_000734 1 23 DTH THR N Y 
PRD_000734 1 24 DAR ARG N Y 
PRD_000734 1 25 DSG ASN N Y 
PRD_000734 1 26 GLY GLY N Y 
PRD_000734 1 27 DLE LEU N Y 
PRD_000734 1 28 DPR PRO N Y 
PRD_000734 1 29 DVA VAL N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000734 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 60225 
_pdbx_reference_entity_src_nat.organism_scientific   "Oldenlandia affinis" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               P56254 
_pdbx_reference_entity_src_nat.db_name               UniProt 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000734 2012-02-03 RCSB "Create molecule"    
PRD_000734 2012-07-09 PDBE "Other modification" 
PRD_000734 2013-06-03 RCSB "Other modification" 
PRD_000734 2020-08-12 RCSB "Initial release"    
PRD_000734 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000749
# 
_pdbx_reference_molecule.prd_id                       PRD_000749 
_pdbx_reference_molecule.name                         "KALATA B1" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Antimicrobial, Antitumor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C117 H180 N35 O39 S6" 
_pdbx_reference_molecule.formula_weight               2893.282 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1jjz 
# 
_pdbx_reference_entity_list.prd_id          PRD_000749 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         peptide 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000749 1 1  C  ASN 1  N  GLY 2  sing 1 ? ? ? 
PRD_000749 1 2  N  ASN 1  C  ARG 29 sing 1 ? ? ? 
PRD_000749 1 3  C  GLY 2  N  LEU 3  sing 1 ? ? ? 
PRD_000749 1 4  C  LEU 3  N  PRO 4  sing 1 ? ? ? 
PRD_000749 1 5  C  PRO 4  N  VAL 5  sing 1 ? ? ? 
PRD_000749 1 6  C  VAL 5  N  CYS 6  sing 1 ? ? ? 
PRD_000749 1 7  C  CYS 6  N  GLY 7  sing 1 ? ? ? 
PRD_000749 1 8  SG CYS 6  SG CYS 27 sing 1 ? ? ? 
PRD_000749 1 9  C  GLY 7  N  GLU 8  sing 1 ? ? ? 
PRD_000749 1 10 C  GLU 8  N  THR 9  sing 1 ? ? ? 
PRD_000749 1 11 C  THR 9  N  CYS 10 sing 1 ? ? ? 
PRD_000749 1 12 C  CYS 10 N  VAL 11 sing 1 ? ? ? 
PRD_000749 1 13 SG CYS 10 SG CYS 22 sing 1 ? ? ? 
PRD_000749 1 14 C  VAL 11 N  GLY 12 sing 1 ? ? ? 
PRD_000749 1 15 C  GLY 12 N  GLY 13 sing 1 ? ? ? 
PRD_000749 1 16 C  GLY 13 N  THR 14 sing 1 ? ? ? 
PRD_000749 1 17 C  THR 14 N  CYS 15 sing 1 ? ? ? 
PRD_000749 1 18 C  CYS 15 N  ASN 16 sing 1 ? ? ? 
PRD_000749 1 19 SG CYS 15 SG CYS 20 sing 1 ? ? ? 
PRD_000749 1 20 C  ASN 16 N  THR 17 sing 1 ? ? ? 
PRD_000749 1 21 C  THR 17 N  PRO 18 sing 1 ? ? ? 
PRD_000749 1 22 C  PRO 18 N  GLY 19 sing 1 ? ? ? 
PRD_000749 1 23 C  GLY 19 N  CYS 20 sing 1 ? ? ? 
PRD_000749 1 24 C  CYS 20 N  THR 21 sing 1 ? ? ? 
PRD_000749 1 25 C  THR 21 N  CYS 22 sing 1 ? ? ? 
PRD_000749 1 26 C  CYS 22 N  SER 23 sing 1 ? ? ? 
PRD_000749 1 27 C  SER 23 N  TRP 24 sing 1 ? ? ? 
PRD_000749 1 28 C  TRP 24 N  PRO 25 sing 1 ? ? ? 
PRD_000749 1 29 C  PRO 25 N  VAL 26 sing 1 ? ? ? 
PRD_000749 1 30 C  VAL 26 N  CYS 27 sing 1 ? ? ? 
PRD_000749 1 31 C  CYS 27 N  THR 28 sing 1 ? ? ? 
PRD_000749 1 32 C  THR 28 N  ARG 29 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000749 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         P56254 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000749 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000749 1 1  ASN ASN N Y 
PRD_000749 1 2  GLY GLY N Y 
PRD_000749 1 3  LEU LEU N Y 
PRD_000749 1 4  PRO PRO N Y 
PRD_000749 1 5  VAL VAL N Y 
PRD_000749 1 6  CYS CYS N Y 
PRD_000749 1 7  GLY GLY N Y 
PRD_000749 1 8  GLU GLU N Y 
PRD_000749 1 9  THR THR N Y 
PRD_000749 1 10 CYS CYS N Y 
PRD_000749 1 11 VAL VAL N Y 
PRD_000749 1 12 GLY GLY N Y 
PRD_000749 1 13 GLY GLY N Y 
PRD_000749 1 14 THR THR N Y 
PRD_000749 1 15 CYS CYS N Y 
PRD_000749 1 16 ASN ASN N Y 
PRD_000749 1 17 THR THR N Y 
PRD_000749 1 18 PRO PRO N Y 
PRD_000749 1 19 GLY GLY N Y 
PRD_000749 1 20 CYS CYS N Y 
PRD_000749 1 21 THR THR N Y 
PRD_000749 1 22 CYS CYS N Y 
PRD_000749 1 23 SER SER N Y 
PRD_000749 1 24 TRP TRP N Y 
PRD_000749 1 25 PRO PRO N Y 
PRD_000749 1 26 VAL VAL N Y 
PRD_000749 1 27 CYS CYS N Y 
PRD_000749 1 28 THR THR N Y 
PRD_000749 1 29 ARG ARG N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000749 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 60225 
_pdbx_reference_entity_src_nat.organism_scientific   "Oldenlandia affinis" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               P56254 
_pdbx_reference_entity_src_nat.db_name               UniProt 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000749 2012-02-03 RCSB "Create molecule"    
PRD_000749 2012-07-09 PDBE "Other modification" 
PRD_000749 2013-06-03 RCSB "Other modification" 
PRD_000749 2020-08-12 RCSB "Initial release"    
PRD_000749 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000750
# 
_pdbx_reference_molecule.prd_id                       PRD_000750 
_pdbx_reference_molecule.name                         "CYCLIC KNOTTIN TRYPSIN INHIBITOR II" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Antimicrobial, Antitumor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C138 H229 N47 O45 S6" 
_pdbx_reference_molecule.formula_weight               3458.973 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1ha9 
# 
_pdbx_reference_entity_list.prd_id          PRD_000750 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         peptide 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000750 1 1  C  SER 1  N  GLY 2  sing 1 ? ? ? 
PRD_000750 1 2  N  SER 1  C  GLY 34 sing 1 ? ? ? 
PRD_000750 1 3  C  GLY 2  N  SER 3  sing 1 ? ? ? 
PRD_000750 1 4  C  SER 3  N  ASP 4  sing 1 ? ? ? 
PRD_000750 1 5  C  ASP 4  N  GLY 5  sing 1 ? ? ? 
PRD_000750 1 6  C  GLY 5  N  GLY 6  sing 1 ? ? ? 
PRD_000750 1 7  C  GLY 6  N  VAL 7  sing 1 ? ? ? 
PRD_000750 1 8  C  VAL 7  N  CYS 8  sing 1 ? ? ? 
PRD_000750 1 9  C  CYS 8  N  PRO 9  sing 1 ? ? ? 
PRD_000750 1 10 SG CYS 8  SG CYS 25 sing 1 ? ? ? 
PRD_000750 1 11 C  PRO 9  N  LYS 10 sing 1 ? ? ? 
PRD_000750 1 12 C  LYS 10 N  ILE 11 sing 1 ? ? ? 
PRD_000750 1 13 C  ILE 11 N  LEU 12 sing 1 ? ? ? 
PRD_000750 1 14 C  LEU 12 N  LYS 13 sing 1 ? ? ? 
PRD_000750 1 15 C  LYS 13 N  LYS 14 sing 1 ? ? ? 
PRD_000750 1 16 C  LYS 14 N  CYS 15 sing 1 ? ? ? 
PRD_000750 1 17 C  CYS 15 N  ARG 16 sing 1 ? ? ? 
PRD_000750 1 18 SG CYS 15 SG CYS 27 sing 1 ? ? ? 
PRD_000750 1 19 C  ARG 16 N  ARG 17 sing 1 ? ? ? 
PRD_000750 1 20 C  ARG 17 N  ASP 18 sing 1 ? ? ? 
PRD_000750 1 21 C  ASP 18 N  SER 19 sing 1 ? ? ? 
PRD_000750 1 22 C  SER 19 N  ASP 20 sing 1 ? ? ? 
PRD_000750 1 23 C  ASP 20 N  CYS 21 sing 1 ? ? ? 
PRD_000750 1 24 C  CYS 21 N  PRO 22 sing 1 ? ? ? 
PRD_000750 1 25 SG CYS 21 SG CYS 33 sing 1 ? ? ? 
PRD_000750 1 26 C  PRO 22 N  GLY 23 sing 1 ? ? ? 
PRD_000750 1 27 C  GLY 23 N  ALA 24 sing 1 ? ? ? 
PRD_000750 1 28 C  ALA 24 N  CYS 25 sing 1 ? ? ? 
PRD_000750 1 29 C  CYS 25 N  ILE 26 sing 1 ? ? ? 
PRD_000750 1 30 C  ILE 26 N  CYS 27 sing 1 ? ? ? 
PRD_000750 1 31 C  CYS 27 N  ARG 28 sing 1 ? ? ? 
PRD_000750 1 32 C  ARG 28 N  GLY 29 sing 1 ? ? ? 
PRD_000750 1 33 C  GLY 29 N  ASN 30 sing 1 ? ? ? 
PRD_000750 1 34 C  ASN 30 N  GLY 31 sing 1 ? ? ? 
PRD_000750 1 35 C  GLY 31 N  TYR 32 sing 1 ? ? ? 
PRD_000750 1 36 C  TYR 32 N  CYS 33 sing 1 ? ? ? 
PRD_000750 1 37 C  CYS 33 N  GLY 34 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000750 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         P82409 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000750 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000750 1 1  SER SER N Y 
PRD_000750 1 2  GLY GLY N Y 
PRD_000750 1 3  SER SER N Y 
PRD_000750 1 4  ASP ASP N Y 
PRD_000750 1 5  GLY GLY N Y 
PRD_000750 1 6  GLY GLY N Y 
PRD_000750 1 7  VAL VAL N Y 
PRD_000750 1 8  CYS CYS N Y 
PRD_000750 1 9  PRO PRO N Y 
PRD_000750 1 10 LYS LYS N Y 
PRD_000750 1 11 ILE ILE N Y 
PRD_000750 1 12 LEU LEU N Y 
PRD_000750 1 13 LYS LYS N Y 
PRD_000750 1 14 LYS LYS N Y 
PRD_000750 1 15 CYS CYS N Y 
PRD_000750 1 16 ARG ARG N Y 
PRD_000750 1 17 ARG ARG N Y 
PRD_000750 1 18 ASP ASP N Y 
PRD_000750 1 19 SER SER N Y 
PRD_000750 1 20 ASP ASP N Y 
PRD_000750 1 21 CYS CYS N Y 
PRD_000750 1 22 PRO PRO N Y 
PRD_000750 1 23 GLY GLY N Y 
PRD_000750 1 24 ALA ALA N Y 
PRD_000750 1 25 CYS CYS N Y 
PRD_000750 1 26 ILE ILE N Y 
PRD_000750 1 27 CYS CYS N Y 
PRD_000750 1 28 ARG ARG N Y 
PRD_000750 1 29 GLY GLY N Y 
PRD_000750 1 30 ASN ASN N Y 
PRD_000750 1 31 GLY GLY N Y 
PRD_000750 1 32 TYR TYR N Y 
PRD_000750 1 33 CYS CYS N Y 
PRD_000750 1 34 GLY GLY N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000750 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 3674 
_pdbx_reference_entity_src_nat.organism_scientific   "Momordica cochinchinensis (Spiny bitter cucumber)" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               P82409 
_pdbx_reference_entity_src_nat.db_name               UniProt 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000750 2012-02-03 RCSB "Create molecule"    
PRD_000750 2012-07-09 PDBE "Other modification" 
PRD_000750 2012-12-12 RCSB "Initial release"    
PRD_000750 2013-06-03 RCSB "Other modification" 
PRD_000750 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000752
# 
_pdbx_reference_molecule.prd_id                       PRD_000752 
_pdbx_reference_molecule.name                         "CIRCULIN A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Antimicrobial, Antitumor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C134 H211 N38 O38 S6" 
_pdbx_reference_molecule.formula_weight               3154.731 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1bh4 
# 
_pdbx_reference_entity_list.prd_id          PRD_000752 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         peptide 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000752 1 1  N  CYS 1  C  PRO 30 sing 1 ? ? ? 
PRD_000752 1 2  C  CYS 1  N  GLY 2  sing 1 ? ? ? 
PRD_000752 1 3  SG CYS 1  SG CYS 17 sing 1 ? ? ? 
PRD_000752 1 4  C  GLY 2  N  GLU 3  sing 1 ? ? ? 
PRD_000752 1 5  C  GLU 3  N  SER 4  sing 1 ? ? ? 
PRD_000752 1 6  C  SER 4  N  CYS 5  sing 1 ? ? ? 
PRD_000752 1 7  C  CYS 5  N  VAL 6  sing 1 ? ? ? 
PRD_000752 1 8  SG CYS 5  SG CYS 19 sing 1 ? ? ? 
PRD_000752 1 9  C  VAL 6  N  TRP 7  sing 1 ? ? ? 
PRD_000752 1 10 C  TRP 7  N  ILE 8  sing 1 ? ? ? 
PRD_000752 1 11 C  ILE 8  N  PRO 9  sing 1 ? ? ? 
PRD_000752 1 12 C  PRO 9  N  CYS 10 sing 1 ? ? ? 
PRD_000752 1 13 C  CYS 10 N  ILE 11 sing 1 ? ? ? 
PRD_000752 1 14 SG CYS 10 SG CYS 24 sing 1 ? ? ? 
PRD_000752 1 15 C  ILE 11 N  SER 12 sing 1 ? ? ? 
PRD_000752 1 16 C  SER 12 N  ALA 13 sing 1 ? ? ? 
PRD_000752 1 17 C  ALA 13 N  ALA 14 sing 1 ? ? ? 
PRD_000752 1 18 C  ALA 14 N  LEU 15 sing 1 ? ? ? 
PRD_000752 1 19 C  LEU 15 N  GLY 16 sing 1 ? ? ? 
PRD_000752 1 20 C  GLY 16 N  CYS 17 sing 1 ? ? ? 
PRD_000752 1 21 C  CYS 17 N  SER 18 sing 1 ? ? ? 
PRD_000752 1 22 C  SER 18 N  CYS 19 sing 1 ? ? ? 
PRD_000752 1 23 C  CYS 19 N  LYS 20 sing 1 ? ? ? 
PRD_000752 1 24 C  LYS 20 N  ASN 21 sing 1 ? ? ? 
PRD_000752 1 25 C  ASN 21 N  LYS 22 sing 1 ? ? ? 
PRD_000752 1 26 C  LYS 22 N  VAL 23 sing 1 ? ? ? 
PRD_000752 1 27 C  VAL 23 N  CYS 24 sing 1 ? ? ? 
PRD_000752 1 28 C  CYS 24 N  TYR 25 sing 1 ? ? ? 
PRD_000752 1 29 C  TYR 25 N  ARG 26 sing 1 ? ? ? 
PRD_000752 1 30 C  ARG 26 N  ASN 27 sing 1 ? ? ? 
PRD_000752 1 31 C  ASN 27 N  GLY 28 sing 1 ? ? ? 
PRD_000752 1 32 C  GLY 28 N  ILE 29 sing 1 ? ? ? 
PRD_000752 1 33 C  ILE 29 N  PRO 30 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000752 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         P56871 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000752 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000752 1 1  CYS CYS N Y 
PRD_000752 1 2  GLY GLY N Y 
PRD_000752 1 3  GLU GLU N Y 
PRD_000752 1 4  SER SER N Y 
PRD_000752 1 5  CYS CYS N Y 
PRD_000752 1 6  VAL VAL N Y 
PRD_000752 1 7  TRP TRP N Y 
PRD_000752 1 8  ILE ILE N Y 
PRD_000752 1 9  PRO PRO N Y 
PRD_000752 1 10 CYS CYS N Y 
PRD_000752 1 11 ILE ILE N Y 
PRD_000752 1 12 SER SER N Y 
PRD_000752 1 13 ALA ALA N Y 
PRD_000752 1 14 ALA ALA N Y 
PRD_000752 1 15 LEU LEU N Y 
PRD_000752 1 16 GLY GLY N Y 
PRD_000752 1 17 CYS CYS N Y 
PRD_000752 1 18 SER SER N Y 
PRD_000752 1 19 CYS CYS N Y 
PRD_000752 1 20 LYS LYS N Y 
PRD_000752 1 21 ASN ASN N Y 
PRD_000752 1 22 LYS LYS N Y 
PRD_000752 1 23 VAL VAL N Y 
PRD_000752 1 24 CYS CYS N Y 
PRD_000752 1 25 TYR TYR N Y 
PRD_000752 1 26 ARG ARG N Y 
PRD_000752 1 27 ASN ASN N Y 
PRD_000752 1 28 GLY GLY N Y 
PRD_000752 1 29 ILE ILE N Y 
PRD_000752 1 30 PRO PRO N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000752 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 58431 
_pdbx_reference_entity_src_nat.organism_scientific   "Chassalia parviflora" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               P56871 
_pdbx_reference_entity_src_nat.db_name               UniProt 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000752 2012-02-03 RCSB "Create molecule"    
PRD_000752 2012-07-09 PDBE "Other modification" 
PRD_000752 2013-06-03 RCSB "Other modification" 
PRD_000752 2020-08-12 RCSB "Initial release"    
PRD_000752 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000754
# 
_pdbx_reference_molecule.prd_id                       PRD_000754 
_pdbx_reference_molecule.name                         PSEUDO-IODOTYROSTATIN 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H27 I N2 O4" 
_pdbx_reference_molecule.formula_weight               522.375 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1nlu 
# 
_pdbx_reference_entity_list.prd_id          PRD_000754 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "INHIBITOR PSEUDOIODOTYROSTATIN" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000754 1 1 C IVA 1 N PHI 2 sing 1 ? ? ? 
PRD_000754 1 2 C PHI 2 N TYB 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000754 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000754 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000754 1 1 IVA VAL N Y 
PRD_000754 1 2 PHI PHE N Y 
PRD_000754 1 3 TYB TYR N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000754 2012-02-01 RCSB "Create molecule"    
PRD_000754 2012-07-09 PDBE "Other modification" 
PRD_000754 2012-12-12 RCSB "Initial release"    
PRD_000754 2013-06-03 RCSB "Other modification" 
PRD_000754 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000755
# 
_pdbx_reference_molecule.prd_id                       PRD_000755 
_pdbx_reference_molecule.name                         "BOC ALA ALA PRO PVA" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H37 N4 O8 P" 
_pdbx_reference_molecule.formula_weight               492.504 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1p11 
# 
_pdbx_reference_entity_list.prd_id          PRD_000755 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PHOSPHONATE ESTER INHIBITOR B(TRANSITION STATE)" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000755 1 1 N ALA 2 C BOC 1 sing 1 ? ? ? 
PRD_000755 1 2 N ALA 3 C ALA 2 sing 1 ? ? ? 
PRD_000755 1 3 N PRO 4 C ALA 3 sing 1 ? ? ? 
PRD_000755 1 4 N PVA 5 C PRO 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000755 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000755 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000755 1 1 BOC ?   N Y 
PRD_000755 1 2 ALA ALA N Y 
PRD_000755 1 3 ALA ALA N Y 
PRD_000755 1 4 PRO PRO N Y 
PRD_000755 1 5 PVA ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000755 2012-02-03 RCSB "Create molecule"    
PRD_000755 2012-07-09 PDBE "Other modification" 
PRD_000755 2012-12-12 RCSB "Initial release"    
PRD_000755 2013-06-03 RCSB "Other modification" 
PRD_000755 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000756
# 
_pdbx_reference_molecule.prd_id                       PRD_000756 
_pdbx_reference_molecule.name                         "N-(3-carboxypropanoyl)-L-valyl-N-[(1R)-5-amino-1-phosphonopentyl]-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C19 H35 N4 O8 P" 
_pdbx_reference_molecule.formula_weight               478.477 
_pdbx_reference_molecule.chem_comp_id                 0H8 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1au8 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000756 
_pdbx_reference_entity_subcomponents.seq            "SIN VAL PRO KPH" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0H8 
# 
_pdbx_reference_entity_list.prd_id          PRD_000756 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000756 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000756 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000756 1 1 SIN .   N Y 
PRD_000756 1 2 VAL VAL N Y 
PRD_000756 1 3 PRO PRO N Y 
PRD_000756 1 4 KPH .   N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000756 1 1 1 C4 SIN 1 N  VAL 2 SING ? ? ? 
PRD_000756 1 1 2 C  VAL 2 N  PRO 3 SING ? ? ? 
PRD_000756 1 1 3 C  PRO 3 N1 KPH 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000756 2012-02-08 RCSB "Create molecule"    
PRD_000756 2012-05-01 RCSB "Other modification" 
PRD_000756 2012-07-09 PDBE "Other modification" 
PRD_000756 2012-12-12 RCSB "Initial release"    
PRD_000756 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000758
# 
_pdbx_reference_molecule.prd_id                       PRD_000758 
_pdbx_reference_molecule.name                         "THIOPEPTIDE THIOSTREPTON REDUCED AT N-CA BOND OF RESIDUE 14" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Thiopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C72 H86 N19 O18 S5" 
_pdbx_reference_molecule.formula_weight               1665.895 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;THIOSTREPTON IS A MEMBER OF A SULPHUR-RICH HETEROCYCLIC PEPTIDES
CLASS. ALL SHARE A MACROCYCLIC CORE, CONSISTING OF A
NITROGEN CONTAINING, SIX-MEMBERED RING CENTRAL TO DEHYDROAMINO
ACIDS AND A SUBSET OF FIVE MEMBER RING STRUCTURES INCLUDING
THIAZOLES, THIAZOLINES AND OXAZOLES.
HERE, THIOSTREPTON IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;THIOSTREPTON IS A HETEROCYCLIC THIOPEPTIDE,
CONSISTING OF FOUR THIAZOLES, ONE THIOZOLINE,
ONE PIPERIDEINE RINGS.
A MODIFIED QUINOLINE, RESIDUE 0, IS LINKED TO
MAIN-CHAIN RESIDUE 1 AND SIDE-CHAIN OF RESIDUE 12.
IN THIS ENTRY RESIDUE 14 WAS CHEMICALLY MODIFIED TO
HAVE A SINGLE BOND N-CA.
;
_pdbx_reference_molecule.representative_PDB_id_code   2l2z 
# 
_pdbx_reference_entity_list.prd_id          PRD_000758 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "THIOPEPTIDE THIOSTREPTON REDUCED AT N-CA BOND OF RESIDUE 14" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000758 1 1  C11 QUA 1  OG1 THR 13 sing 1 ? ? ? 
PRD_000758 1 2  C7  QUA 1  N   ILE 2  sing 1 ? ? ? 
PRD_000758 1 3  C   ILE 2  N   ALA 3  sing 1 ? ? ? 
PRD_000758 1 4  C   ALA 3  N   DHA 4  sing 1 ? ? ? 
PRD_000758 1 5  C   DHA 4  N   ALA 5  sing 1 ? ? ? 
PRD_000758 1 6  C   ALA 5  N   SER 6  sing 1 ? ? ? 
PRD_000758 1 7  CB  SER 6  CB  DSN 15 sing 1 ? ? ? 
PRD_000758 1 8  C   SER 6  N   BB9 7  doub 1 ? ? ? 
PRD_000758 1 9  C   SER 6  SG  BB9 7  sing 1 ? ? ? 
PRD_000758 1 10 CA  SER 6  C   BB9 14 sing 1 ? ? ? 
PRD_000758 1 11 C   BB9 7  N   THR 8  sing 1 ? ? ? 
PRD_000758 1 12 C   THR 8  N   DBU 9  sing 1 ? ? ? 
PRD_000758 1 13 C   DBU 9  SG  DCY 10 sing 1 ? ? ? 
PRD_000758 1 14 C   DBU 9  N   DCY 10 doub 1 ? ? ? 
PRD_000758 1 15 C   DCY 10 N   TS9 11 sing 1 ? ? ? 
PRD_000758 1 16 C   TS9 11 SG  BB9 12 sing 1 ? ? ? 
PRD_000758 1 17 C   TS9 11 N   BB9 12 doub 1 ? ? ? 
PRD_000758 1 18 C   BB9 12 N   THR 13 sing 1 ? ? ? 
PRD_000758 1 19 C   THR 13 SG  BB9 14 sing 1 ? ? ? 
PRD_000758 1 20 C   THR 13 N   BB9 14 doub 1 ? ? ? 
PRD_000758 1 21 C   BB9 14 N   DSN 15 doub 1 ? ? ? 
PRD_000758 1 22 C   DSN 15 SG  BB9 16 sing 1 ? ? ? 
PRD_000758 1 23 C   DSN 15 N   BB9 16 doub 1 ? ? ? 
PRD_000758 1 24 C   BB9 16 N   DHA 17 sing 1 ? ? ? 
PRD_000758 1 25 C   DHA 17 N   DHA 18 sing 1 ? ? ? 
PRD_000758 1 26 C   DHA 18 N   NH2 19 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000758 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         P0C8P8 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000758 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000758 1 1  QUA ?   N Y 
PRD_000758 1 2  ILE ILE N Y 
PRD_000758 1 3  ALA ALA N Y 
PRD_000758 1 4  DHA SER N Y 
PRD_000758 1 5  ALA ALA N Y 
PRD_000758 1 6  SER SER N Y 
PRD_000758 1 7  BB9 CYS N Y 
PRD_000758 1 8  THR THR N Y 
PRD_000758 1 9  DBU THR N Y 
PRD_000758 1 10 DCY CYS N Y 
PRD_000758 1 11 TS9 ILE N Y 
PRD_000758 1 12 BB9 CYS N Y 
PRD_000758 1 13 THR THR N Y 
PRD_000758 1 14 BB9 CYS N Y 
PRD_000758 1 15 DSN SER N Y 
PRD_000758 1 16 BB9 CYS N Y 
PRD_000758 1 17 DHA SER N Y 
PRD_000758 1 18 DHA SER N Y 
PRD_000758 1 19 NH2 ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000758 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 146537 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces azureus MST-AS4632" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               P0C8P8 
_pdbx_reference_entity_src_nat.db_name               UniProtKB 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000758 2012-02-08 RCSB "Create molecule"    
PRD_000758 2012-07-09 PDBE "Other modification" 
PRD_000758 2012-07-31 RCSB "Other modification" 
PRD_000758 2012-12-12 RCSB "Initial release"    
PRD_000758 2013-06-03 RCSB "Other modification" 
PRD_000758 2017-05-04 RCSB "Other modification" 
PRD_000758 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000759
# 
_pdbx_reference_molecule.prd_id                       PRD_000759 
_pdbx_reference_molecule.name                         "THIOPEPTIDE THIOSTREPTON WITH EPIMER FORM OF RESIDUE 9" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Thiopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C69 H81 N18 O17 S5" 
_pdbx_reference_molecule.formula_weight               1594.817 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;THIOSTREPTON IS A MEMBER OF A SULPHUR-RICH HETEROCYCLIC PEPTIDES
CLASS. ALL SHARE A MACROCYCLIC CORE, CONSISTING OF A
NITROGEN CONTAINING, SIX-MEMBERED RING CENTRAL TO DEHYDROAMINO
ACIDS AND A SUBSET OF FIVE MEMBER RING STRUCTURES INCLUDING
THIAZOLES, THIAZOLINES AND OXAZOLES.
HERE, THIOSTREPTON IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;THIOSTREPTON IS A HETEROCYCLIC THIOPEPTIDE,
CONSISTING OF FOUR THIAZOLES ONE THIOZOLINE
ONE PIPERIDEINE RINGS.
A MODIFIED QUINOLINE, RESIDUE 0, IS LINKED TO
MAIN-CHAIN RESIDUE 1 AND SIDE-CHAIN OF RESIDUE 12.
IN THIS ENTRY RESIDUE 9 WAS CHEMICALLY MODIFIED
FROM D-CYS TO L-CYS AND RESIDUE 17 (HET DHA)
WAS DELETED.
;
_pdbx_reference_molecule.representative_PDB_id_code   2l2y 
# 
_pdbx_reference_entity_list.prd_id          PRD_000759 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "THIOPEPTIDE THIOSTREPTON WITH EPIMER FORM OF RESIDUE 9" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000759 1 1  C11 QUA 1  OG1 THR 13 sing 1 ? ? ? 
PRD_000759 1 2  C7  QUA 1  N   ILE 2  sing 1 ? ? ? 
PRD_000759 1 3  C   ILE 2  N   ALA 3  sing 1 ? ? ? 
PRD_000759 1 4  C   ALA 3  N   DHA 4  sing 1 ? ? ? 
PRD_000759 1 5  C   DHA 4  N   ALA 5  sing 1 ? ? ? 
PRD_000759 1 6  C   ALA 5  N   SER 6  sing 1 ? ? ? 
PRD_000759 1 7  CB  SER 6  CB  MH6 15 sing 1 ? ? ? 
PRD_000759 1 8  C   SER 6  N   BB9 7  doub 1 ? ? ? 
PRD_000759 1 9  C   SER 6  SG  BB9 7  sing 1 ? ? ? 
PRD_000759 1 10 CA  SER 6  C   BB9 14 sing 1 ? ? ? 
PRD_000759 1 11 C   BB9 7  N   THR 8  sing 1 ? ? ? 
PRD_000759 1 12 C   THR 8  N   DBU 9  sing 1 ? ? ? 
PRD_000759 1 13 C   DBU 9  SG  CYS 10 sing 1 ? ? ? 
PRD_000759 1 14 C   DBU 9  N   CYS 10 doub 1 ? ? ? 
PRD_000759 1 15 C   CYS 10 N   TS9 11 sing 1 ? ? ? 
PRD_000759 1 16 C   TS9 11 SG  BB9 12 sing 1 ? ? ? 
PRD_000759 1 17 C   TS9 11 N   BB9 12 doub 1 ? ? ? 
PRD_000759 1 18 C   BB9 12 N   THR 13 sing 1 ? ? ? 
PRD_000759 1 19 C   THR 13 SG  BB9 14 sing 1 ? ? ? 
PRD_000759 1 20 C   THR 13 N   BB9 14 doub 1 ? ? ? 
PRD_000759 1 21 C   BB9 14 N   MH6 15 sing 1 ? ? ? 
PRD_000759 1 22 C   MH6 15 SG  BB9 16 sing 1 ? ? ? 
PRD_000759 1 23 C   MH6 15 N   BB9 16 doub 1 ? ? ? 
PRD_000759 1 24 C   BB9 16 N   DHA 17 sing 1 ? ? ? 
PRD_000759 1 25 C   DHA 17 N   NH2 18 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000759 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         P0C8P8 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000759 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000759 1 1  QUA ?   N Y 
PRD_000759 1 2  ILE ILE N Y 
PRD_000759 1 3  ALA ALA N Y 
PRD_000759 1 4  DHA SER N Y 
PRD_000759 1 5  ALA ALA N Y 
PRD_000759 1 6  SER SER N Y 
PRD_000759 1 7  BB9 CYS N Y 
PRD_000759 1 8  THR THR N Y 
PRD_000759 1 9  DBU THR N Y 
PRD_000759 1 10 CYS CYS N Y 
PRD_000759 1 11 TS9 ILE N Y 
PRD_000759 1 12 BB9 CYS N Y 
PRD_000759 1 13 THR THR N Y 
PRD_000759 1 14 BB9 CYS N Y 
PRD_000759 1 15 MH6 SER N Y 
PRD_000759 1 16 BB9 CYS N Y 
PRD_000759 1 17 DHA SER N Y 
PRD_000759 1 18 NH2 ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000759 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 146537 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces azureus MST-AS4632" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               P0C8P8 
_pdbx_reference_entity_src_nat.db_name               UniProtKB 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000759 2012-02-08 RCSB "Create molecule"    
PRD_000759 2012-07-09 PDBE "Other modification" 
PRD_000759 2012-07-31 RCSB "Other modification" 
PRD_000759 2012-12-12 RCSB "Initial release"    
PRD_000759 2013-06-03 RCSB "Other modification" 
PRD_000759 2017-05-04 RCSB "Other modification" 
PRD_000759 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000760
# 
_pdbx_reference_molecule.prd_id                       PRD_000760 
_pdbx_reference_molecule.name                         "THIOPEPTIDE THIOSTREPTON OXIDIZED AT CA-CB BOND OF RESIDUE 9" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Thiopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C69 H79 N18 O17 S5" 
_pdbx_reference_molecule.formula_weight               1592.801 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;THIOSTREPTON IS A MEMBER OF A SULPHUR-RICH HETEROCYCLIC PEPTIDES
CLASS. ALL SHARE A MACROCYCLIC CORE, CONSISTING OF A
NITROGEN CONTAINING, SIX-MEMBERED RING CENTRAL TO DEHYDROAMINO
ACIDS AND A SUBSET OF FIVE MEMBER RING STRUCTURES INCLUDING
THIAZOLES, THIAZOLINES AND OXAZOLES.
HERE, THIOSTREPTON IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;THIOSTREPTON IS A HETEROCYCLIC THIOPEPTIDE,
CONSISTING OF FOUR THIAZOLES ONE THIOZOLINE
ONE PIPERIDEINE RINGS.
A MODIFIED QUINOLINE LINKED TO MAIN-CHAIN
RESIDUE 1 AND SIDE-CHAIN OF RESIDUE 12.
IN THIS ENTRY RESIDUE 9 WAS CHEMICALLY MODIFIED: THE
CA-CB BOND WAS OXIDIZED FROM SINGLE TO DOUBLE.
RESIDUE 17 (HET DHA) WAS DELETED.
;
_pdbx_reference_molecule.representative_PDB_id_code   2l2x 
# 
_pdbx_reference_entity_list.prd_id          PRD_000760 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "THIOPEPTIDE THIOSTREPTON OXIDIZED AT CA-CB BOND OF RESIDUE 9" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000760 1 1  C11 QUA 1  OG1 THR 13 sing 1 ? ? ? 
PRD_000760 1 2  C7  QUA 1  N   ILE 2  sing 1 ? ? ? 
PRD_000760 1 3  C   ILE 2  N   ALA 3  sing 1 ? ? ? 
PRD_000760 1 4  C   ALA 3  N   DHA 4  sing 1 ? ? ? 
PRD_000760 1 5  C   DHA 4  N   ALA 5  sing 1 ? ? ? 
PRD_000760 1 6  C   ALA 5  N   SER 6  sing 1 ? ? ? 
PRD_000760 1 7  CB  SER 6  CB  MH6 15 sing 1 ? ? ? 
PRD_000760 1 8  C   SER 6  N   BB9 7  doub 1 ? ? ? 
PRD_000760 1 9  C   SER 6  SG  BB9 7  sing 1 ? ? ? 
PRD_000760 1 10 CA  SER 6  C   BB9 14 sing 1 ? ? ? 
PRD_000760 1 11 C   BB9 7  N   THR 8  sing 1 ? ? ? 
PRD_000760 1 12 C   THR 8  N   DBU 9  sing 1 ? ? ? 
PRD_000760 1 13 C   DBU 9  SG  BB9 10 sing 1 ? ? ? 
PRD_000760 1 14 C   DBU 9  N   BB9 10 doub 1 ? ? ? 
PRD_000760 1 15 C   BB9 10 N   TS9 11 sing 1 ? ? ? 
PRD_000760 1 16 C   TS9 11 SG  BB9 12 sing 1 ? ? ? 
PRD_000760 1 17 C   TS9 11 N   BB9 12 doub 1 ? ? ? 
PRD_000760 1 18 C   BB9 12 N   THR 13 sing 1 ? ? ? 
PRD_000760 1 19 C   THR 13 SG  BB9 14 sing 1 ? ? ? 
PRD_000760 1 20 C   THR 13 N   BB9 14 doub 1 ? ? ? 
PRD_000760 1 21 C   BB9 14 N   MH6 15 sing 1 ? ? ? 
PRD_000760 1 22 C   MH6 15 SG  BB9 16 sing 1 ? ? ? 
PRD_000760 1 23 C   MH6 15 N   BB9 16 doub 1 ? ? ? 
PRD_000760 1 24 C   BB9 16 N   DHA 17 sing 1 ? ? ? 
PRD_000760 1 25 C   DHA 17 N   NH2 18 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000760 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         P0C8P8 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000760 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000760 1 1  QUA ?   N Y 
PRD_000760 1 2  ILE ILE N Y 
PRD_000760 1 3  ALA ALA N Y 
PRD_000760 1 4  DHA SER N Y 
PRD_000760 1 5  ALA ALA N Y 
PRD_000760 1 6  SER SER N Y 
PRD_000760 1 7  BB9 CYS N Y 
PRD_000760 1 8  THR THR N Y 
PRD_000760 1 9  DBU THR N Y 
PRD_000760 1 10 BB9 CYS N Y 
PRD_000760 1 11 TS9 ILE N Y 
PRD_000760 1 12 BB9 CYS N Y 
PRD_000760 1 13 THR THR N Y 
PRD_000760 1 14 BB9 CYS N Y 
PRD_000760 1 15 MH6 SER N Y 
PRD_000760 1 16 BB9 CYS N Y 
PRD_000760 1 17 DHA SER N Y 
PRD_000760 1 18 NH2 ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000760 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 146537 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces azureus MST-AS4632" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               P0C8P8 
_pdbx_reference_entity_src_nat.db_name               UniProtKB 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000760 2012-02-08 RCSB "Create molecule"    
PRD_000760 2012-07-09 PDBE "Other modification" 
PRD_000760 2012-07-31 RCSB "Other modification" 
PRD_000760 2012-12-12 RCSB "Initial release"    
PRD_000760 2013-06-03 RCSB "Other modification" 
PRD_000760 2017-05-04 RCSB "Other modification" 
PRD_000760 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000762
# 
_pdbx_reference_molecule.prd_id                       PRD_000762 
_pdbx_reference_molecule.name                         METHANOBACTIN 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Chalkophore, Polypeptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Metal Transport" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C45 H56 Cu N10 O16 S5" 
_pdbx_reference_molecule.formula_weight               1216.855 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2xjh 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000762 1 1 polymer     "Methanobactin peptide" 
PRD_000762 2 2 non-polymer "Copper atom"           
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000762 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "COPPER (II) ION" 
_pdbx_reference_entity_nonpoly.chem_comp_id    CU 
_pdbx_reference_entity_nonpoly.details         ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000762 1 PN 1 2 BB9 SG 2 ? CU CU sing 1 2 ? ? ? 
PRD_000762 2 PN 1 2 BB9 N  2 ? CU CU sing 1 2 ? ? ? 
PRD_000762 3 PN 1 8 BB9 SG 2 ? CU CU sing 1 2 ? ? ? 
PRD_000762 4 PN 1 8 BB9 N  2 ? CU CU sing 1 2 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000762 1 1  C1  COI 1  N  BB9 2  doub 1 ? ? ? 
PRD_000762 1 2  O2  COI 1  C  BB9 2  sing 1 ? ? ? 
PRD_000762 1 3  CB  BB9 2  N  GLY 3  sing 1 ? ? ? 
PRD_000762 1 4  C   GLY 3  N  SER 4  sing 1 ? ? ? 
PRD_000762 1 5  C   SER 4  N  CYS 5  sing 1 ? ? ? 
PRD_000762 1 6  C   CYS 5  N  TYR 6  sing 1 ? ? ? 
PRD_000762 1 7  SG  CYS 5  SG CYS 10 sing 1 ? ? ? 
PRD_000762 1 8  C   TYR 6  N  PRO 7  sing 1 ? ? ? 
PRD_000762 1 9  C   PRO 7  N  BB9 8  doub 1 ? ? ? 
PRD_000762 1 10 OXT PRO 7  C  BB9 8  sing 1 ? ? ? 
PRD_000762 1 11 CB  BB9 8  N  SER 9  sing 1 ? ? ? 
PRD_000762 1 12 C   SER 9  N  CYS 10 sing 1 ? ? ? 
PRD_000762 1 13 C   CYS 10 N  MET 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000762 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         E3YBA4 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000762 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000762 1 1  COI LEU N Y 
PRD_000762 1 2  BB9 CYS N Y 
PRD_000762 1 3  GLY GLY N Y 
PRD_000762 1 4  SER SER N Y 
PRD_000762 1 5  CYS CYS N Y 
PRD_000762 1 6  TYR TYR N Y 
PRD_000762 1 7  PRO PRO N Y 
PRD_000762 1 8  BB9 CYS N Y 
PRD_000762 1 9  SER SER N Y 
PRD_000762 1 10 CYS CYS N Y 
PRD_000762 1 11 MET MET N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000762 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 595536 
_pdbx_reference_entity_src_nat.organism_scientific   "METHYLOSINUS TRICHOSPORIUM" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               E3YBA4 
_pdbx_reference_entity_src_nat.db_name               UniProt 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000762 2012-04-30 RCSB "Create molecule"    
PRD_000762 2012-07-09 PDBE "Other modification" 
PRD_000762 2012-07-09 RCSB "Modify type"        
PRD_000762 2012-12-12 RCSB "Initial release"    
PRD_000762 2013-06-03 RCSB "Other modification" 
PRD_000762 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000764
# 
_pdbx_reference_molecule.prd_id                       PRD_000764 
_pdbx_reference_molecule.name                         "CYCLOSPORIN D, 5,7 mutation" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Immunosuppressant 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C64 H117 N11 O12 S" 
_pdbx_reference_molecule.formula_weight               1264.745 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE.
HERE, CYCLOSPORIN D IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE.
CYCLIZATION IS ACHIEVED BY LINKING THE N- AND
THE C- TERMINI.
CYCLOSPORIN D IS A NATURAL ANALOG OF CYCLOSPORIN A,
OBTAINED IN DIFFERENT NUTRIENT BROTH AND
DIFFERS FROM CYCLOSPORIN IN RESIDUE 6 (ABA6VAL).
THE CYCLOSPORIN D MOLECULE WAS MODIFIED AT
POSITIONS 5 AND 7 TO BE
(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-DIMETHYL-THREONINE AND
(2-S-METHYL)-SARCOSINE, RESPECTIVELY.
;
_pdbx_reference_molecule.representative_PDB_id_code   1cwk 
# 
_pdbx_reference_entity_list.prd_id          PRD_000764 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 11" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000764 1 1  C DAL 1  N MLE 2  sing 1 ? ? ? 
PRD_000764 1 2  N DAL 1  C ALA 11 sing 1 ? ? ? 
PRD_000764 1 3  C MLE 2  N MLE 3  sing 1 ? ? ? 
PRD_000764 1 4  C MLE 3  N MVA 4  sing 1 ? ? ? 
PRD_000764 1 5  C MVA 4  N TMD 5  sing 1 ? ? ? 
PRD_000764 1 6  C TMD 5  N VAL 6  sing 1 ? ? ? 
PRD_000764 1 7  C VAL 6  N MSA 7  sing 1 ? ? ? 
PRD_000764 1 8  C MSA 7  N MLE 8  sing 1 ? ? ? 
PRD_000764 1 9  C MLE 8  N VAL 9  sing 1 ? ? ? 
PRD_000764 1 10 C VAL 9  N MLE 10 sing 1 ? ? ? 
PRD_000764 1 11 C MLE 10 N ALA 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000764 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00036 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000764 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000764 1 1  DAL ALA N Y 
PRD_000764 1 2  MLE LEU N Y 
PRD_000764 1 3  MLE LEU N Y 
PRD_000764 1 4  MVA VAL N Y 
PRD_000764 1 5  TMD THR N Y 
PRD_000764 1 6  VAL VAL N Y 
PRD_000764 1 7  MSA GLY N Y 
PRD_000764 1 8  MLE LEU N Y 
PRD_000764 1 9  VAL VAL N Y 
PRD_000764 1 10 MLE LEU N Y 
PRD_000764 1 11 ALA ALA N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000764 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 29910 
_pdbx_reference_entity_src_nat.organism_scientific   "Tolypocladium inflatum" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00033 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000764 2012-02-08 RCSB "Create molecule"    
PRD_000764 2012-07-09 PDBE "Other modification" 
PRD_000764 2012-07-31 RCSB "Other modification" 
PRD_000764 2012-12-12 RCSB "Initial release"    
PRD_000764 2013-06-03 RCSB "Other modification" 
PRD_000764 2017-05-04 RCSB "Other modification" 
PRD_000764 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000765
# 
_pdbx_reference_molecule.prd_id                       PRD_000765 
_pdbx_reference_molecule.name                         "CYCLOSPORIN A, 5 mutation" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Immunosuppressant 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C63 H113 N11 O12" 
_pdbx_reference_molecule.formula_weight               1216.638 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE.
HERE, CYCLOSPORIN A IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE.
CYCLIZATION IS ACHIEVED BY LINKING THE N- AND
THE C- TERMINI.
THE CYCLOSPORIN WAS MODIFIED AT POSITION 5 TO BE
4-[(E)-2-BUTENYL]-4,4,N-TRIMETHYL-L-THREONINE
;
_pdbx_reference_molecule.representative_PDB_id_code   1cwb 
# 
_pdbx_reference_entity_list.prd_id          PRD_000765 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 11" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000765 1 1  C DAL 1  N MLE 2  sing 1 ? ? ? 
PRD_000765 1 2  N DAL 1  C ALA 11 sing 1 ? ? ? 
PRD_000765 1 3  C MLE 2  N MLE 3  sing 1 ? ? ? 
PRD_000765 1 4  C MLE 3  N MVA 4  sing 1 ? ? ? 
PRD_000765 1 5  C MVA 4  N DMT 5  sing 1 ? ? ? 
PRD_000765 1 6  C DMT 5  N ABA 6  sing 1 ? ? ? 
PRD_000765 1 7  C ABA 6  N SAR 7  sing 1 ? ? ? 
PRD_000765 1 8  C SAR 7  N MLE 8  sing 1 ? ? ? 
PRD_000765 1 9  C MLE 8  N VAL 9  sing 1 ? ? ? 
PRD_000765 1 10 C VAL 9  N MLE 10 sing 1 ? ? ? 
PRD_000765 1 11 C MLE 10 N ALA 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000765 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00033 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000765 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000765 1 1  DAL ALA N Y 
PRD_000765 1 2  MLE LEU N Y 
PRD_000765 1 3  MLE LEU N Y 
PRD_000765 1 4  MVA VAL N Y 
PRD_000765 1 5  DMT ?   N Y 
PRD_000765 1 6  ABA THR N Y 
PRD_000765 1 7  SAR GLY N Y 
PRD_000765 1 8  MLE LEU N Y 
PRD_000765 1 9  VAL VAL N Y 
PRD_000765 1 10 MLE LEU N Y 
PRD_000765 1 11 ALA ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000765 2012-02-03 RCSB "Create molecule"    
PRD_000765 2012-07-09 PDBE "Other modification" 
PRD_000765 2012-12-12 RCSB "Initial release"    
PRD_000765 2013-06-03 RCSB "Other modification" 
PRD_000765 2017-05-04 RCSB "Other modification" 
PRD_000765 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000766
# 
_pdbx_reference_molecule.prd_id                       PRD_000766 
_pdbx_reference_molecule.name                         "CYCLOSPORIN A, 6 mutation" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Immunosuppressant 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C63 H113 N11 O13" 
_pdbx_reference_molecule.formula_weight               1232.637 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE.
HERE, CYCLOSPORIN A  IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE.
CYCLIZATION IS ACHIEVED BY LINKING THE N- AND
THE C- TERMINI.
THE CYCLOSPORIN A MOLECULE WAS MODIFIED AT
POSITION 6 TO BE 2-AMINO-5-HYDROXYPENTANOIC ACID
;
_pdbx_reference_molecule.representative_PDB_id_code   1mik 
# 
_pdbx_reference_entity_list.prd_id          PRD_000766 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 11" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000766 1 1  N DAL 1  C ALA 11 sing 1 ? ? ? 
PRD_000766 1 2  C DAL 1  N MLE 2  sing 1 ? ? ? 
PRD_000766 1 3  C MLE 2  N MLE 3  sing 1 ? ? ? 
PRD_000766 1 4  C MLE 3  N MVA 4  sing 1 ? ? ? 
PRD_000766 1 5  C MVA 4  N BMT 5  sing 1 ? ? ? 
PRD_000766 1 6  C BMT 5  N AA4 6  sing 1 ? ? ? 
PRD_000766 1 7  C AA4 6  N SAR 7  sing 1 ? ? ? 
PRD_000766 1 8  C SAR 7  N MLE 8  sing 1 ? ? ? 
PRD_000766 1 9  C MLE 8  N VAL 9  sing 1 ? ? ? 
PRD_000766 1 10 C VAL 9  N MLE 10 sing 1 ? ? ? 
PRD_000766 1 11 C MLE 10 N ALA 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000766 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00033 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000766 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000766 1 1  DAL ALA N Y 
PRD_000766 1 2  MLE LEU N Y 
PRD_000766 1 3  MLE LEU N Y 
PRD_000766 1 4  MVA VAL N Y 
PRD_000766 1 5  BMT THR N Y 
PRD_000766 1 6  AA4 ?   N Y 
PRD_000766 1 7  SAR GLY N Y 
PRD_000766 1 8  MLE LEU N Y 
PRD_000766 1 9  VAL VAL N Y 
PRD_000766 1 10 MLE LEU N Y 
PRD_000766 1 11 ALA ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000766 2012-02-03 RCSB "Create molecule"    
PRD_000766 2012-07-09 PDBE "Other modification" 
PRD_000766 2012-12-12 RCSB "Initial release"    
PRD_000766 2013-06-03 RCSB "Other modification" 
PRD_000766 2017-05-04 RCSB "Other modification" 
PRD_000766 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000767
# 
_pdbx_reference_molecule.prd_id                       PRD_000767 
_pdbx_reference_molecule.name                         "CYCLOSPORIN A, 7 mutation" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Immunosuppressant 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C63 H113 N11 O13" 
_pdbx_reference_molecule.formula_weight               1232.637 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE.
HERE, CYCLOSPORIN A  IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE.
CYCLIZATION IS ACHIEVED BY LINKING THE N- AND
THE C- TERMINI.
THE CYCLOSPORIN A WAS MODIFIED AT POSITION 7
TO BE N-METHYL-D-SERINE
;
_pdbx_reference_molecule.representative_PDB_id_code   1cwh 
# 
_pdbx_reference_entity_list.prd_id          PRD_000767 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 11" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000767 1 1  C DAL 1  N MLE 2  sing 1 ? ? ? 
PRD_000767 1 2  N DAL 1  C ALA 11 sing 1 ? ? ? 
PRD_000767 1 3  C MLE 2  N MLE 3  sing 1 ? ? ? 
PRD_000767 1 4  C MLE 3  N MVA 4  sing 1 ? ? ? 
PRD_000767 1 5  C MVA 4  N BMT 5  sing 1 ? ? ? 
PRD_000767 1 6  C BMT 5  N ABA 6  sing 1 ? ? ? 
PRD_000767 1 7  C ABA 6  N DSE 7  sing 1 ? ? ? 
PRD_000767 1 8  C DSE 7  N MLE 8  sing 1 ? ? ? 
PRD_000767 1 9  C MLE 8  N VAL 9  sing 1 ? ? ? 
PRD_000767 1 10 C VAL 9  N MLE 10 sing 1 ? ? ? 
PRD_000767 1 11 C MLE 10 N ALA 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000767 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00033 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000767 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000767 1 1  DAL ALA N Y 
PRD_000767 1 2  MLE LEU N Y 
PRD_000767 1 3  MLE LEU N Y 
PRD_000767 1 4  MVA VAL N Y 
PRD_000767 1 5  BMT THR N Y 
PRD_000767 1 6  ABA THR N Y 
PRD_000767 1 7  DSE SER N Y 
PRD_000767 1 8  MLE LEU N Y 
PRD_000767 1 9  VAL VAL N Y 
PRD_000767 1 10 MLE LEU N Y 
PRD_000767 1 11 ALA ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000767 2012-02-03 RCSB "Create molecule"    
PRD_000767 2012-07-09 PDBE "Other modification" 
PRD_000767 2012-12-12 RCSB "Initial release"    
PRD_000767 2013-06-03 RCSB "Other modification" 
PRD_000767 2017-05-04 RCSB "Other modification" 
PRD_000767 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000768
# 
_pdbx_reference_molecule.prd_id                       PRD_000768 
_pdbx_reference_molecule.name                         "CYCLOSPORIN A, 8 mutation" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Immunosuppressant 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C62 H111 N11 O12" 
_pdbx_reference_molecule.formula_weight               1202.611 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE.
HERE, CYCLOSPORIN A IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE.
CYCLIZATION IS ACHIEVED BY LINKING THE N- AND
THE C- TERMINI.
THE CYCLOSPORIN A MOLECULE WAS MODIFIED AT
POSITION 8 TO BE N-METHYL-ISOLEUCINE
;
_pdbx_reference_molecule.representative_PDB_id_code   1cwm 
# 
_pdbx_reference_entity_list.prd_id          PRD_000768 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 11" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000768 1 1  C DAL 1  N MLE 2  sing 1 ? ? ? 
PRD_000768 1 2  N DAL 1  C ALA 11 sing 1 ? ? ? 
PRD_000768 1 3  C MLE 2  N MLE 3  sing 1 ? ? ? 
PRD_000768 1 4  C MLE 3  N MVA 4  sing 1 ? ? ? 
PRD_000768 1 5  C MVA 4  N BMT 5  sing 1 ? ? ? 
PRD_000768 1 6  C BMT 5  N ABA 6  sing 1 ? ? ? 
PRD_000768 1 7  C ABA 6  N SAR 7  sing 1 ? ? ? 
PRD_000768 1 8  C SAR 7  N IML 8  sing 1 ? ? ? 
PRD_000768 1 9  C IML 8  N VAL 9  sing 1 ? ? ? 
PRD_000768 1 10 C VAL 9  N MLE 10 sing 1 ? ? ? 
PRD_000768 1 11 C MLE 10 N ALA 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000768 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00033 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000768 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000768 1 1  DAL ALA N Y 
PRD_000768 1 2  MLE LEU N Y 
PRD_000768 1 3  MLE LEU N Y 
PRD_000768 1 4  MVA VAL N Y 
PRD_000768 1 5  BMT THR N Y 
PRD_000768 1 6  ABA THR N Y 
PRD_000768 1 7  SAR GLY N Y 
PRD_000768 1 8  IML ILE N Y 
PRD_000768 1 9  VAL VAL N Y 
PRD_000768 1 10 MLE LEU N Y 
PRD_000768 1 11 ALA ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000768 2012-02-03 RCSB "Create molecule"    
PRD_000768 2012-07-09 PDBE "Other modification" 
PRD_000768 2012-12-12 RCSB "Initial release"    
PRD_000768 2013-06-03 RCSB "Other modification" 
PRD_000768 2017-05-04 RCSB "Other modification" 
PRD_000768 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000769
# 
_pdbx_reference_molecule.prd_id                       PRD_000769 
_pdbx_reference_molecule.name                         "2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H34 N6 O5 S" 
_pdbx_reference_molecule.formula_weight               506.618 
_pdbx_reference_molecule.chem_comp_id                 0KV 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1ca8 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000769 
_pdbx_reference_entity_subcomponents.seq            "PMS NVA GLY 3GA" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0KV 
# 
_pdbx_reference_entity_list.prd_id          PRD_000769 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000769 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            peptide-like 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000769 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000769 1 1 PMS .   N Y 
PRD_000769 1 2 NVA VAL N Y 
PRD_000769 1 3 GLY GLY N Y 
PRD_000769 1 4 3GA ALA N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000769 1 1 1 C  GLY 3 N3 3GA 4 SING ? ? ? 
PRD_000769 1 1 2 C  NVA 2 N  GLY 3 SING ? ? ? 
PRD_000769 1 1 3 S  PMS 1 N  NVA 2 SING ? ? ? 
PRD_000769 1 1 4 CD NVA 2 N  GLY 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000769 2012-02-08 RCSB "Create molecule"    
PRD_000769 2012-05-01 RCSB "Other modification" 
PRD_000769 2012-07-09 PDBE "Other modification" 
PRD_000769 2012-12-12 RCSB "Initial release"    
PRD_000769 2017-05-04 RCSB "Other modification" 
PRD_000769 2023-09-20 PDBE "Modify audit"       
# 
data_PRD_000770
# 
_pdbx_reference_molecule.prd_id                       PRD_000770 
_pdbx_reference_molecule.name                         
;(5S, 8R, 11S)-14-[4-(BENZYLOXY)-4-OXOBUTANOYL]-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-11-
(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN-16-OIC ACID
;
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H43 N5 O14" 
_pdbx_reference_molecule.formula_weight               757.741 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2c2m 
# 
_pdbx_reference_entity_list.prd_id          PRD_000770 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "AZA-PEPTIDE MICHAEL ACCEPTOR INHIBITOR" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000770 1 1 C1 PHQ 1 N ASP 2 sing 1 ? ? ? 
PRD_000770 1 2 C  ASP 2 N GLU 3 sing 1 ? ? ? 
PRD_000770 1 3 C  GLU 3 N VAL 4 sing 1 ? ? ? 
PRD_000770 1 4 C  VAL 4 N MX4 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000770 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000770 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000770 1 1 PHQ ?   N Y 
PRD_000770 1 2 ASP ASP N Y 
PRD_000770 1 3 GLU GLU N Y 
PRD_000770 1 4 VAL VAL N Y 
PRD_000770 1 5 MX4 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000770 2012-02-08 RCSB "Create molecule"    
PRD_000770 2012-12-12 RCSB "Initial release"    
PRD_000770 2013-06-03 RCSB "Other modification" 
PRD_000770 2017-05-04 RCSB "Other modification" 
PRD_000770 2020-07-29 RCSB "Other modification" 
PRD_000770 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000771
# 
_pdbx_reference_molecule.prd_id                       PRD_000771 
_pdbx_reference_molecule.name                         "Peptide aldehyde inhibitor Ac-NSTSQ-H" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H37 N7 O11" 
_pdbx_reference_molecule.formula_weight               563.559 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3SNC 
# 
_pdbx_reference_entity_list.prd_id          PRD_000771 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000771 1 1 C ACE 1 N ASN 2 sing 1 ? ? ? 
PRD_000771 1 2 C ASN 2 N SER 3 sing 1 ? ? ? 
PRD_000771 1 3 C SER 3 N THR 4 sing 1 ? ? ? 
PRD_000771 1 4 C THR 4 N SER 5 sing 1 ? ? ? 
PRD_000771 1 5 C SER 5 N ECC 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000771 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000771 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000771 1 1 ACE ?   N Y 
PRD_000771 1 2 ASN ASN N Y 
PRD_000771 1 3 SER SER N Y 
PRD_000771 1 4 THR THR N Y 
PRD_000771 1 5 SER SER N Y 
PRD_000771 1 6 ECC GLN N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000771 2012-09-13 RCSB "Create molecule"    
PRD_000771 2012-12-12 RCSB "Initial release"    
PRD_000771 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000772
# 
_pdbx_reference_molecule.prd_id                       PRD_000772 
_pdbx_reference_molecule.name                         "Peptide aldehyde inhibitor Ac-ESTLQ-H" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H44 N6 O11" 
_pdbx_reference_molecule.formula_weight               604.650 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3SNE 
# 
_pdbx_reference_entity_list.prd_id          PRD_000772 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000772 1 1 C ACE 1 N GLU 2 sing 1 ? ? ? 
PRD_000772 1 2 C GLU 2 N SER 3 sing 1 ? ? ? 
PRD_000772 1 3 C SER 3 N THR 4 sing 1 ? ? ? 
PRD_000772 1 4 C THR 4 N LEU 5 sing 1 ? ? ? 
PRD_000772 1 5 C LEU 5 N ECC 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000772 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000772 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000772 1 1 ACE ?   N Y 
PRD_000772 1 2 GLU GLU N Y 
PRD_000772 1 3 SER SER N Y 
PRD_000772 1 4 THR THR N Y 
PRD_000772 1 5 LEU LEU N Y 
PRD_000772 1 6 ECC GLN N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000772 2012-09-13 RCSB "Create molecule"    
PRD_000772 2012-12-12 RCSB "Initial release"    
PRD_000772 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000776
# 
_pdbx_reference_molecule.prd_id                       PRD_000776 
_pdbx_reference_molecule.name                         "Lyngbyastatin 7" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C48 H66 N8 O12" 
_pdbx_reference_molecule.formula_weight               947.084 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4GVU 
# 
_pdbx_reference_entity_list.prd_id          PRD_000776 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000776 1 1 C   6NA 1 N GLN 2 sing 1 ? ? ? 
PRD_000776 1 2 C   GLN 2 N THR 3 sing 1 ? ? ? 
PRD_000776 1 3 C   THR 3 N DBU 4 sing 1 ? ? ? 
PRD_000776 1 4 OG1 THR 3 C VAL 8 sing 1 ? ? ? 
PRD_000776 1 5 C   DBU 4 N GLJ 5 sing 1 ? ? ? 
PRD_000776 1 6 C   GLJ 5 N PHE 6 sing 1 ? ? ? 
PRD_000776 1 7 CD  GLJ 5 N PHE 6 sing 1 ? ? ? 
PRD_000776 1 8 C   PHE 6 N YNM 7 sing 1 ? ? ? 
PRD_000776 1 9 C   YNM 7 N VAL 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000776 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000776 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000776 1 1 6NA ?   N Y 
PRD_000776 1 2 GLN GLN N Y 
PRD_000776 1 3 THR THR N Y 
PRD_000776 1 4 DBU THR N Y 
PRD_000776 1 5 GLJ GLU N Y 
PRD_000776 1 6 PHE PHE N Y 
PRD_000776 1 7 YNM ?   N Y 
PRD_000776 1 8 VAL VAL N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000776 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 28073 
_pdbx_reference_entity_src_nat.organism_scientific   Lyngbya 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000776 2012-09-27 RCSB "Create molecule"    
PRD_000776 2013-02-06 RCSB "Initial release"    
PRD_000776 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000777
# 
_pdbx_reference_molecule.prd_id                       PRD_000777 
_pdbx_reference_molecule.name                         "N-[(2S)-2-({N~5~-[(1E)-ethanimidoyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucine" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C41 H69 N9 O9" 
_pdbx_reference_molecule.formula_weight               832.041 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4GZF 
# 
_pdbx_reference_entity_list.prd_id          PRD_000777 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "LrF peptide" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000777 1 1 C ILO 1 N VAL 2 sing 1 ? ? ? 
PRD_000777 1 2 C VAL 2 N DC0 3 sing 1 ? ? ? 
PRD_000777 1 3 C DC0 3 N GLU 4 sing 1 ? ? ? 
PRD_000777 1 4 C GLU 4 N ALA 5 sing 1 ? ? ? 
PRD_000777 1 5 C ALA 5 N NLE 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000777 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000777 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000777 1 1 ILO ? N Y 
PRD_000777 1 2 VAL ? N Y 
PRD_000777 1 3 DC0 ? N Y 
PRD_000777 1 4 GLU ? N Y 
PRD_000777 1 5 ALA ? N Y 
PRD_000777 1 6 NLE ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000777 2012-09-28 RCSB "Create molecule" 
PRD_000777 2013-10-30 RCSB "Initial release" 
# 
data_PRD_000778
# 
_pdbx_reference_molecule.prd_id                       PRD_000778 
_pdbx_reference_molecule.name                         "N-[(2S)-2-({N~5~-[(1E)-ethanimidoyl]-L-ornithyl-L-valyl}amino)-3-phenylpropyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucine" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C44 H67 N9 O9" 
_pdbx_reference_molecule.formula_weight               866.058 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4GYE 
# 
_pdbx_reference_entity_list.prd_id          PRD_000778 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "P1F peptide" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000778 1 1 C   ILO 1 N VAL 2 sing 1 ? ? ? 
PRD_000778 1 2 C   VAL 2 N PUK 3 sing 1 ? ? ? 
PRD_000778 1 3 CT1 PUK 3 N GLU 4 sing 1 ? ? ? 
PRD_000778 1 4 C   GLU 4 N ALA 5 sing 1 ? ? ? 
PRD_000778 1 5 C   ALA 5 N NLE 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000778 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000778 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000778 1 1 ILO ? N Y 
PRD_000778 1 2 VAL ? N Y 
PRD_000778 1 3 PUK ? N Y 
PRD_000778 1 4 GLU ? N Y 
PRD_000778 1 5 ALA ? N Y 
PRD_000778 1 6 NLE ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000778 2012-09-28 RCSB "Create molecule" 
PRD_000778 2013-10-30 RCSB "Initial release" 
# 
data_PRD_000779
# 
_pdbx_reference_molecule.prd_id                       PRD_000779 
_pdbx_reference_molecule.name                         "D-PEPTIDE INHIBITOR PIE71" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C89 H127 N22 O20 S2" 
_pdbx_reference_molecule.formula_weight               1889.226 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3MGN 
# 
_pdbx_reference_entity_list.prd_id          PRD_000779 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000779 1 1  C  ACE 1  N  DLY 2  sing 1 ? ? ? 
PRD_000779 1 2  C  DLY 2  N  GLY 3  sing 1 ? ? ? 
PRD_000779 1 3  C  GLY 3  N  DPN 4  sing 1 ? ? ? 
PRD_000779 1 4  C  DPN 4  N  DVA 5  sing 1 ? ? ? 
PRD_000779 1 5  C  DVA 5  N  DCY 6  sing 1 ? ? ? 
PRD_000779 1 6  C  DCY 6  N  DPR 7  sing 1 ? ? ? 
PRD_000779 1 7  SG DCY 6  SG DCY 14 sing 1 ? ? ? 
PRD_000779 1 8  C  DPR 7  N  DPR 8  sing 1 ? ? ? 
PRD_000779 1 9  C  DPR 8  N  DGL 9  sing 1 ? ? ? 
PRD_000779 1 10 C  DGL 9  N  DTR 10 sing 1 ? ? ? 
PRD_000779 1 11 C  DTR 10 N  DAR 11 sing 1 ? ? ? 
PRD_000779 1 12 C  DAR 11 N  DTR 12 sing 1 ? ? ? 
PRD_000779 1 13 C  DTR 12 N  DLE 13 sing 1 ? ? ? 
PRD_000779 1 14 C  DLE 13 N  DCY 14 sing 1 ? ? ? 
PRD_000779 1 15 C  DCY 14 N  DAS 15 sing 1 ? ? ? 
PRD_000779 1 16 C  DAS 15 N  DLE 16 sing 1 ? ? ? 
PRD_000779 1 17 C  DLE 16 N  NH2 17 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000779 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000779 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000779 1 1  ACE ? N N 
PRD_000779 1 2  DLY ? N N 
PRD_000779 1 3  GLY ? N Y 
PRD_000779 1 4  DPN ? N Y 
PRD_000779 1 5  DVA ? N Y 
PRD_000779 1 6  DCY ? N Y 
PRD_000779 1 7  DPR ? N Y 
PRD_000779 1 8  DPR ? N Y 
PRD_000779 1 9  DGL ? N Y 
PRD_000779 1 10 DTR ? N Y 
PRD_000779 1 11 DAR ? N Y 
PRD_000779 1 12 DTR ? N Y 
PRD_000779 1 13 DLE ? N Y 
PRD_000779 1 14 DCY ? N Y 
PRD_000779 1 15 DAS ? N Y 
PRD_000779 1 16 DLE ? N Y 
PRD_000779 1 17 NH2 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000779 2012-09-27 RCSB "Create molecule"    
PRD_000779 2012-12-12 RCSB "Initial release"    
PRD_000779 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000780
# 
_pdbx_reference_molecule.prd_id                       PRD_000780 
_pdbx_reference_molecule.name                         PL-49 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H63 N9 O11 P S" 
_pdbx_reference_molecule.formula_weight               860.978 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4HAB 
# 
_pdbx_reference_entity_list.prd_id          PRD_000780 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000780 1 1 C 11Q 1 N LEU 2 sing 1 ? ? ? 
PRD_000780 1 2 C LEU 2 N HIS 3 sing 1 ? ? ? 
PRD_000780 1 3 C HIS 3 N SER 4 sing 1 ? ? ? 
PRD_000780 1 4 C SER 4 N TPO 5 sing 1 ? ? ? 
PRD_000780 1 5 C TPO 5 N MET 6 sing 1 ? ? ? 
PRD_000780 1 6 C MET 6 N NH2 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000780 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000780 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000780 1 1 11Q ? N Y 
PRD_000780 1 2 LEU ? N Y 
PRD_000780 1 3 HIS ? N Y 
PRD_000780 1 4 SER ? N Y 
PRD_000780 1 5 TPO ? N Y 
PRD_000780 1 6 MET ? N Y 
PRD_000780 1 7 NH2 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000780 2012-09-29 RCSB "Create molecule"    
PRD_000780 2013-04-03 RCSB "Initial release"    
PRD_000780 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000781
# 
_pdbx_reference_molecule.prd_id                       PRD_000781 
_pdbx_reference_molecule.name                         Thr-Asp-F-amidine 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C17 H29 F N6 O7" 
_pdbx_reference_molecule.formula_weight               448.447 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4DKT 
# 
_pdbx_reference_entity_list.prd_id          PRD_000781 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000781 1 1 C ACE 1 N THR 2 sing 1 ? ? ? 
PRD_000781 1 2 C THR 2 N ASP 3 sing 1 ? ? ? 
PRD_000781 1 3 C ASP 3 N FIO 4 sing 1 ? ? ? 
PRD_000781 1 4 C FIO 4 N NH2 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000781 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000781 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000781 1 1 ACE ? N N 
PRD_000781 1 2 THR ? N N 
PRD_000781 1 3 ASP ? N Y 
PRD_000781 1 4 FIO ? N Y 
PRD_000781 1 5 NH2 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000781 2012-10-01 RCSB "Create molecule"    
PRD_000781 2012-12-12 RCSB "Initial release"    
PRD_000781 2013-06-03 RCSB "Other modification" 
PRD_000781 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000782
# 
_pdbx_reference_molecule.prd_id                       PRD_000782 
_pdbx_reference_molecule.name                         "NALPHA-[(BENZYLOXY)CARBONYL]-N-[(2S)-1-(4-TERT-BUTOXYPHENYL)-4-HYDROXY-3-OXOBUTAN-2-YL]-L-PHENYLALANINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H36 N2 O6" 
_pdbx_reference_molecule.formula_weight               532.627 
_pdbx_reference_molecule.chem_comp_id                 I0Y 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3OF8 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000782 
_pdbx_reference_entity_subcomponents.seq            "PHQ PHE TY0" 
_pdbx_reference_entity_subcomponents.chem_comp_id   I0Y 
# 
_pdbx_reference_entity_list.prd_id          PRD_000782 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000782 1 1 N PHE 2 C1 PHQ 1 sing 1 ? ? ? 
PRD_000782 1 2 C PHE 2 N  TY0 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000782 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000782 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000782 1 1 PHQ ? N Y 
PRD_000782 1 2 PHE ? N Y 
PRD_000782 1 3 TY0 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000782 2012-09-13 RCSB "Create molecule" 
PRD_000782 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000784
# 
_pdbx_reference_molecule.prd_id                       PRD_000784 
_pdbx_reference_molecule.name                         "NALPHA-[(BENZYLOXY)CARBONYL]-N-[(1S)-1-(4-TERT-BUTOXYBENZYL)-3-DIAZO-2-OXOPROPYL]-L-PHENYLALANINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H34 N4 O5" 
_pdbx_reference_molecule.formula_weight               542.625 
_pdbx_reference_molecule.chem_comp_id                 I0X 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3OF9 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000784 
_pdbx_reference_entity_subcomponents.seq            "PHQ PHE TY1 0HQ" 
_pdbx_reference_entity_subcomponents.chem_comp_id   I0X 
# 
_pdbx_reference_entity_list.prd_id          PRD_000784 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000784 1 1 N PHE 2 C1 PHQ 1 sing 1 ? ? ? 
PRD_000784 1 2 C PHE 2 N  TY1 3 sing 1 ? ? ? 
PRD_000784 1 3 C TY1 3 C1 0HQ 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000784 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000784 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000784 1 1 PHQ ? N Y 
PRD_000784 1 2 PHE ? N Y 
PRD_000784 1 3 TY1 ? N Y 
PRD_000784 1 4 0HQ ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000784 2012-09-13 RCSB "Create molecule" 
PRD_000784 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000785
# 
_pdbx_reference_molecule.prd_id                       PRD_000785 
_pdbx_reference_molecule.name                         Largazole 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic depsipeptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H29 N4 O4 S3" 
_pdbx_reference_molecule.formula_weight               497.674 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3RQD 
# 
_pdbx_reference_entity_list.prd_id          PRD_000785 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000785 1 1 C  02G 1 N  GLY 2 sing 1 ? ? ? 
PRD_000785 1 2 O2 02G 1 C  VAL 5 sing 1 ? ? ? 
PRD_000785 1 3 C  GLY 2 SG BB9 3 sing 1 ? ? ? 
PRD_000785 1 4 C  GLY 2 N  BB9 3 doub 1 ? ? ? 
PRD_000785 1 5 C  BB9 3 SG 03Y 4 sing 1 ? ? ? 
PRD_000785 1 6 C  BB9 3 N  03Y 4 sing 1 ? ? ? 
PRD_000785 1 7 C  03Y 4 N  VAL 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000785 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000785 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000785 1 1 02G ?   N Y 
PRD_000785 1 2 GLY GLY N Y 
PRD_000785 1 3 BB9 CYS N Y 
PRD_000785 1 4 03Y CYS N Y 
PRD_000785 1 5 VAL VAL N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000785 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 105591 
_pdbx_reference_entity_src_nat.organism_scientific   Symploca 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000785 2012-09-13 RCSB "Create molecule"    
PRD_000785 2012-12-12 RCSB "Initial release"    
PRD_000785 2013-06-03 RCSB "Other modification" 
PRD_000785 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000786
# 
_pdbx_reference_molecule.prd_id                       PRD_000786 
_pdbx_reference_molecule.name                         "Peptide inhibitor (ACE)VDV(3PX)D-CHO" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "CASPASE inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H47 N5 O11" 
_pdbx_reference_molecule.formula_weight               629.700 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3RJM 
# 
_pdbx_reference_entity_list.prd_id          PRD_000786 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000786 1 1 C ACE 1 N VAL 2 sing 1 ? ? ? 
PRD_000786 1 2 C VAL 2 N ASP 3 sing 1 ? ? ? 
PRD_000786 1 3 C ASP 3 N VAL 4 sing 1 ? ? ? 
PRD_000786 1 4 C VAL 4 N 3PX 5 sing 1 ? ? ? 
PRD_000786 1 5 C 3PX 5 N ASJ 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000786 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000786 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000786 1 1 ACE ? N Y 
PRD_000786 1 2 VAL ? N Y 
PRD_000786 1 3 ASP ? N Y 
PRD_000786 1 4 VAL ? N Y 
PRD_000786 1 5 3PX ? N Y 
PRD_000786 1 6 ASJ ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000786 2012-09-13 RCSB "Create molecule"    
PRD_000786 2012-12-12 RCSB "Initial release"    
PRD_000786 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000787
# 
_pdbx_reference_molecule.prd_id                       PRD_000787 
_pdbx_reference_molecule.name                         "D-PHENYLALANYL-N-[(4-CHLOROPYRIDIN-3-YL)METHYL]-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H23 Cl N4 O2" 
_pdbx_reference_molecule.formula_weight               386.875 
_pdbx_reference_molecule.chem_comp_id                 P97 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3SHA 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000787 
_pdbx_reference_entity_subcomponents.seq            "DPN PRO NNU" 
_pdbx_reference_entity_subcomponents.chem_comp_id   P97 
# 
_pdbx_reference_entity_list.prd_id          PRD_000787 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000787 1 1 C DPN 1 N   PRO 2 sing 1 ? ? ? 
PRD_000787 1 2 C PRO 2 N16 NNU 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000787 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000787 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000787 1 1 DPN ?   N Y 
PRD_000787 1 2 PRO PRO N Y 
PRD_000787 1 3 NNU ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000787 2012-09-13 RCSB "Create molecule" 
PRD_000787 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000788
# 
_pdbx_reference_molecule.prd_id                       PRD_000788 
_pdbx_reference_molecule.name                         "D-PHENYLALANYL-N-[(4-CHLOROPYRIDIN-2-YL)METHYL]-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H23 Cl N4 O2" 
_pdbx_reference_molecule.formula_weight               386.875 
_pdbx_reference_molecule.chem_comp_id                 B01 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3SHC 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000788 
_pdbx_reference_entity_subcomponents.seq            "DPN PRO NNY" 
_pdbx_reference_entity_subcomponents.chem_comp_id   B01 
# 
_pdbx_reference_entity_list.prd_id          PRD_000788 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000788 1 1 C DPN 1 N   PRO 2 sing 1 ? ? ? 
PRD_000788 1 2 C PRO 2 N23 NNY 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000788 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000788 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000788 1 1 DPN ?   N Y 
PRD_000788 1 2 PRO PRO N Y 
PRD_000788 1 3 NNY ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000788 2012-09-13 RCSB "Create molecule" 
PRD_000788 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000790
# 
_pdbx_reference_molecule.prd_id                       PRD_000790 
_pdbx_reference_molecule.name                         "D-PHENYLALANYL-N-(PYRIDIN-2-YLMETHYL)-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H24 N4 O2" 
_pdbx_reference_molecule.formula_weight               352.430 
_pdbx_reference_molecule.chem_comp_id                 B03 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3SI3 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000790 
_pdbx_reference_entity_subcomponents.seq            "DPN PRO APY" 
_pdbx_reference_entity_subcomponents.chem_comp_id   B03 
# 
_pdbx_reference_entity_list.prd_id          PRD_000790 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000790 1 1 C DPN 1 N PRO 2 sing 1 ? ? ? 
PRD_000790 1 2 C PRO 2 N APY 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000790 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000790 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000790 1 1 DPN ?   N Y 
PRD_000790 1 2 PRO PRO N Y 
PRD_000790 1 3 APY ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000790 2012-09-13 RCSB "Create molecule" 
PRD_000790 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000793
# 
_pdbx_reference_molecule.prd_id                       PRD_000793 
_pdbx_reference_molecule.name                         "ACE-AEIK-CHO ALDEHYDE (BOUND FORM)" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H41 N5 O7" 
_pdbx_reference_molecule.formula_weight               487.590 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "THE STARTING MOLECULE OF THIS INHIBITOR IS ALDEHYDE ACE-AEIK-CHO" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4D8I 
# 
_pdbx_reference_entity_list.prd_id          PRD_000793 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000793 1 1 C ACE 1 N ALA 2 sing 1 ? ? ? 
PRD_000793 1 2 C ALA 2 N GLU 3 sing 1 ? ? ? 
PRD_000793 1 3 C GLU 3 N ILE 4 sing 1 ? ? ? 
PRD_000793 1 4 C ILE 4 N LYJ 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000793 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000793 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000793 1 1 ACE ?   N Y 
PRD_000793 1 2 ALA ALA N Y 
PRD_000793 1 3 GLU GLU N Y 
PRD_000793 1 4 ILE ILE N Y 
PRD_000793 1 5 LYJ LYS N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000793 2012-09-13 RCSB "Create molecule"      
PRD_000793 2013-02-19 RCSB "Other modification"   
PRD_000793 2013-02-20 RCSB "Modify molecule name" 
PRD_000793 2013-02-20 RCSB "Modify sequence"      
PRD_000793 2013-02-21 RCSB "Modify type"          
PRD_000793 2012-12-12 RCSB "Initial release"      
PRD_000793 2013-06-03 RCSB "Other modification"   
# 
data_PRD_000794
# 
_pdbx_reference_molecule.prd_id                       PRD_000794 
_pdbx_reference_molecule.name                         "C6H5(CH2)8-derivatized peptide inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C40 H63 N8 O11 P" 
_pdbx_reference_molecule.formula_weight               862.949 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3RQ7 
# 
_pdbx_reference_entity_list.prd_id          PRD_000794 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000794 1 1 C ACE 1 N PRO 2 sing 1 ? ? ? 
PRD_000794 1 2 C PRO 2 N LEU 3 sing 1 ? ? ? 
PRD_000794 1 3 C LEU 3 N 56A 4 sing 1 ? ? ? 
PRD_000794 1 4 C 56A 4 N SER 5 sing 1 ? ? ? 
PRD_000794 1 5 C SER 5 N TPO 6 sing 1 ? ? ? 
PRD_000794 1 6 C TPO 6 N NH2 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000794 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000794 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000794 1 1 ACE ?   N Y 
PRD_000794 1 2 PRO PRO N Y 
PRD_000794 1 3 LEU LEU N Y 
PRD_000794 1 4 56A HIS N Y 
PRD_000794 1 5 SER SER N Y 
PRD_000794 1 6 TPO THR N Y 
PRD_000794 1 7 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000794 2012-09-13 RCSB "Create molecule"    
PRD_000794 2012-10-01 RCSB "Other modification" 
PRD_000794 2012-12-12 RCSB "Initial release"    
PRD_000794 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000795
# 
_pdbx_reference_molecule.prd_id                       PRD_000795 
_pdbx_reference_molecule.name                         "D-PHENYLALANYL-N-(PYRIDIN-4-YLMETHYL)-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H24 N4 O2" 
_pdbx_reference_molecule.formula_weight               352.430 
_pdbx_reference_molecule.chem_comp_id                 P05 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3SV2 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000795 
_pdbx_reference_entity_subcomponents.seq            "DPN PRO NNW" 
_pdbx_reference_entity_subcomponents.chem_comp_id   P05 
# 
_pdbx_reference_entity_list.prd_id          PRD_000795 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000795 1 1 C DPN 1 N   PRO 2 sing 1 ? ? ? 
PRD_000795 1 2 C PRO 2 N23 NNW 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000795 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000795 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000795 1 1 DPN ?   N Y 
PRD_000795 1 2 PRO PRO N Y 
PRD_000795 1 3 NNW ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000795 2012-09-13 RCSB "Create molecule" 
PRD_000795 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000796
# 
_pdbx_reference_molecule.prd_id                       PRD_000796 
_pdbx_reference_molecule.name                         "METHYL N-[(2S)-1-[[(2S,3S,5S)-5-[[(2S)-2-(METHOXYCARBONYLAMINO)-3,3-DIMETHYL-BUTANOYL]AMINO]-3-OXIDANYL-6-PHENYL-1-(4-PYRIDIN-3-YLPHENYL)HEXAN-2-YL]AMINO]-3,3-DIMETHYL-1-OXIDANYLIDENE-BUTAN-2-YL]CARBAMATE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C39 H53 N5 O7" 
_pdbx_reference_molecule.formula_weight               703.867 
_pdbx_reference_molecule.chem_comp_id                 LK0 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3S85 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000796 
_pdbx_reference_entity_subcomponents.seq            "000 TBG 02H TBG 000" 
_pdbx_reference_entity_subcomponents.chem_comp_id   LK0 
# 
_pdbx_reference_entity_list.prd_id          PRD_000796 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000796 1 1 C  000 1 N  TBG 2 sing 1 ? ? ? 
PRD_000796 1 2 C  TBG 2 N6 02H 3 sing 1 ? ? ? 
PRD_000796 1 3 N1 02H 3 C  TBG 4 sing 1 ? ? ? 
PRD_000796 1 4 N  TBG 4 C  000 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000796 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000796 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000796 1 1 000 ? N Y 
PRD_000796 1 2 TBG ? N Y 
PRD_000796 1 3 02H ? N Y 
PRD_000796 1 4 TBG ? N Y 
PRD_000796 1 5 000 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000796 2012-09-13 RCSB "Create molecule" 
PRD_000796 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000797
# 
_pdbx_reference_molecule.prd_id                       PRD_000797 
_pdbx_reference_molecule.name                         "(2S)-2-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]NONANOIC ACID" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C15 H26 N2 O6" 
_pdbx_reference_molecule.formula_weight               330.377 
_pdbx_reference_molecule.chem_comp_id                 SDR 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3SJE 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000797 
_pdbx_reference_entity_subcomponents.seq            "ACE ASP AN8" 
_pdbx_reference_entity_subcomponents.chem_comp_id   SDR 
# 
_pdbx_reference_entity_list.prd_id          PRD_000797 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000797 1 1 N AN8 3 C ASP 2 sing 1 ? ? ? 
PRD_000797 1 2 N ASP 2 C ACE 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000797 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000797 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000797 1 1 ACE ?   N Y 
PRD_000797 1 2 ASP ASP N Y 
PRD_000797 1 3 AN8 ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000797 2012-09-13 RCSB "Create molecule" 
PRD_000797 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000798
# 
_pdbx_reference_molecule.prd_id                       PRD_000798 
_pdbx_reference_molecule.name                         "(3R,3AR,5R,6AR)-3-HYDROXYHEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL [(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]CARBAMATE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H40 N2 O8 S" 
_pdbx_reference_molecule.formula_weight               576.701 
_pdbx_reference_molecule.chem_comp_id                 G89 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3ST5 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000798 
_pdbx_reference_entity_subcomponents.seq            "030 FV0 4OS" 
_pdbx_reference_entity_subcomponents.chem_comp_id   G89 
# 
_pdbx_reference_entity_list.prd_id          PRD_000798 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000798 1 1 S   4OS 3 N11 FV0 2 sing 1 ? ? ? 
PRD_000798 1 2 N20 FV0 2 C21 030 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000798 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000798 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000798 1 1 030 ? N Y 
PRD_000798 1 2 FV0 ? N Y 
PRD_000798 1 3 4OS ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000798 2012-09-13 RCSB "Create molecule" 
PRD_000798 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000799
# 
_pdbx_reference_molecule.prd_id                       PRD_000799 
_pdbx_reference_molecule.name                         N-ACETYL-L-ALPHA-ASPARTYL-L-METHIONINE 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C11 H18 N2 O6 S" 
_pdbx_reference_molecule.formula_weight               306.335 
_pdbx_reference_molecule.chem_comp_id                 QRG 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3SJX 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000799 
_pdbx_reference_entity_subcomponents.seq            "ACE ASP MET" 
_pdbx_reference_entity_subcomponents.chem_comp_id   QRG 
# 
_pdbx_reference_entity_list.prd_id          PRD_000799 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000799 1 1 N MET 3 C ASP 2 sing 1 ? ? ? 
PRD_000799 1 2 N ASP 2 C ACE 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000799 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000799 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000799 1 1 ACE ?   N Y 
PRD_000799 1 2 ASP ASP N Y 
PRD_000799 1 3 MET MET N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000799 2012-09-13 RCSB "Create molecule" 
PRD_000799 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000800
# 
_pdbx_reference_molecule.prd_id                       PRD_000800 
_pdbx_reference_molecule.name                         "N-[3-(3-PHENYLISOXAZOL-5-YL)PROPANOYL]-L-ALPHA-GLUTAMYL-L-ALPHA-GLUTAMYL-AMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H26 N4 O8" 
_pdbx_reference_molecule.formula_weight               474.464 
_pdbx_reference_molecule.chem_comp_id                 EEC 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3LIR 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000800 
_pdbx_reference_entity_subcomponents.seq            "0YE GLU GLU NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   EEC 
# 
_pdbx_reference_entity_list.prd_id          PRD_000800 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000800 1 1 C11 0YE 1 N GLU 2 sing 1 ? ? ? 
PRD_000800 1 2 C   GLU 2 N GLU 3 sing 1 ? ? ? 
PRD_000800 1 3 N   NH2 4 C GLU 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000800 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000800 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000800 1 1 0YE ? N Y 
PRD_000800 1 2 GLU ? N Y 
PRD_000800 1 3 GLU ? N Y 
PRD_000800 1 4 NH2 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000800 2012-09-13 RCSB "Create molecule" 
PRD_000800 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000801
# 
_pdbx_reference_molecule.prd_id                       PRD_000801 
_pdbx_reference_molecule.name                         "N-(BENZYLSULFONYL)-D-LEUCYL-N-[2-(AMINOMETHYL)-5-CHLOROBENZYL]-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H35 Cl N4 O4 S" 
_pdbx_reference_molecule.formula_weight               535.098 
_pdbx_reference_molecule.chem_comp_id                 M34 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3T5F 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000801 
_pdbx_reference_entity_subcomponents.seq            "PMS DLE PRO 00T" 
_pdbx_reference_entity_subcomponents.chem_comp_id   M34 
# 
_pdbx_reference_entity_list.prd_id          PRD_000801 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000801 1 1 S PMS 1 N   DLE 2 sing 1 ? ? ? 
PRD_000801 1 2 C DLE 2 N   PRO 3 sing 1 ? ? ? 
PRD_000801 1 3 C PRO 3 N19 00T 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000801 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000801 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000801 1 1 PMS ?   N Y 
PRD_000801 1 2 DLE ?   N Y 
PRD_000801 1 3 PRO PRO N Y 
PRD_000801 1 4 00T ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000801 2012-09-13 RCSB "Create molecule" 
PRD_000801 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000802
# 
_pdbx_reference_molecule.prd_id                       PRD_000802 
_pdbx_reference_molecule.name                         "D-PHENYLALANYL-N-[(1-METHYLPYRIDINIUM-2-YL)METHYL]-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H27 N4 O2" 
_pdbx_reference_molecule.formula_weight               367.465 
_pdbx_reference_molecule.chem_comp_id                 B04 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3SI4 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000802 
_pdbx_reference_entity_subcomponents.seq            "DPN PRO NNZ" 
_pdbx_reference_entity_subcomponents.chem_comp_id   B04 
# 
_pdbx_reference_entity_list.prd_id          PRD_000802 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000802 1 1 C DPN 1 N   PRO 2 sing 1 ? ? ? 
PRD_000802 1 2 C PRO 2 N16 NNZ 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000802 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000802 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000802 1 1 DPN ?   N Y 
PRD_000802 1 2 PRO PRO N Y 
PRD_000802 1 3 NNZ ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000802 2012-09-13 RCSB "Create molecule" 
PRD_000802 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000803
# 
_pdbx_reference_molecule.prd_id                       PRD_000803 
_pdbx_reference_molecule.name                         "N-{3-[3-(3'-CHLOROBIPHENYL-4-YL)ISOXAZOL-5-YL]PROPANOYL}-L-ALPHA-GLUTAMYL-L-ALPHA-GLUTAMYL-AMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H29 Cl N4 O8" 
_pdbx_reference_molecule.formula_weight               585.005 
_pdbx_reference_molecule.chem_comp_id                 EEA 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3LIL 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000803 
_pdbx_reference_entity_subcomponents.seq            "0YD GLU GLU NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   EEA 
# 
_pdbx_reference_entity_list.prd_id          PRD_000803 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000803 1 1 C12 0YD 1 N GLU 2 sing 1 ? ? ? 
PRD_000803 1 2 C   GLU 2 N GLU 3 sing 1 ? ? ? 
PRD_000803 1 3 C   GLU 3 N NH2 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000803 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000803 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000803 1 1 0YD ? N Y 
PRD_000803 1 2 GLU ? N Y 
PRD_000803 1 3 GLU ? N Y 
PRD_000803 1 4 NH2 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000803 2012-09-13 RCSB "Create molecule" 
PRD_000803 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000805
# 
_pdbx_reference_molecule.prd_id                       PRD_000805 
_pdbx_reference_molecule.name                         "N-(3-BIPHENYL-4-YLPROPANOYL)-L-ALPHA-GLUTAMYL-L-ALPHA-GLUTAMYL-AMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H29 N3 O7" 
_pdbx_reference_molecule.formula_weight               483.514 
_pdbx_reference_molecule.chem_comp_id                 EEF 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3LJG 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000805 
_pdbx_reference_entity_subcomponents.seq            "0YF GLU GLU NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   EEF 
# 
_pdbx_reference_entity_list.prd_id          PRD_000805 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000805 1 1 C2 0YF 1 N GLU 2 sing 1 ? ? ? 
PRD_000805 1 2 C  GLU 2 N GLU 3 sing 1 ? ? ? 
PRD_000805 1 3 C  GLU 3 N NH2 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000805 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000805 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000805 1 1 0YF ? N Y 
PRD_000805 1 2 GLU ? N Y 
PRD_000805 1 3 GLU ? N Y 
PRD_000805 1 4 NH2 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000805 2012-09-13 RCSB "Create molecule" 
PRD_000805 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000806
# 
_pdbx_reference_molecule.prd_id                       PRD_000806 
_pdbx_reference_molecule.name                         "N-(BENZYLSULFONYL)-3-CYCLOHEXYL-D-ALANYL-N-(4-CARBAMIMIDOYLBENZYL)-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H39 N5 O4 S" 
_pdbx_reference_molecule.formula_weight               553.716 
_pdbx_reference_molecule.chem_comp_id                 S00 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3RM2 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000806 
_pdbx_reference_entity_subcomponents.seq            "PMS ZAL PRO 00S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   S00 
# 
_pdbx_reference_entity_list.prd_id          PRD_000806 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000806 1 1 S PMS 1 N   ZAL 2 sing 1 ? ? ? 
PRD_000806 1 2 C ZAL 2 N   PRO 3 sing 1 ? ? ? 
PRD_000806 1 3 C PRO 3 N23 00S 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000806 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000806 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000806 1 1 PMS ? N Y 
PRD_000806 1 2 ZAL ? N Y 
PRD_000806 1 3 PRO ? N Y 
PRD_000806 1 4 00S ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000806 2012-09-13 RCSB "Create molecule" 
PRD_000806 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000807
# 
_pdbx_reference_molecule.prd_id                       PRD_000807 
_pdbx_reference_molecule.name                         "hydrocinnamoyl-derivatized PLHSpTA peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H55 N9 O12 P" 
_pdbx_reference_molecule.formula_weight               836.849 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4E67 
# 
_pdbx_reference_entity_list.prd_id          PRD_000807 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000807 1 1 C1 HCI 1 N PRO 2 sing 1 ? ? ? 
PRD_000807 1 2 C  PRO 2 N LEU 3 sing 1 ? ? ? 
PRD_000807 1 3 C  LEU 3 N HIS 4 sing 1 ? ? ? 
PRD_000807 1 4 C  HIS 4 N SER 5 sing 1 ? ? ? 
PRD_000807 1 5 C  SER 5 N TPO 6 sing 1 ? ? ? 
PRD_000807 1 6 C  TPO 6 N ALA 7 sing 1 ? ? ? 
PRD_000807 1 7 C  ALA 7 N NH2 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000807 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000807 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000807 1 1 HCI ? N Y 
PRD_000807 1 2 PRO ? N Y 
PRD_000807 1 3 LEU ? N Y 
PRD_000807 1 4 HIS ? N Y 
PRD_000807 1 5 SER ? N Y 
PRD_000807 1 6 TPO ? N Y 
PRD_000807 1 7 ALA ? N Y 
PRD_000807 1 8 NH2 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000807 2012-10-01 RCSB "Create molecule"    
PRD_000807 2012-12-12 RCSB "Initial release"    
PRD_000807 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000808
# 
_pdbx_reference_molecule.prd_id                       PRD_000808 
_pdbx_reference_molecule.name                         "D-peptide inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C70 H110 N19 O19" 
_pdbx_reference_molecule.formula_weight               1521.738 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3LNJ 
# 
_pdbx_reference_entity_list.prd_id          PRD_000808 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000808 1 1  C DTH 1  N DSG 2  sing 1 ? ? ? 
PRD_000808 1 2  C DSG 2  N DTR 3  sing 1 ? ? ? 
PRD_000808 1 3  C DTR 3  N DTY 4  sing 1 ? ? ? 
PRD_000808 1 4  C DTY 4  N DAL 5  sing 1 ? ? ? 
PRD_000808 1 5  C DAL 5  N DSG 6  sing 1 ? ? ? 
PRD_000808 1 6  C DSG 6  N DLE 7  sing 1 ? ? ? 
PRD_000808 1 7  C DLE 7  N DGL 8  sing 1 ? ? ? 
PRD_000808 1 8  C DGL 8  N DLY 9  sing 1 ? ? ? 
PRD_000808 1 9  C DLY 9  N DLE 10 sing 1 ? ? ? 
PRD_000808 1 10 C DLE 10 N DLE 11 sing 1 ? ? ? 
PRD_000808 1 11 C DLE 11 N DAR 12 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000808 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000808 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000808 1 1  DTH ? N N 
PRD_000808 1 2  DSG ? N Y 
PRD_000808 1 3  DTR ? N Y 
PRD_000808 1 4  DTY ? N Y 
PRD_000808 1 5  DAL ? N Y 
PRD_000808 1 6  DSG ? N Y 
PRD_000808 1 7  DLE ? N Y 
PRD_000808 1 8  DGL ? N Y 
PRD_000808 1 9  DLY ? N Y 
PRD_000808 1 10 DLE ? N Y 
PRD_000808 1 11 DLE ? N Y 
PRD_000808 1 12 DAR ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000808 2012-10-01 RCSB "Create molecule"    
PRD_000808 2012-12-12 RCSB "Initial release"    
PRD_000808 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000809
# 
_pdbx_reference_molecule.prd_id                       PRD_000809 
_pdbx_reference_molecule.name                         "LDPPLHSpTA phosphopeptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C44 H72 N12 O17 P" 
_pdbx_reference_molecule.formula_weight               1072.086 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4E9C 
# 
_pdbx_reference_entity_list.prd_id          PRD_000809 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000809 1 1  C ACE 1  N LEU 2  sing 1 ? ? ? 
PRD_000809 1 2  C LEU 2  N ASP 3  sing 1 ? ? ? 
PRD_000809 1 3  C ASP 3  N PRO 4  sing 1 ? ? ? 
PRD_000809 1 4  C PRO 4  N PRO 5  sing 1 ? ? ? 
PRD_000809 1 5  C PRO 5  N LEU 6  sing 1 ? ? ? 
PRD_000809 1 6  C LEU 6  N HIS 7  sing 1 ? ? ? 
PRD_000809 1 7  C HIS 7  N SER 8  sing 1 ? ? ? 
PRD_000809 1 8  C SER 8  N TPO 9  sing 1 ? ? ? 
PRD_000809 1 9  C TPO 9  N ALA 10 sing 1 ? ? ? 
PRD_000809 1 10 C ALA 10 N NH2 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000809 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000809 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000809 1 1  ACE ? N N 
PRD_000809 1 2  LEU ? N N 
PRD_000809 1 3  ASP ? N N 
PRD_000809 1 4  PRO ? N Y 
PRD_000809 1 5  PRO ? N Y 
PRD_000809 1 6  LEU ? N Y 
PRD_000809 1 7  HIS ? N Y 
PRD_000809 1 8  SER ? N Y 
PRD_000809 1 9  TPO ? N Y 
PRD_000809 1 10 ALA ? N Y 
PRD_000809 1 11 NH2 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000809 2012-10-01 RCSB "Create molecule"    
PRD_000809 2012-12-12 RCSB "Initial release"    
PRD_000809 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000810
# 
_pdbx_reference_molecule.prd_id                       PRD_000810 
_pdbx_reference_molecule.name                         "3-(1-benzothiophen-2-yl)propanoyl-derivatized DPPLHSpTA peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C47 H67 N11 O16 P S" 
_pdbx_reference_molecule.formula_weight               1105.138 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4E9D 
# 
_pdbx_reference_entity_list.prd_id          PRD_000810 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000810 1 1 CAU 0OB 1 N ASP 2  sing 1 ? ? ? 
PRD_000810 1 2 C   ASP 2 N PRO 3  sing 1 ? ? ? 
PRD_000810 1 3 C   PRO 3 N PRO 4  sing 1 ? ? ? 
PRD_000810 1 4 C   PRO 4 N LEU 5  sing 1 ? ? ? 
PRD_000810 1 5 C   LEU 5 N HIS 6  sing 1 ? ? ? 
PRD_000810 1 6 C   HIS 6 N SER 7  sing 1 ? ? ? 
PRD_000810 1 7 C   SER 7 N TPO 8  sing 1 ? ? ? 
PRD_000810 1 8 C   TPO 8 N ALA 9  sing 1 ? ? ? 
PRD_000810 1 9 C   ALA 9 N NH2 10 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000810 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000810 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000810 1 1  0OB ?   N Y 
PRD_000810 1 2  ASP ASP N Y 
PRD_000810 1 3  PRO PRO N Y 
PRD_000810 1 4  PRO PRO N Y 
PRD_000810 1 5  LEU LEU N Y 
PRD_000810 1 6  HIS HIS N Y 
PRD_000810 1 7  SER SER N Y 
PRD_000810 1 8  TPO THR N Y 
PRD_000810 1 9  ALA ALA N Y 
PRD_000810 1 10 NH2 ?   N N 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000810 2012-10-01 RCSB "Create molecule"    
PRD_000810 2012-12-12 RCSB "Initial release"    
PRD_000810 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000811
# 
_pdbx_reference_molecule.prd_id                       PRD_000811 
_pdbx_reference_molecule.name                         "N-(METHYLSULFONYL)-D-PHENYLALANYL-N-[(1-CARBAMIMIDOYLPIPERIDIN-4-YL)METHYL]-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H34 N6 O4 S" 
_pdbx_reference_molecule.formula_weight               478.608 
_pdbx_reference_molecule.chem_comp_id                 0BM 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3TU7 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000811 
_pdbx_reference_entity_subcomponents.seq            "03S DPN PRO 03N" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0BM 
# 
_pdbx_reference_entity_list.prd_id          PRD_000811 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000811 1 1 N   DPN 2 S10 03S 1 sing 1 ? ? ? 
PRD_000811 1 2 C   DPN 2 N   PRO 3 sing 1 ? ? ? 
PRD_000811 1 3 N24 03N 4 C   PRO 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000811 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000811 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000811 1 1 03S ?   N Y 
PRD_000811 1 2 DPN ?   N Y 
PRD_000811 1 3 PRO PRO N Y 
PRD_000811 1 4 03N ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000811 2012-09-13 RCSB "Create molecule" 
PRD_000811 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000812
# 
_pdbx_reference_molecule.prd_id                       PRD_000812 
_pdbx_reference_molecule.name                         desulfo-A47934 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Glycopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C58 H44 Cl3 N7 O18" 
_pdbx_reference_molecule.formula_weight               1233.365 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4EEC 
# 
_pdbx_reference_entity_list.prd_id          PRD_000812 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000812 1 1  C   GHP 1 N   3MY 2 sing 1 ? ? ? 
PRD_000812 1 2  C3  GHP 1 OD1 3FG 3 sing 1 ? ? ? 
PRD_000812 1 3  OBD 3MY 2 C3  GHP 4 sing 1 ? ? ? 
PRD_000812 1 4  C   3MY 2 N   3FG 3 sing 1 ? ? ? 
PRD_000812 1 5  C   3FG 3 N   GHP 4 sing 1 ? ? ? 
PRD_000812 1 6  C   GHP 4 N   0UZ 5 sing 1 ? ? ? 
PRD_000812 1 7  C5  GHP 4 OCZ OMY 6 sing 1 ? ? ? 
PRD_000812 1 8  C   0UZ 5 N   OMY 6 sing 1 ? ? ? 
PRD_000812 1 9  C5  0UZ 5 CG1 3FG 7 sing 1 ? ? ? 
PRD_000812 1 10 C   OMY 6 N   3FG 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000812 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000812 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000812 1 1 GHP ? N Y 
PRD_000812 1 2 3MY ? N Y 
PRD_000812 1 3 3FG ? N Y 
PRD_000812 1 4 GHP ? N Y 
PRD_000812 1 5 0UZ ? N Y 
PRD_000812 1 6 OMY ? N Y 
PRD_000812 1 7 3FG ? N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000812 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 55952 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces toyocaensis" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000812 2012-09-13 RCSB "Create molecule"    
PRD_000812 2012-12-12 RCSB "Initial release"    
PRD_000812 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000813
# 
_pdbx_reference_molecule.prd_id                       PRD_000813 
_pdbx_reference_molecule.name                         Arylomycin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Lipoglycopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C53 H78 N6 O16" 
_pdbx_reference_molecule.formula_weight               1055.217 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "BAL4850C IS A VARIANT OF THE LIPOGLYCO ARYLOMYCIN HERE BAL4850C IS REPRESENTED BY GROUPING TOGETHER THE SEQUENCE, THE LIPID (O2U) AND RHAMNOSE." 
_pdbx_reference_molecule.representative_PDB_id_code   3S04 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000813 1 1 polymer     "Peptide like polymer residues 1 to 6" 
PRD_000813 2 2 non-polymer 02U                                    
PRD_000813 3 3 non-polymer RAM                                    
# 
loop_
_pdbx_reference_entity_nonpoly.prd_id 
_pdbx_reference_entity_nonpoly.ref_entity_id 
_pdbx_reference_entity_nonpoly.name 
_pdbx_reference_entity_nonpoly.chem_comp_id 
_pdbx_reference_entity_nonpoly.details 
PRD_000813 2 "14-methylhexadec-9-enoic acid" 02U ? 
PRD_000813 3 ALPHA-L-RHAMNOSE                RAM ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000813 1 PN 1 1 DSE N   2 ? 02U C  sing 1 2 ? ? ? 
PRD_000813 2 PN 1 4 02V C24 3 ? RAM O1 sing 1 3 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000813 1 1 C   DSE 1 N   DAL 2 sing 1 ? ? ? 
PRD_000813 1 2 C   DAL 2 N   GLY 3 sing 1 ? ? ? 
PRD_000813 1 3 C   GLY 3 N   02V 4 sing 1 ? ? ? 
PRD_000813 1 4 C22 02V 4 CE1 TYR 6 sing 1 ? ? ? 
PRD_000813 1 5 C   02V 4 N   ALA 5 sing 1 ? ? ? 
PRD_000813 1 6 C   ALA 5 N   TYR 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000813 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000813 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000813 1 1 DSE ?   N Y 
PRD_000813 1 2 DAL ?   N Y 
PRD_000813 1 3 GLY GLY N Y 
PRD_000813 1 4 02V ?   N Y 
PRD_000813 1 5 ALA ALA N Y 
PRD_000813 1 6 TYR TYR N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000813 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1931 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces sp." 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000813 2012-09-13 RCSB "Create molecule"    
PRD_000813 2012-12-12 RCSB "Initial release"    
PRD_000813 2013-03-13 RCSB "Other modification" 
PRD_000813 2013-06-03 RCSB "Other modification" 
PRD_000813 2013-07-02 RCSB "Other modification" 
# 
data_PRD_000814
# 
_pdbx_reference_molecule.prd_id                       PRD_000814 
_pdbx_reference_molecule.name                         "N-{[(3R,4R,7S,10R,11R)-3-ethyl-11,15-dihydroxy-3-methyl-10-(methylamino)-6,9-dioxo-7-(propan-2-yl)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-4-yl]carbonyl}glycine" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H34 N4 O8" 
_pdbx_reference_molecule.formula_weight               494.538 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Inhibitor of microtubule assembly" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3UT5 
# 
_pdbx_reference_entity_list.prd_id          PRD_000814 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "Vinca tetrapeptide " 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000814 1 1 O1 0EA 1 C3 0E5 3 sing 1 ? ? ? 
PRD_000814 1 2 C  0EA 1 N  VAL 2 sing 1 ? ? ? 
PRD_000814 1 3 C  VAL 2 N  0E5 3 sing 1 ? ? ? 
PRD_000814 1 4 C  0E5 3 N  GLY 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000814 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000814 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000814 1 1 0EA ? N Y 
PRD_000814 1 2 VAL ? N Y 
PRD_000814 1 3 0E5 ? N Y 
PRD_000814 1 4 GLY ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000814 2012-09-13 RCSB "Create molecule"    
PRD_000814 2012-12-12 RCSB "Initial release"    
PRD_000814 2013-06-03 RCSB "Other modification" 
PRD_000814 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000815
# 
_pdbx_reference_molecule.prd_id                       PRD_000815 
_pdbx_reference_molecule.name                         "peptide ACE-THR-VAL-ALC-HIS-H" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H43 N6 O6" 
_pdbx_reference_molecule.formula_weight               535.656 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3ATW 
# 
_pdbx_reference_entity_list.prd_id          PRD_000815 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000815 1 1 C ACE 1 N THR 2 sing 1 ? ? ? 
PRD_000815 1 2 C THR 2 N VAL 3 sing 1 ? ? ? 
PRD_000815 1 3 C VAL 3 N ALC 4 sing 1 ? ? ? 
PRD_000815 1 4 C ALC 4 N HSV 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000815 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000815 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000815 1 1 ACE ? N Y 
PRD_000815 1 2 THR ? N Y 
PRD_000815 1 3 VAL ? N Y 
PRD_000815 1 4 ALC ? N Y 
PRD_000815 1 5 HSV ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000815 2012-09-14 RCSB "Create molecule"    
PRD_000815 2012-12-12 RCSB "Initial release"    
PRD_000815 2013-06-03 RCSB "Other modification" 
PRD_000815 2015-07-27 PDBJ "Other modification" 
# 
data_PRD_000816
# 
_pdbx_reference_molecule.prd_id                       PRD_000816 
_pdbx_reference_molecule.name                         "DIMERIC PEPTIDE INHIBITOR" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C78 H116 N21 O17 S2" 
_pdbx_reference_molecule.formula_weight               1684.016 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3M1B 
# 
_pdbx_reference_entity_list.prd_id          PRD_000816 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000816 1 1  C  ACE 1  N  ARG 2  sing 1 ? ? ? 
PRD_000816 1 2  C  ARG 2  N  PHE 3  sing 1 ? ? ? 
PRD_000816 1 3  C  PHE 3  N  LE1 4  sing 1 ? ? ? 
PRD_000816 1 4  C  LE1 4  N  THR 5  sing 1 ? ? ? 
PRD_000816 1 5  SG LE1 4  SG CYS 14 sing 1 ? ? ? 
PRD_000816 1 6  C  THR 5  N  GLY 6  sing 1 ? ? ? 
PRD_000816 1 7  C  GLY 6  N  HIS 7  sing 1 ? ? ? 
PRD_000816 1 8  C  HIS 7  N  PHE 8  sing 1 ? ? ? 
PRD_000816 1 9  C  PHE 8  N  GLY 9  sing 1 ? ? ? 
PRD_000816 1 10 C  GLY 9  N  SAR 10 sing 1 ? ? ? 
PRD_000816 1 11 C  SAR 10 N  MLE 11 sing 1 ? ? ? 
PRD_000816 1 12 C  MLE 11 N  TYR 12 sing 1 ? ? ? 
PRD_000816 1 13 C  TYR 12 N  PRO 13 sing 1 ? ? ? 
PRD_000816 1 14 C  PRO 13 N  CYS 14 sing 1 ? ? ? 
PRD_000816 1 15 C  CYS 14 N  LYS 15 sing 1 ? ? ? 
PRD_000816 1 16 C  LYS 15 N  NH2 16 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000816 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000816 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000816 1 1  ACE ?   N N 
PRD_000816 1 2  ARG ARG N N 
PRD_000816 1 3  PHE PHE N N 
PRD_000816 1 4  LE1 VAL N Y 
PRD_000816 1 5  THR THR N Y 
PRD_000816 1 6  GLY GLY N Y 
PRD_000816 1 7  HIS HIS N Y 
PRD_000816 1 8  PHE PHE N Y 
PRD_000816 1 9  GLY GLY N Y 
PRD_000816 1 10 SAR GLY N Y 
PRD_000816 1 11 MLE LEU N Y 
PRD_000816 1 12 TYR TYR N Y 
PRD_000816 1 13 PRO PRO N Y 
PRD_000816 1 14 CYS CYS N Y 
PRD_000816 1 15 LYS LYS N N 
PRD_000816 1 16 NH2 ?   N N 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000816 2012-10-01 RCSB "Create molecule"    
PRD_000816 2012-12-12 RCSB "Initial release"    
PRD_000816 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000817
# 
_pdbx_reference_molecule.prd_id                       PRD_000817 
_pdbx_reference_molecule.name                         "LEDGF peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H61 N10 O14" 
_pdbx_reference_molecule.formula_weight               857.928 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3AV9 
# 
_pdbx_reference_entity_list.prd_id          PRD_000817 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000817 1 1 N SER 1 C ASP 8 sing 1 ? ? ? 
PRD_000817 1 2 C SER 1 N ALA 2 sing 1 ? ? ? 
PRD_000817 1 3 C ALA 2 N LYS 3 sing 1 ? ? ? 
PRD_000817 1 4 C LYS 3 N ILE 4 sing 1 ? ? ? 
PRD_000817 1 5 C ILE 4 N ASP 5 sing 1 ? ? ? 
PRD_000817 1 6 C ASP 5 N ASN 6 sing 1 ? ? ? 
PRD_000817 1 7 C ASN 6 N LEU 7 sing 1 ? ? ? 
PRD_000817 1 8 C LEU 7 N ASP 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000817 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000817 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000817 1 1 SER ? N Y 
PRD_000817 1 2 ALA ? N Y 
PRD_000817 1 3 LYS ? N Y 
PRD_000817 1 4 ILE ? N Y 
PRD_000817 1 5 ASP ? N Y 
PRD_000817 1 6 ASN ? N Y 
PRD_000817 1 7 LEU ? N Y 
PRD_000817 1 8 ASP ? N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000817 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 9606 
_pdbx_reference_entity_src_nat.organism_scientific   "Homo sapiens" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000817 2012-09-14 RCSB "Create molecule"    
PRD_000817 2012-12-12 RCSB "Initial release"    
PRD_000817 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000818
# 
_pdbx_reference_molecule.prd_id                       PRD_000818 
_pdbx_reference_molecule.name                         "ALKIDNLD peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C39 H67 N10 O13" 
_pdbx_reference_molecule.formula_weight               884.008 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3AVA 
# 
_pdbx_reference_entity_list.prd_id          PRD_000818 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000818 1 1 N ALA 1 C ASP 8 sing 1 ? ? ? 
PRD_000818 1 2 C ALA 1 N LEU 2 sing 1 ? ? ? 
PRD_000818 1 3 C LEU 2 N LYS 3 sing 1 ? ? ? 
PRD_000818 1 4 C LYS 3 N ILE 4 sing 1 ? ? ? 
PRD_000818 1 5 C ILE 4 N ASP 5 sing 1 ? ? ? 
PRD_000818 1 6 C ASP 5 N ASN 6 sing 1 ? ? ? 
PRD_000818 1 7 C ASN 6 N LEU 7 sing 1 ? ? ? 
PRD_000818 1 8 C LEU 7 N ASP 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000818 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000818 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000818 1 1 ALA ? N Y 
PRD_000818 1 2 LEU ? N Y 
PRD_000818 1 3 LYS ? N Y 
PRD_000818 1 4 ILE ? N Y 
PRD_000818 1 5 ASP ? N Y 
PRD_000818 1 6 ASN ? N Y 
PRD_000818 1 7 LEU ? N Y 
PRD_000818 1 8 ASP ? N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000818 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 9606 
_pdbx_reference_entity_src_nat.organism_scientific   "Homo sapiens" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000818 2012-09-14 RCSB "Create molecule"    
PRD_000818 2012-12-12 RCSB "Initial release"    
PRD_000818 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000819
# 
_pdbx_reference_molecule.prd_id                       PRD_000819 
_pdbx_reference_molecule.name                         "SLKIDNLD peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C39 H67 N10 O14" 
_pdbx_reference_molecule.formula_weight               900.008 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3AVB 
# 
_pdbx_reference_entity_list.prd_id          PRD_000819 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000819 1 1 N SER 1 C ASP 8 sing 1 ? ? ? 
PRD_000819 1 2 C SER 1 N LEU 2 sing 1 ? ? ? 
PRD_000819 1 3 C LEU 2 N LYS 3 sing 1 ? ? ? 
PRD_000819 1 4 C LYS 3 N ILE 4 sing 1 ? ? ? 
PRD_000819 1 5 C ILE 4 N ASP 5 sing 1 ? ? ? 
PRD_000819 1 6 C ASP 5 N ASN 6 sing 1 ? ? ? 
PRD_000819 1 7 C ASN 6 N LEU 7 sing 1 ? ? ? 
PRD_000819 1 8 C LEU 7 N ASP 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000819 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000819 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000819 1 1 SER ? N Y 
PRD_000819 1 2 LEU ? N Y 
PRD_000819 1 3 LYS ? N Y 
PRD_000819 1 4 ILE ? N Y 
PRD_000819 1 5 ASP ? N Y 
PRD_000819 1 6 ASN ? N Y 
PRD_000819 1 7 LEU ? N Y 
PRD_000819 1 8 ASP ? N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000819 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 9606 
_pdbx_reference_entity_src_nat.organism_scientific   "Homo sapiens" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000819 2012-09-14 RCSB "Create molecule"    
PRD_000819 2012-12-12 RCSB "Initial release"    
PRD_000819 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000821
# 
_pdbx_reference_molecule.prd_id                       PRD_000821 
_pdbx_reference_molecule.name                         "SLKIDNMD peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C38 H65 N10 O14 S" 
_pdbx_reference_molecule.formula_weight               918.046 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3AVI 
# 
_pdbx_reference_entity_list.prd_id          PRD_000821 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000821 1 1 N SER 1 C ASP 8 sing 1 ? ? ? 
PRD_000821 1 2 C SER 1 N LEU 2 sing 1 ? ? ? 
PRD_000821 1 3 C LEU 2 N LYS 3 sing 1 ? ? ? 
PRD_000821 1 4 C LYS 3 N ILE 4 sing 1 ? ? ? 
PRD_000821 1 5 C ILE 4 N ASP 5 sing 1 ? ? ? 
PRD_000821 1 6 C ASP 5 N ASN 6 sing 1 ? ? ? 
PRD_000821 1 7 C ASN 6 N MET 7 sing 1 ? ? ? 
PRD_000821 1 8 C MET 7 N ASP 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000821 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000821 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000821 1 1 SER ? N Y 
PRD_000821 1 2 LEU ? N Y 
PRD_000821 1 3 LYS ? N Y 
PRD_000821 1 4 ILE ? N Y 
PRD_000821 1 5 ASP ? N Y 
PRD_000821 1 6 ASN ? N Y 
PRD_000821 1 7 MET ? N Y 
PRD_000821 1 8 ASP ? N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000821 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 9606 
_pdbx_reference_entity_src_nat.organism_scientific   "Homo sapiens" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000821 2012-09-14 RCSB "Create molecule"    
PRD_000821 2012-12-12 RCSB "Initial release"    
PRD_000821 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000822
# 
_pdbx_reference_molecule.prd_id                       PRD_000822 
_pdbx_reference_molecule.name                         "ALKIDNMD peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C38 H65 N10 O13 S" 
_pdbx_reference_molecule.formula_weight               902.047 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3AVJ 
# 
_pdbx_reference_entity_list.prd_id          PRD_000822 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000822 1 1 N ALA 1 C ASP 8 sing 1 ? ? ? 
PRD_000822 1 2 C ALA 1 N LEU 2 sing 1 ? ? ? 
PRD_000822 1 3 C LEU 2 N LYS 3 sing 1 ? ? ? 
PRD_000822 1 4 C LYS 3 N ILE 4 sing 1 ? ? ? 
PRD_000822 1 5 C ILE 4 N ASP 5 sing 1 ? ? ? 
PRD_000822 1 6 C ASP 5 N ASN 6 sing 1 ? ? ? 
PRD_000822 1 7 C ASN 6 N MET 7 sing 1 ? ? ? 
PRD_000822 1 8 C MET 7 N ASP 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000822 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000822 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000822 1 1 ALA ? N Y 
PRD_000822 1 2 LEU ? N Y 
PRD_000822 1 3 LYS ? N Y 
PRD_000822 1 4 ILE ? N Y 
PRD_000822 1 5 ASP ? N Y 
PRD_000822 1 6 ASN ? N Y 
PRD_000822 1 7 MET ? N Y 
PRD_000822 1 8 ASP ? N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000822 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 9606 
_pdbx_reference_entity_src_nat.organism_scientific   "Homo sapiens" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000822 2012-09-14 RCSB "Create molecule"    
PRD_000822 2012-12-12 RCSB "Initial release"    
PRD_000822 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000823
# 
_pdbx_reference_molecule.prd_id                       PRD_000823 
_pdbx_reference_molecule.name                         "N-propanoyl-D-alanyl-(4R)-4-[(7-bromoisoquinolin-1-yl)oxy]-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antiviral 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H34 Br N5 O7 S" 
_pdbx_reference_molecule.formula_weight               676.579 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3OYP 
# 
_pdbx_reference_entity_list.prd_id          PRD_000823 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "Peptidomimetic inhibitor" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000823 1 1 C1 PPI 1 N   DAL 2 sing 1 ? ? ? 
PRD_000823 1 2 C  DAL 2 N   0Y8 3 sing 1 ? ? ? 
PRD_000823 1 3 C  0Y8 3 N   0Y9 4 sing 1 ? ? ? 
PRD_000823 1 4 C  0Y9 4 N28 0YA 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000823 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000823 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000823 1 1 PPI ? N Y 
PRD_000823 1 2 DAL ? N Y 
PRD_000823 1 3 0Y8 ? N Y 
PRD_000823 1 4 0Y9 ? N Y 
PRD_000823 1 5 0YA ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000823 2012-09-14 RCSB "Create molecule"    
PRD_000823 2012-12-12 RCSB "Initial release"    
PRD_000823 2013-06-03 RCSB "Other modification" 
PRD_000823 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000824
# 
_pdbx_reference_molecule.prd_id                       PRD_000824 
_pdbx_reference_molecule.name                         "SLKIDNED peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C38 H63 N10 O16" 
_pdbx_reference_molecule.formula_weight               915.964 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3AVK 
# 
_pdbx_reference_entity_list.prd_id          PRD_000824 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000824 1 1 N SER 1 C ASP 8 sing 1 ? ? ? 
PRD_000824 1 2 C SER 1 N LEU 2 sing 1 ? ? ? 
PRD_000824 1 3 C LEU 2 N LYS 3 sing 1 ? ? ? 
PRD_000824 1 4 C LYS 3 N ILE 4 sing 1 ? ? ? 
PRD_000824 1 5 C ILE 4 N ASP 5 sing 1 ? ? ? 
PRD_000824 1 6 C ASP 5 N ASN 6 sing 1 ? ? ? 
PRD_000824 1 7 C ASN 6 N GLU 7 sing 1 ? ? ? 
PRD_000824 1 8 C GLU 7 N ASP 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000824 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000824 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000824 1 1 SER ? N Y 
PRD_000824 1 2 LEU ? N Y 
PRD_000824 1 3 LYS ? N Y 
PRD_000824 1 4 ILE ? N Y 
PRD_000824 1 5 ASP ? N Y 
PRD_000824 1 6 ASN ? N Y 
PRD_000824 1 7 GLU ? N Y 
PRD_000824 1 8 ASP ? N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000824 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 9606 
_pdbx_reference_entity_src_nat.organism_scientific   "Homo sapiens" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000824 2012-09-14 RCSB "Create molecule"    
PRD_000824 2012-12-12 RCSB "Initial release"    
PRD_000824 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000825
# 
_pdbx_reference_molecule.prd_id                       PRD_000825 
_pdbx_reference_molecule.name                         "ATKIDNLD peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C37 H63 N10 O14" 
_pdbx_reference_molecule.formula_weight               871.955 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3AVL 
# 
_pdbx_reference_entity_list.prd_id          PRD_000825 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000825 1 1 N ALA 1 C ASP 8 sing 1 ? ? ? 
PRD_000825 1 2 C ALA 1 N THR 2 sing 1 ? ? ? 
PRD_000825 1 3 C THR 2 N LYS 3 sing 1 ? ? ? 
PRD_000825 1 4 C LYS 3 N ILE 4 sing 1 ? ? ? 
PRD_000825 1 5 C ILE 4 N ASP 5 sing 1 ? ? ? 
PRD_000825 1 6 C ASP 5 N ASN 6 sing 1 ? ? ? 
PRD_000825 1 7 C ASN 6 N LEU 7 sing 1 ? ? ? 
PRD_000825 1 8 C LEU 7 N ASP 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000825 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000825 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000825 1 1 ALA ? N Y 
PRD_000825 1 2 THR ? N Y 
PRD_000825 1 3 LYS ? N Y 
PRD_000825 1 4 ILE ? N Y 
PRD_000825 1 5 ASP ? N Y 
PRD_000825 1 6 ASN ? N Y 
PRD_000825 1 7 LEU ? N Y 
PRD_000825 1 8 ASP ? N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000825 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 9606 
_pdbx_reference_entity_src_nat.organism_scientific   "Homo sapiens" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000825 2012-09-14 RCSB "Create molecule"    
PRD_000825 2012-12-12 RCSB "Initial release"    
PRD_000825 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000826
# 
_pdbx_reference_molecule.prd_id                       PRD_000826 
_pdbx_reference_molecule.name                         "SRKIDNLD peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C39 H69 N13 O14" 
_pdbx_reference_molecule.formula_weight               944.044 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3AVM 
# 
_pdbx_reference_entity_list.prd_id          PRD_000826 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000826 1 1 N SER 1 C ASP 8 sing 1 ? ? ? 
PRD_000826 1 2 C SER 1 N ARG 2 sing 1 ? ? ? 
PRD_000826 1 3 C ARG 2 N LYS 3 sing 1 ? ? ? 
PRD_000826 1 4 C LYS 3 N ILE 4 sing 1 ? ? ? 
PRD_000826 1 5 C ILE 4 N ASP 5 sing 1 ? ? ? 
PRD_000826 1 6 C ASP 5 N ASN 6 sing 1 ? ? ? 
PRD_000826 1 7 C ASN 6 N LEU 7 sing 1 ? ? ? 
PRD_000826 1 8 C LEU 7 N ASP 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000826 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000826 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000826 1 1 SER ? N Y 
PRD_000826 1 2 ARG ? N Y 
PRD_000826 1 3 LYS ? N Y 
PRD_000826 1 4 ILE ? N Y 
PRD_000826 1 5 ASP ? N Y 
PRD_000826 1 6 ASN ? N Y 
PRD_000826 1 7 LEU ? N Y 
PRD_000826 1 8 ASP ? N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000826 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 9606 
_pdbx_reference_entity_src_nat.organism_scientific   "Homo sapiens" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000826 2012-09-14 RCSB "Create molecule"    
PRD_000826 2012-12-12 RCSB "Initial release"    
PRD_000826 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000827
# 
_pdbx_reference_molecule.prd_id                       PRD_000827 
_pdbx_reference_molecule.name                         "SHKIDNLD peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C39 H64 N12 O14" 
_pdbx_reference_molecule.formula_weight               924.997 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3AVN 
# 
_pdbx_reference_entity_list.prd_id          PRD_000827 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000827 1 1 N SER 1 C ASP 8 sing 1 ? ? ? 
PRD_000827 1 2 C SER 1 N HIS 2 sing 1 ? ? ? 
PRD_000827 1 3 C HIS 2 N LYS 3 sing 1 ? ? ? 
PRD_000827 1 4 C LYS 3 N ILE 4 sing 1 ? ? ? 
PRD_000827 1 5 C ILE 4 N ASP 5 sing 1 ? ? ? 
PRD_000827 1 6 C ASP 5 N ASN 6 sing 1 ? ? ? 
PRD_000827 1 7 C ASN 6 N LEU 7 sing 1 ? ? ? 
PRD_000827 1 8 C LEU 7 N ASP 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000827 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000827 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000827 1 1 SER ? N Y 
PRD_000827 1 2 HIS ? N Y 
PRD_000827 1 3 LYS ? N Y 
PRD_000827 1 4 ILE ? N Y 
PRD_000827 1 5 ASP ? N Y 
PRD_000827 1 6 ASN ? N Y 
PRD_000827 1 7 LEU ? N Y 
PRD_000827 1 8 ASP ? N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000827 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 9606 
_pdbx_reference_entity_src_nat.organism_scientific   "Homo sapiens" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000827 2012-09-14 RCSB "Create molecule"    
PRD_000827 2012-12-12 RCSB "Initial release"    
PRD_000827 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000828
# 
_pdbx_reference_molecule.prd_id                       PRD_000828 
_pdbx_reference_molecule.name                         "Trichovirin I-4A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptaibol 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C67 H115 N15 O16" 
_pdbx_reference_molecule.formula_weight               1386.721 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3SBN 
# 
_pdbx_reference_entity_list.prd_id          PRD_000828 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000828 1 1  C ACE 1  N AIB 2  sing 1 ? ? ? 
PRD_000828 1 2  C AIB 2  N ASN 3  sing 1 ? ? ? 
PRD_000828 1 3  C ASN 3  N LEU 4  sing 1 ? ? ? 
PRD_000828 1 4  C LEU 4  N AIB 5  sing 1 ? ? ? 
PRD_000828 1 5  C AIB 5  N PRO 6  sing 1 ? ? ? 
PRD_000828 1 6  C PRO 6  N ALA 7  sing 1 ? ? ? 
PRD_000828 1 7  C ALA 7  N VAL 8  sing 1 ? ? ? 
PRD_000828 1 8  C VAL 8  N AIB 9  sing 1 ? ? ? 
PRD_000828 1 9  C AIB 9  N PRO 10 sing 1 ? ? ? 
PRD_000828 1 10 C PRO 10 N AIB 11 sing 1 ? ? ? 
PRD_000828 1 11 C AIB 11 N LEU 12 sing 1 ? ? ? 
PRD_000828 1 12 C LEU 12 N AIB 13 sing 1 ? ? ? 
PRD_000828 1 13 C AIB 13 N PRO 14 sing 1 ? ? ? 
PRD_000828 1 14 C PRO 14 N DCL 15 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000828 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00990 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000828 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000828 1 1  ACE ?   N Y 
PRD_000828 1 2  AIB ALA N Y 
PRD_000828 1 3  ASN ASN N Y 
PRD_000828 1 4  LEU LEU N Y 
PRD_000828 1 5  AIB ALA N Y 
PRD_000828 1 6  PRO PRO N Y 
PRD_000828 1 7  ALA ALA N Y 
PRD_000828 1 8  VAL VAL N Y 
PRD_000828 1 9  AIB ALA N Y 
PRD_000828 1 10 PRO PRO N Y 
PRD_000828 1 11 AIB ALA N Y 
PRD_000828 1 12 LEU LEU N Y 
PRD_000828 1 13 AIB ALA N Y 
PRD_000828 1 14 PRO PRO N Y 
PRD_000828 1 15 DCL ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000828 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 5547 
_pdbx_reference_entity_src_nat.organism_scientific   "Hypocrea rufa" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000828 2012-09-14 RCSB "Create molecule" 
PRD_000828 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000829
# 
_pdbx_reference_molecule.prd_id                       PRD_000829 
_pdbx_reference_molecule.name                         "OS1 peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C51 H87 N17 O16 S3" 
_pdbx_reference_molecule.formula_weight               1290.536 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3P72 
# 
_pdbx_reference_entity_list.prd_id          PRD_000829 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000829 1 1  C  CYS 1  N  THR 2  sing 1 ? ? ? 
PRD_000829 1 2  SG CYS 1  SG CYS 11 sing 1 ? ? ? 
PRD_000829 1 3  C  THR 2  N  GLU 3  sing 1 ? ? ? 
PRD_000829 1 4  C  GLU 3  N  ARG 4  sing 1 ? ? ? 
PRD_000829 1 5  C  ARG 4  N  MET 5  sing 1 ? ? ? 
PRD_000829 1 6  C  MET 5  N  ALA 6  sing 1 ? ? ? 
PRD_000829 1 7  C  ALA 6  N  LEU 7  sing 1 ? ? ? 
PRD_000829 1 8  C  LEU 7  N  HIS 8  sing 1 ? ? ? 
PRD_000829 1 9  C  HIS 8  N  ASN 9  sing 1 ? ? ? 
PRD_000829 1 10 C  ASN 9  N  LEU 10 sing 1 ? ? ? 
PRD_000829 1 11 C  LEU 10 N  CYS 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000829 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000829 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000829 1 1  CYS CYS N Y 
PRD_000829 1 2  THR THR N Y 
PRD_000829 1 3  GLU GLU N Y 
PRD_000829 1 4  ARG ARG N Y 
PRD_000829 1 5  MET MET N Y 
PRD_000829 1 6  ALA ALA N Y 
PRD_000829 1 7  LEU LEU N Y 
PRD_000829 1 8  HIS HIS N Y 
PRD_000829 1 9  ASN ASN N Y 
PRD_000829 1 10 LEU LEU N Y 
PRD_000829 1 11 CYS CYS N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000829 2012-09-14 RCSB "Create molecule"    
PRD_000829 2012-12-12 RCSB "Initial release"    
PRD_000829 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000830
# 
_pdbx_reference_molecule.prd_id                       PRD_000830 
_pdbx_reference_molecule.name                         "N-[(2S)-3-[(S)-(4-BROMOPHENYL)(HYDROXY)PHOSPHORYL]-2-{[3-(3'-CHLOROBIPHENYL-4-YL)-1,2-OXAZOL-5-YL]METHYL}PROPANOYL]-L-ALPHA-GLUTAMYL-L-ALPHA-GLUTAMINE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H35 Br Cl N4 O10 P" 
_pdbx_reference_molecule.formula_weight               818.004 
_pdbx_reference_molecule.chem_comp_id                 R47 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4GQL 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000830 
_pdbx_reference_entity_subcomponents.seq            "0YL GLU GLU NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   R47 
# 
_pdbx_reference_entity_list.prd_id          PRD_000830 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000830 1 1 N GLU 2 C25 0YL 1 sing 1 ? ? ? 
PRD_000830 1 2 C GLU 2 N   GLU 3 sing 1 ? ? ? 
PRD_000830 1 3 N NH2 4 C   GLU 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000830 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000830 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000830 1 1 0YL ? N Y 
PRD_000830 1 2 GLU ? N Y 
PRD_000830 1 3 GLU ? N Y 
PRD_000830 1 4 NH2 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000830 2012-09-14 RCSB "Create molecule" 
PRD_000830 2013-02-06 RCSB "Initial release" 
# 
data_PRD_000833
# 
_pdbx_reference_molecule.prd_id                       PRD_000833 
_pdbx_reference_molecule.name                         "5-methyltetrahydrofolate pentaglutamate" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C40 H53 N11 O18" 
_pdbx_reference_molecule.formula_weight               975.912 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3THS 
# 
_pdbx_reference_entity_list.prd_id          PRD_000833 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000833 1 1 C  03O 1 N GGL 2 sing 1 ? ? ? 
PRD_000833 1 2 CD GGL 2 N GGL 3 sing 1 ? ? ? 
PRD_000833 1 3 CD GGL 3 N GGL 4 sing 1 ? ? ? 
PRD_000833 1 4 CD GGL 4 N GGL 5 sing 1 ? ? ? 
PRD_000833 1 5 CD GGL 5 N GGL 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000833 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000833 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000833 1 1 03O ? N Y 
PRD_000833 1 2 GGL ? N Y 
PRD_000833 1 3 GGL ? N Y 
PRD_000833 1 4 GGL ? N N 
PRD_000833 1 5 GGL ? N N 
PRD_000833 1 6 GGL ? N N 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000833 2012-10-01 RCSB "Create molecule"    
PRD_000833 2012-12-12 RCSB "Initial release"    
PRD_000833 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000841
# 
_pdbx_reference_molecule.prd_id                       PRD_000841 
_pdbx_reference_molecule.name                         CARBOXYPROPYL-BETA-THIOGALACTOSIDE-LYS-PRO-LEUNH2 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Glycopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H48 N5 O9 S" 
_pdbx_reference_molecule.formula_weight               606.752 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3ZYH 
# 
_pdbx_reference_entity_list.prd_id          PRD_000841 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000841 1 1 C3A G0S 1 N LYS 2 sing 1 ? ? ? 
PRD_000841 1 2 C   LYS 2 N PRO 3 sing 1 ? ? ? 
PRD_000841 1 3 C   PRO 3 N LEU 4 sing 1 ? ? ? 
PRD_000841 1 4 C   LEU 4 N NH2 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000841 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000841 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000841 1 1 G0S ?   N Y 
PRD_000841 1 2 LYS LYS N N 
PRD_000841 1 3 PRO PRO N N 
PRD_000841 1 4 LEU LEU N N 
PRD_000841 1 5 NH2 ?   N N 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000841 2012-10-01 RCSB "Create molecule"    
PRD_000841 2013-06-03 RCSB "Other modification" 
PRD_000841 2015-09-16 RCSB "Initial release"    
# 
data_PRD_000842
# 
_pdbx_reference_molecule.prd_id                       PRD_000842 
_pdbx_reference_molecule.name                         "PTA-SFTI INHIBITOR" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C66 H106 N20 O18 S2" 
_pdbx_reference_molecule.formula_weight               1531.801 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Bowman-Birk inhibitor that was 1,4-disubstiitued with a 1,2,3-trizon to minic a trans amide bond" 
_pdbx_reference_molecule.description                  "Bowman-Birk Inhibitor" 
_pdbx_reference_molecule.representative_PDB_id_code   4ABI 
# 
_pdbx_reference_entity_list.prd_id          PRD_000842 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000842 1 1  C  GLY 1  N  ARG 2  sing 1 ? ? ? 
PRD_000842 1 2  C  ARG 2  N  CYS 3  sing 1 ? ? ? 
PRD_000842 1 3  C  CYS 3  N  THR 4  sing 1 ? ? ? 
PRD_000842 1 4  SG CYS 3  SG CYS 10 sing 1 ? ? ? 
PRD_000842 1 5  C  THR 4  N  LYS 5  sing 1 ? ? ? 
PRD_000842 1 6  C  LYS 5  N  SER 6  sing 1 ? ? ? 
PRD_000842 1 7  C  SER 6  N  ILE 7  sing 1 ? ? ? 
PRD_000842 1 8  C  ILE 7  N  PLF 8  sing 1 ? ? ? 
PRD_000842 1 9  C  PLF 8  N  ILE 9  sing 1 ? ? ? 
PRD_000842 1 10 C  ILE 9  N  CYS 10 sing 1 ? ? ? 
PRD_000842 1 11 C  CYS 10 N  PHE 11 sing 1 ? ? ? 
PRD_000842 1 12 C  PHE 11 N  PRO 12 sing 1 ? ? ? 
PRD_000842 1 13 C  PRO 12 N  ASP 13 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000842 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         Q4GWU5 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000842 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000842 1 1  GLY ? N Y 
PRD_000842 1 2  ARG ? N Y 
PRD_000842 1 3  CYS ? N Y 
PRD_000842 1 4  THR ? N Y 
PRD_000842 1 5  LYS ? N Y 
PRD_000842 1 6  SER ? N Y 
PRD_000842 1 7  ILE ? N Y 
PRD_000842 1 8  PLF ? N Y 
PRD_000842 1 9  ILE ? N Y 
PRD_000842 1 10 CYS ? N Y 
PRD_000842 1 11 PHE ? N Y 
PRD_000842 1 12 PRO ? N N 
PRD_000842 1 13 ASP ? N N 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000842 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 32630 
_pdbx_reference_entity_src_nat.organism_scientific   "SYNTHETIC CONSTRUCT" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000842 2012-10-01 RCSB "Create molecule"    
PRD_000842 2012-12-12 RCSB "Initial release"    
PRD_000842 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000843
# 
_pdbx_reference_molecule.prd_id                       PRD_000843 
_pdbx_reference_molecule.name                         "(1R,2S,5S)-N-[(2S,3R)-4-AMINO-1-CYCLOBUTYL-3-HYDROXY-4-OXOBUTAN-2-YL]-6,6-DIMETHYL-3-{3-METHYL-N-[(1-METHYLCYCLOHEXYL)CARBAMOYL]-L-VALYL}-3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H51 N5 O5" 
_pdbx_reference_molecule.formula_weight               561.756 
_pdbx_reference_molecule.chem_comp_id                 MCX 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3LOX 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000843 
_pdbx_reference_entity_subcomponents.seq            "12K TBG 12L 12N NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   MCX 
# 
_pdbx_reference_entity_list.prd_id          PRD_000843 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000843 1 1 N   TBG 2 C1  12K 1 sing 1 ? ? ? 
PRD_000843 1 2 C   TBG 2 N19 12L 3 sing 1 ? ? ? 
PRD_000843 1 3 C27 12L 3 N29 12N 4 sing 1 ? ? ? 
PRD_000843 1 4 N   NH2 5 C40 12N 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000843 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000843 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000843 1 1 12K ?   N Y 
PRD_000843 1 2 TBG VAL N Y 
PRD_000843 1 3 12L ?   N Y 
PRD_000843 1 4 12N ?   N Y 
PRD_000843 1 5 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000843 2012-10-01 RCSB "Create molecule" 
PRD_000843 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000845
# 
_pdbx_reference_molecule.prd_id                       PRD_000845 
_pdbx_reference_molecule.name                         "N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-4-[(8-BROMO-7-METHOXY-2-{2-[(2-METHYLPROPANOYL)AMINO]-1,3-THIAZOL-4-YL}QUINOLIN-4-YL)OXY]-N-[(1R,2S)-1-CARBOXY-2-ETHENYLCYCLOPROPYL]-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C40 H49 Br N6 O9 S" 
_pdbx_reference_molecule.formula_weight               869.821 
_pdbx_reference_molecule.chem_comp_id                 L4T 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3P8N 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000845 
_pdbx_reference_entity_subcomponents.seq            "12W TBG 12X 0Y9" 
_pdbx_reference_entity_subcomponents.chem_comp_id   L4T 
# 
_pdbx_reference_entity_list.prd_id          PRD_000845 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000845 1 1 N   TBG 2 C25 12W 1 sing 1 ? ? ? 
PRD_000845 1 2 C   TBG 2 N16 12X 3 sing 1 ? ? ? 
PRD_000845 1 3 C10 12X 3 N   0Y9 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000845 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000845 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000845 1 1 12W ?   N Y 
PRD_000845 1 2 TBG VAL N Y 
PRD_000845 1 3 12X PRO N Y 
PRD_000845 1 4 0Y9 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000845 2012-10-01 RCSB "Create molecule"    
PRD_000845 2012-12-12 RCSB "Initial release"    
PRD_000845 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000846
# 
_pdbx_reference_molecule.prd_id                       PRD_000846 
_pdbx_reference_molecule.name                         "TRYPSIN INHIBITOR 1" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C66 H106 N20 O18 S2" 
_pdbx_reference_molecule.formula_weight               1531.801 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Bowman-Birk inhibitor  (ICA)SFTI-1(1,14), that was 1,5-disubstituted with 1,2,3-trizol to mimic a cis amide bond" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4ABJ 
# 
_pdbx_reference_entity_list.prd_id          PRD_000846 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000846 1 1  C  GLY 1  N  ARG 2  sing 1 ? ? ? 
PRD_000846 1 2  C  ARG 2  N  CYS 3  sing 1 ? ? ? 
PRD_000846 1 3  C  CYS 3  N  THR 4  sing 1 ? ? ? 
PRD_000846 1 4  SG CYS 3  SG CYS 10 sing 1 ? ? ? 
PRD_000846 1 5  C  THR 4  N  LYS 5  sing 1 ? ? ? 
PRD_000846 1 6  C  LYS 5  N  SER 6  sing 1 ? ? ? 
PRD_000846 1 7  C  SER 6  N  PLW 7  sing 1 ? ? ? 
PRD_000846 1 8  C  PLW 7  N  PRO 8  sing 1 ? ? ? 
PRD_000846 1 9  C  PRO 8  N  ILE 9  sing 1 ? ? ? 
PRD_000846 1 10 C  ILE 9  N  CYS 10 sing 1 ? ? ? 
PRD_000846 1 11 C  CYS 10 N  PHE 11 sing 1 ? ? ? 
PRD_000846 1 12 C  PHE 11 N  PRO 12 sing 1 ? ? ? 
PRD_000846 1 13 C  PRO 12 N  ASP 13 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000846 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         Q4GWU5 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000846 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000846 1 1  GLY GLY N N 
PRD_000846 1 2  ARG ARG N Y 
PRD_000846 1 3  CYS CYS N Y 
PRD_000846 1 4  THR THR N Y 
PRD_000846 1 5  LYS LYS N Y 
PRD_000846 1 6  SER SER N Y 
PRD_000846 1 7  PLW ?   N Y 
PRD_000846 1 8  PRO PRO N Y 
PRD_000846 1 9  ILE ILE N Y 
PRD_000846 1 10 CYS CYS N Y 
PRD_000846 1 11 PHE PHE N Y 
PRD_000846 1 12 PRO PRO N N 
PRD_000846 1 13 ASP ASP N N 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000846 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 4232 
_pdbx_reference_entity_src_nat.organism_scientific   "HELIANTHUS ANNUUS" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000846 2012-10-01 RCSB "Create molecule"    
PRD_000846 2012-12-12 RCSB "Initial release"    
PRD_000846 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000849
# 
_pdbx_reference_molecule.prd_id                       PRD_000849 
_pdbx_reference_molecule.name                         "N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-[(1R,2S)-1-CARBOXY-2-ETHENYLCYCLOPROPYL]-4-[(7-METHOXY-2-{2-[(2-METHYLPROPANOYL)AMINO]-1,3-THIAZOL-4-YL}QUINOLIN-4-YL)OXY]-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C40 H50 N6 O9 S" 
_pdbx_reference_molecule.formula_weight               790.925 
_pdbx_reference_molecule.chem_comp_id                 L5T 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3P8O 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000849 
_pdbx_reference_entity_subcomponents.seq            "12W TBG 12Y 0Y9" 
_pdbx_reference_entity_subcomponents.chem_comp_id   L5T 
# 
_pdbx_reference_entity_list.prd_id          PRD_000849 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000849 1 1 N   0Y9 4 C10 12Y 3 sing 1 ? ? ? 
PRD_000849 1 2 N16 12Y 3 C   TBG 2 sing 1 ? ? ? 
PRD_000849 1 3 C25 12W 1 N   TBG 2 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000849 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000849 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000849 1 1 12W ?   N Y 
PRD_000849 1 2 TBG VAL N Y 
PRD_000849 1 3 12Y PRO N Y 
PRD_000849 1 4 0Y9 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000849 2012-10-01 RCSB "Create molecule"    
PRD_000849 2012-12-12 RCSB "Initial release"    
PRD_000849 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000854
# 
_pdbx_reference_molecule.prd_id                       PRD_000854 
_pdbx_reference_molecule.name                         "DB6 peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C57 H77 N13 O11" 
_pdbx_reference_molecule.formula_weight               1120.302 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3URL 
# 
_pdbx_reference_entity_list.prd_id          PRD_000854 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "HIS SER LEU PHE HIS PUK THR PRO " 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000854 1 1 C HIS 1 N SER 2 sing 1 ? ? ? 
PRD_000854 1 2 C SER 2 N LEU 3 sing 1 ? ? ? 
PRD_000854 1 3 C LEU 3 N PHE 4 sing 1 ? ? ? 
PRD_000854 1 4 C PHE 4 N HIS 5 sing 1 ? ? ? 
PRD_000854 1 5 C HIS 5 N PUK 6 sing 1 ? ? ? 
PRD_000854 1 6 C PUK 6 N THR 7 sing 1 ? ? ? 
PRD_000854 1 7 C THR 7 N PRO 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000854 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000854 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000854 1 1 HIS HIS N Y 
PRD_000854 1 2 SER SER N Y 
PRD_000854 1 3 LEU LEU N Y 
PRD_000854 1 4 PHE PHE N Y 
PRD_000854 1 5 HIS HIS N Y 
PRD_000854 1 6 PUK ?   N Y 
PRD_000854 1 7 THR THR N Y 
PRD_000854 1 8 PRO PRO N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000854 2012-10-02 RCSB "Create molecule"    
PRD_000854 2012-12-12 RCSB "Initial release"    
PRD_000854 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000855
# 
_pdbx_reference_molecule.prd_id                       PRD_000855 
_pdbx_reference_molecule.name                         "DB5 peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C49 H74 N15 O10 S" 
_pdbx_reference_molecule.formula_weight               1065.271 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3URI 
# 
_pdbx_reference_entity_list.prd_id          PRD_000855 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "HIS PRO HIS LEU SER 13E ALA HIS" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000855 1 1 C HIS 1 N PRO 2 sing 1 ? ? ? 
PRD_000855 1 2 C PRO 2 N HIS 3 sing 1 ? ? ? 
PRD_000855 1 3 C HIS 3 N LEU 4 sing 1 ? ? ? 
PRD_000855 1 4 C LEU 4 N SER 5 sing 1 ? ? ? 
PRD_000855 1 5 C SER 5 N 13E 6 sing 1 ? ? ? 
PRD_000855 1 6 C 13E 6 N ALA 7 sing 1 ? ? ? 
PRD_000855 1 7 C ALA 7 N HIS 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000855 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000855 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000855 1 1 HIS HIS N N 
PRD_000855 1 2 PRO PRO N Y 
PRD_000855 1 3 HIS HIS N Y 
PRD_000855 1 4 LEU LEU N Y 
PRD_000855 1 5 SER SER N Y 
PRD_000855 1 6 13E ?   N Y 
PRD_000855 1 7 ALA ALA N Y 
PRD_000855 1 8 HIS HIS N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000855 2012-10-02 RCSB "Create molecule"    
PRD_000855 2012-12-12 RCSB "Initial release"    
PRD_000855 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000857
# 
_pdbx_reference_molecule.prd_id                       PRD_000857 
_pdbx_reference_molecule.name                         "SAH-p53-8 stapled-peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C96 H151 N26 O25" 
_pdbx_reference_molecule.formula_weight               2069.385 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3V3B 
# 
_pdbx_reference_entity_list.prd_id          PRD_000857 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000857 1 1  C   GLN 1  N  SER 2  sing 1 ? ? ? 
PRD_000857 1 2  C   SER 2  N  GLN 3  sing 1 ? ? ? 
PRD_000857 1 3  C   GLN 3  N  GLN 4  sing 1 ? ? ? 
PRD_000857 1 4  C   GLN 4  N  THR 5  sing 1 ? ? ? 
PRD_000857 1 5  C   THR 5  N  PHE 6  sing 1 ? ? ? 
PRD_000857 1 6  C   PHE 6  N  0EH 7  sing 1 ? ? ? 
PRD_000857 1 7  C   0EH 7  N  ASN 8  sing 1 ? ? ? 
PRD_000857 1 8  CAT 0EH 7  CE MK8 14 doub 1 ? ? ? 
PRD_000857 1 9  C   ASN 8  N  LEU 9  sing 1 ? ? ? 
PRD_000857 1 10 C   LEU 9  N  TRP 10 sing 1 ? ? ? 
PRD_000857 1 11 C   TRP 10 N  ARG 11 sing 1 ? ? ? 
PRD_000857 1 12 C   ARG 11 N  LEU 12 sing 1 ? ? ? 
PRD_000857 1 13 C   LEU 12 N  LEU 13 sing 1 ? ? ? 
PRD_000857 1 14 C   LEU 13 N  MK8 14 sing 1 ? ? ? 
PRD_000857 1 15 C   MK8 14 N  GLN 15 sing 1 ? ? ? 
PRD_000857 1 16 C   GLN 15 N  ASN 16 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000857 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000857 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000857 1 1  GLN GLN N N 
PRD_000857 1 2  SER SER N N 
PRD_000857 1 3  GLN GLN N N 
PRD_000857 1 4  GLN GLN N N 
PRD_000857 1 5  THR THR N Y 
PRD_000857 1 6  PHE PHE N Y 
PRD_000857 1 7  0EH ALA N Y 
PRD_000857 1 8  ASN ASN N Y 
PRD_000857 1 9  LEU LEU N Y 
PRD_000857 1 10 TRP TRP N Y 
PRD_000857 1 11 ARG ARG N Y 
PRD_000857 1 12 LEU LEU N Y 
PRD_000857 1 13 LEU LEU N Y 
PRD_000857 1 14 MK8 LEU N Y 
PRD_000857 1 15 GLN GLN N N 
PRD_000857 1 16 ASN ASN N N 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000857 2012-10-02 RCSB "Create molecule"    
PRD_000857 2012-12-12 RCSB "Initial release"    
PRD_000857 2013-06-03 RCSB "Other modification" 
PRD_000857 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000865
# 
_pdbx_reference_molecule.prd_id                       PRD_000865 
_pdbx_reference_molecule.name                         "N-[(2S)-3-[(R)-(4-BROMOPHENYL)(HYDROXY)PHOSPHORYL]-2-{[3-(3'-CHLOROBIPHENYL-4-YL)-1,2-OXAZOL-5-YL]METHYL}PROPANOYL]-L-ALANYL-L-ALANINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H31 Br Cl N4 O6 P" 
_pdbx_reference_molecule.formula_weight               701.932 
_pdbx_reference_molecule.chem_comp_id                 R4B 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4GR0 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000865 
_pdbx_reference_entity_subcomponents.seq            "0YL ALA ALA NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   R4B 
# 
_pdbx_reference_entity_list.prd_id          PRD_000865 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000865 1 1 C ALA 3 N   NH2 4 sing 1 ? ? ? 
PRD_000865 1 2 N ALA 3 C   ALA 2 sing 1 ? ? ? 
PRD_000865 1 3 N ALA 2 C25 0YL 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000865 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000865 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000865 1 1 0YL ?   N Y 
PRD_000865 1 2 ALA ALA N Y 
PRD_000865 1 3 ALA ALA N Y 
PRD_000865 1 4 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000865 2012-10-04 RCSB "Create molecule" 
PRD_000865 2013-02-06 RCSB "Initial release" 
# 
data_PRD_000866
# 
_pdbx_reference_molecule.prd_id                       PRD_000866 
_pdbx_reference_molecule.name                         "N-{(2S)-3-[(S)-(4-BROMOPHENYL)(HYDROXY)PHOSPHORYL]-2-[(3-PHENYL-1,2-OXAZOL-5-YL)METHYL]PROPANOYL}-L-ALPHA-GLUTAMYL-L-ALPHA-GLUTAMINE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H32 Br N4 O10 P" 
_pdbx_reference_molecule.formula_weight               707.463 
_pdbx_reference_molecule.chem_comp_id                 R45 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4GR3 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000866 
_pdbx_reference_entity_subcomponents.seq            "14E GLU GLU NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   R45 
# 
_pdbx_reference_entity_list.prd_id          PRD_000866 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000866 1 1 N GLU 2 C25 14E 1 sing 1 ? ? ? 
PRD_000866 1 2 C GLU 2 N   GLU 3 sing 1 ? ? ? 
PRD_000866 1 3 N NH2 4 C   GLU 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000866 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000866 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000866 1 1 14E ?   N Y 
PRD_000866 1 2 GLU GLU N Y 
PRD_000866 1 3 GLU GLU N Y 
PRD_000866 1 4 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000866 2012-10-04 RCSB "Create molecule" 
PRD_000866 2013-02-06 RCSB "Initial release" 
# 
data_PRD_000868
# 
_pdbx_reference_molecule.prd_id                       PRD_000868 
_pdbx_reference_molecule.name                         "N-{(2S)-3-[(R)-(4-BROMOPHENYL)(HYDROXY)PHOSPHORYL]-2-[(3-PHENYL-1,2-OXAZOL-5-YL)METHYL]PROPANOYL}-L-ALANYL-L-ALANINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H28 Br N4 O6 P" 
_pdbx_reference_molecule.formula_weight               591.391 
_pdbx_reference_molecule.chem_comp_id                 R4C 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4GR8 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000868 
_pdbx_reference_entity_subcomponents.seq            "14E ALA ALA NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   R4C 
# 
_pdbx_reference_entity_list.prd_id          PRD_000868 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000868 1 1 C ALA 3 N   NH2 4 sing 1 ? ? ? 
PRD_000868 1 2 N ALA 3 C   ALA 2 sing 1 ? ? ? 
PRD_000868 1 3 N ALA 2 C25 14E 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000868 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000868 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000868 1 1 14E ?   N Y 
PRD_000868 1 2 ALA ALA N Y 
PRD_000868 1 3 ALA ALA N Y 
PRD_000868 1 4 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000868 2012-10-04 RCSB "Create molecule" 
PRD_000868 2013-02-06 RCSB "Initial release" 
# 
data_PRD_000870
# 
_pdbx_reference_molecule.prd_id                       PRD_000870 
_pdbx_reference_molecule.name                         "bisubstrate inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H30 N6 O18" 
_pdbx_reference_molecule.formula_weight               678.514 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4FBX 
# 
_pdbx_reference_entity_list.prd_id          PRD_000870 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000870 1 1 C6 0TJ 1 N GLY 2 sing 1 ? ? ? 
PRD_000870 1 2 C  GLY 2 N ASP 3 sing 1 ? ? ? 
PRD_000870 1 3 C  ASP 3 N ASP 4 sing 1 ? ? ? 
PRD_000870 1 4 C  ASP 4 N ASP 5 sing 1 ? ? ? 
PRD_000870 1 5 C  ASP 5 N ASP 6 sing 1 ? ? ? 
PRD_000870 1 6 C  ASP 6 N ASP 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000870 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000870 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000870 1 1 0TJ ?   N Y 
PRD_000870 1 2 GLY GLY N N 
PRD_000870 1 3 ASP ASP N N 
PRD_000870 1 4 ASP ASP N N 
PRD_000870 1 5 ASP ASP N N 
PRD_000870 1 6 ASP ASP N N 
PRD_000870 1 7 ASP ASP N N 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000870 2012-10-08 RCSB "Create molecule"    
PRD_000870 2012-12-12 RCSB "Initial release"    
PRD_000870 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000874
# 
_pdbx_reference_molecule.prd_id                       PRD_000874 
_pdbx_reference_molecule.name                         "PawS Derived Peptide 4 (PDP-4)" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C59 H82 N18 O15 S2" 
_pdbx_reference_molecule.formula_weight               1347.524 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2LWS 
# 
_pdbx_reference_entity_list.prd_id          PRD_000874 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000874 1 1  N  GLY 1  C  ASP 12 sing 1 ? ? ? 
PRD_000874 1 2  C  GLY 1  N  SER 2  sing 1 ? ? ? 
PRD_000874 1 3  C  SER 2  N  CYS 3  sing 1 ? ? ? 
PRD_000874 1 4  C  CYS 3  N  PHE 4  sing 1 ? ? ? 
PRD_000874 1 5  SG CYS 3  SG CYS 8  sing 1 ? ? ? 
PRD_000874 1 6  C  PHE 4  N  GLY 5  sing 1 ? ? ? 
PRD_000874 1 7  C  GLY 5  N  ALA 6  sing 1 ? ? ? 
PRD_000874 1 8  C  ALA 6  N  PHE 7  sing 1 ? ? ? 
PRD_000874 1 9  C  PHE 7  N  CYS 8  sing 1 ? ? ? 
PRD_000874 1 10 C  CYS 8  N  PHE 9  sing 1 ? ? ? 
PRD_000874 1 11 C  PHE 9  N  ARG 10 sing 1 ? ? ? 
PRD_000874 1 12 C  ARG 10 N  ARG 11 sing 1 ? ? ? 
PRD_000874 1 13 C  ARG 11 N  ASP 12 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000874 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000874 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000874 1 1  GLY GLY N Y 
PRD_000874 1 2  SER SER N Y 
PRD_000874 1 3  CYS CYS N Y 
PRD_000874 1 4  PHE PHE N Y 
PRD_000874 1 5  GLY GLY N Y 
PRD_000874 1 6  ALA ALA N Y 
PRD_000874 1 7  PHE PHE N Y 
PRD_000874 1 8  CYS CYS N Y 
PRD_000874 1 9  PHE PHE N Y 
PRD_000874 1 10 ARG ARG N Y 
PRD_000874 1 11 ARG ARG N Y 
PRD_000874 1 12 ASP ASP N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000874 2012-10-09 RCSB "Create molecule"    
PRD_000874 2013-06-03 RCSB "Other modification" 
PRD_000874 2013-08-21 RCSB "Initial release"    
# 
data_PRD_000875
# 
_pdbx_reference_molecule.prd_id                       PRD_000875 
_pdbx_reference_molecule.name                         "PawS Derived Peptide 7 (PDP-7)" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C65 H106 N20 O20 S2" 
_pdbx_reference_molecule.formula_weight               1551.789 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2LWU 
# 
_pdbx_reference_entity_list.prd_id          PRD_000875 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000875 1 1  N  GLY 1  C  ASP 15 sing 1 ? ? ? 
PRD_000875 1 2  C  GLY 1  N  HIS 2  sing 1 ? ? ? 
PRD_000875 1 3  C  HIS 2  N  CYS 3  sing 1 ? ? ? 
PRD_000875 1 4  C  CYS 3  N  ILE 4  sing 1 ? ? ? 
PRD_000875 1 5  SG CYS 3  SG CYS 12 sing 1 ? ? ? 
PRD_000875 1 6  C  ILE 4  N  PRO 5  sing 1 ? ? ? 
PRD_000875 1 7  C  PRO 5  N  THR 6  sing 1 ? ? ? 
PRD_000875 1 8  C  THR 6  N  THR 7  sing 1 ? ? ? 
PRD_000875 1 9  C  THR 7  N  SER 8  sing 1 ? ? ? 
PRD_000875 1 10 C  SER 8  N  GLY 9  sing 1 ? ? ? 
PRD_000875 1 11 C  GLY 9  N  PRO 10 sing 1 ? ? ? 
PRD_000875 1 12 C  PRO 10 N  ILE 11 sing 1 ? ? ? 
PRD_000875 1 13 C  ILE 11 N  CYS 12 sing 1 ? ? ? 
PRD_000875 1 14 C  CYS 12 N  LEU 13 sing 1 ? ? ? 
PRD_000875 1 15 C  LEU 13 N  ARG 14 sing 1 ? ? ? 
PRD_000875 1 16 C  ARG 14 N  ASP 15 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000875 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000875 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000875 1 1  GLY GLY N Y 
PRD_000875 1 2  HIS HIS N Y 
PRD_000875 1 3  CYS CYS N Y 
PRD_000875 1 4  ILE ILE N Y 
PRD_000875 1 5  PRO PRO N Y 
PRD_000875 1 6  THR THR N Y 
PRD_000875 1 7  THR THR N Y 
PRD_000875 1 8  SER SER N Y 
PRD_000875 1 9  GLY GLY N Y 
PRD_000875 1 10 PRO PRO N Y 
PRD_000875 1 11 ILE ILE N Y 
PRD_000875 1 12 CYS CYS N Y 
PRD_000875 1 13 LEU LEU N Y 
PRD_000875 1 14 ARG ARG N Y 
PRD_000875 1 15 ASP ASP N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000875 2012-10-09 RCSB "Create molecule"    
PRD_000875 2013-06-03 RCSB "Other modification" 
PRD_000875 2013-08-21 RCSB "Initial release"    
# 
data_PRD_000877
# 
_pdbx_reference_molecule.prd_id                       PRD_000877 
_pdbx_reference_molecule.name                         "(2S)-1-[(2R)-2-(BENZYLSULFONYLAMINO)-5-GUANIDINO-PENTANOYL]-N-[(4-CARBAMIMIDOYLPHENYL)METHYL]PYRROLIDINE-2-CARBOXAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H36 N8 O4 S" 
_pdbx_reference_molecule.formula_weight               556.680 
_pdbx_reference_molecule.chem_comp_id                 BJA 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3U98 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000877 
_pdbx_reference_entity_subcomponents.seq            "PMS DAR PRO 00S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   BJA 
# 
_pdbx_reference_entity_list.prd_id          PRD_000877 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000877 1 1 S PMS 1 N   DAR 2 sing 1 ? ? ? 
PRD_000877 1 2 C DAR 2 N   PRO 3 sing 1 ? ? ? 
PRD_000877 1 3 C PRO 3 N23 00S 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000877 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000877 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000877 1 1 PMS ?   N Y 
PRD_000877 1 2 DAR ?   N Y 
PRD_000877 1 3 PRO PRO N Y 
PRD_000877 1 4 00S ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000877 2012-10-11 PDBJ "Create molecule" 
PRD_000877 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000882
# 
_pdbx_reference_molecule.prd_id                       PRD_000882 
_pdbx_reference_molecule.name                         "MonodeChloro- Teicoplanin A2-2" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Glycopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C88 H98 Cl N9 O33" 
_pdbx_reference_molecule.formula_weight               1845.213 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "TEICOPLANIN IS A FAMILY OF TETRACYCLIC GLYCOPEPTIDE ANTIBIOTICS. THE SCAFFOLD IS A HEPTAPEPTIDE FURTHER GLYCOSYLATED BY THREE MONO SACCHARIDES: MANNOSE, N-ACETYLGLUCOSAMINE AND BETA-D-GLUCOSAMINE AND ONLY DIFFER BY THE SIDE CHAIN ATTACHED TO THE LATTER. TEICOPLANIN A2-2 HAS 8-METHYLNONANOIC ACID ATTACHED TO GLUCOSAMINE. HERE, TEICOPLANIN A2-2 WAS UNDER RADIATION DAMAGE, WHICH CAUSES THE LOSS OF ONE CHLORINE ATOM." 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3VFJ 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000882 1 1 polymer     "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 7" 
PRD_000882 2 2 non-polymer GCS                                     
PRD_000882 3 3 non-polymer T55                                     
PRD_000882 4 4 non-polymer NAG                                     
PRD_000882 5 5 non-polymer MAN                                     
# 
loop_
_pdbx_reference_entity_nonpoly.prd_id 
_pdbx_reference_entity_nonpoly.ref_entity_id 
_pdbx_reference_entity_nonpoly.name 
_pdbx_reference_entity_nonpoly.chem_comp_id 
_pdbx_reference_entity_nonpoly.details 
PRD_000882 2 D-GLUCOSAMINE           GCS ? 
PRD_000882 3 "8-METHYLNONANOIC ACID" T55 ? 
PRD_000882 4 N-ACETYL-D-GLUCOSAMINE  NAG ? 
PRD_000882 5 ALPHA-D-MANNOSE         MAN ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000882 1 PN 1 4 GHP O4  2 ? GCS C1 sing 1 2 ? ? ? 
PRD_000882 2 PN 1 6 OMX OC  4 ? NAG C1 sing 1 4 ? ? ? 
PRD_000882 3 PN 1 7 3FG OD1 5 ? MAN C1 sing 1 5 ? ? ? 
PRD_000882 4 NN 2 ? GCS N2  3 ? T55 C  sing 2 3 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000882 1 1  C   GHP 1 N   3MY 2 sing 1 ? ? ? 
PRD_000882 1 2  C5  GHP 1 OD1 3FG 3 sing 1 ? ? ? 
PRD_000882 1 3  OBD 3MY 2 C3  GHP 4 sing 1 ? ? ? 
PRD_000882 1 4  C   3MY 2 N   3FG 3 sing 1 ? ? ? 
PRD_000882 1 5  C   3FG 3 N   GHP 4 sing 1 ? ? ? 
PRD_000882 1 6  C   GHP 4 N   GHP 5 sing 1 ? ? ? 
PRD_000882 1 7  C5  GHP 4 OH  OMX 6 sing 1 ? ? ? 
PRD_000882 1 8  C   GHP 5 N   OMX 6 sing 1 ? ? ? 
PRD_000882 1 9  C3  GHP 5 CG1 3FG 7 sing 1 ? ? ? 
PRD_000882 1 10 C   OMX 6 N   3FG 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000882 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000882 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000882 1 1 GHP ?   N Y 
PRD_000882 1 2 3MY TYR N Y 
PRD_000882 1 3 3FG ?   N Y 
PRD_000882 1 4 GHP ?   N Y 
PRD_000882 1 5 GHP ?   N Y 
PRD_000882 1 6 OMX TYR N Y 
PRD_000882 1 7 3FG ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000882 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1867 
_pdbx_reference_entity_src_nat.organism_scientific   "Actinoplanes teichomyceticus" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000882 2012-08-27 RCSB "Create molecule"    
PRD_000882 2013-02-27 RCSB "Other modification" 
PRD_000882 2013-03-06 RCSB "Initial release"    
PRD_000882 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000887
# 
_pdbx_reference_molecule.prd_id                       PRD_000887 
_pdbx_reference_molecule.name                         "(2S)-N-[[2-(AMINOMETHYL)-5-CHLORANYL-PHENYL]METHYL]-1-[(2S)-2-[(3-CHLORANYL-4-METHOXY-PHENYL)SULFONYLAMINO]-4-[(4-CYANOPHENYL)METHYLAMINO]-4-OXIDANYLIDENE-BUTANOYL]PYRROLIDINE-2-CARBOXAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H34 Cl2 N6 O6 S" 
_pdbx_reference_molecule.formula_weight               701.620 
_pdbx_reference_molecule.chem_comp_id                 S33 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3U9A 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000887 
_pdbx_reference_entity_subcomponents.seq            "BSZ AS7 PRO 00T" 
_pdbx_reference_entity_subcomponents.chem_comp_id   S33 
# 
_pdbx_reference_entity_list.prd_id          PRD_000887 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000887 1 1 N AS7 2 S   BSZ 1 sing 1 ? ? ? 
PRD_000887 1 2 C AS7 2 N   PRO 3 sing 1 ? ? ? 
PRD_000887 1 3 C PRO 3 N19 00T 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000887 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000887 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000887 1 1 BSZ ?   N Y 
PRD_000887 1 2 AS7 ASN N Y 
PRD_000887 1 3 PRO PRO N Y 
PRD_000887 1 4 00T ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000887 2012-10-11 PDBJ "Create molecule" 
PRD_000887 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000889
# 
_pdbx_reference_molecule.prd_id                       PRD_000889 
_pdbx_reference_molecule.name                         S-argatroban 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H36 N6 O5 S" 
_pdbx_reference_molecule.formula_weight               508.634 
_pdbx_reference_molecule.chem_comp_id                 15U 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4HFP 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000889 
_pdbx_reference_entity_subcomponents.seq            "15Y ARG MCP" 
_pdbx_reference_entity_subcomponents.chem_comp_id   15U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000889 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000889 1 1 N MCP 3 C ARG 2 sing 1 ? ? ? 
PRD_000889 1 2 N ARG 2 S 15Y 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000889 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000889 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000889 1 1 15Y ? N Y 
PRD_000889 1 2 ARG ? N Y 
PRD_000889 1 3 MCP ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000889 2012-10-16 RCSB "Create molecule" 
PRD_000889 2013-03-13 RCSB "Initial release" 
# 
data_PRD_000892
# 
_pdbx_reference_molecule.prd_id                       PRD_000892 
_pdbx_reference_molecule.name                         "METHYL (2R)-1-[(6S,9S,12S,13S,17S,20S,23R)-9-(3-AMINO-3-OXOPROPYL)-12,23-DIBENZYL-13-HYDROXY-2,2,8,20,22-PENTAMETHYL-17-(2-METHYLPROPYL)-4,7,10,15,18,21,24-HEPTAOXO-6-(PROPAN-2-YL)-3-OXA-5,8,11,16,19,22-HEXAAZATETRACOSAN-24-YL]PYRROLIDINE-2-CARBOXYLATE" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C52 H78 N8 O12" 
_pdbx_reference_molecule.formula_weight               1007.222 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3UQP 
# 
_pdbx_reference_entity_list.prd_id          PRD_000892 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000892 1 1 C BOC 1 N VAL 2 sing 1 ? ? ? 
PRD_000892 1 2 C VAL 2 N GNC 3 sing 1 ? ? ? 
PRD_000892 1 3 C GNC 3 N PSA 4 sing 1 ? ? ? 
PRD_000892 1 4 C PSA 4 N LEU 5 sing 1 ? ? ? 
PRD_000892 1 5 C LEU 5 N ALA 6 sing 1 ? ? ? 
PRD_000892 1 6 C ALA 6 N ZAE 7 sing 1 ? ? ? 
PRD_000892 1 7 C ZAE 7 N PDW 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000892 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000892 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000892 1 1 BOC ?   N Y 
PRD_000892 1 2 VAL VAL N Y 
PRD_000892 1 3 GNC GLN N Y 
PRD_000892 1 4 PSA PHE N Y 
PRD_000892 1 5 LEU LEU N Y 
PRD_000892 1 6 ALA ALA N Y 
PRD_000892 1 7 ZAE ?   N Y 
PRD_000892 1 8 PDW ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000892 2012-10-18 PDBJ "Create molecule"    
PRD_000892 2012-12-12 RCSB "Initial release"    
PRD_000892 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000893
# 
_pdbx_reference_molecule.prd_id                       PRD_000893 
_pdbx_reference_molecule.name                         "METHYL (2S)-1-[(2R,5S,8S,12S,13S)-2,13-DIBENZYL-12-HYDROXY-3,5-DIMETHYL-15-(3-[METHYL(METHYLSULFONYL)AMINO]-5-{[(1R)-1-PHENYLETHYL]CARBAMOYL}PHENYL)-8-(2-METHYLPROPYL)-4,7,10,15-TETRAOXO-3,6,9,14-TETRAAZAPENTADECAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C54 H69 N7 O11 S" 
_pdbx_reference_molecule.formula_weight               1024.231 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3UQR 
# 
_pdbx_reference_entity_list.prd_id          PRD_000893 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000893 1 1 NBR QSC 1 CBX ZSC 2 sing 1 ? ? ? 
PRD_000893 1 2 CBY ZSC 2 N   PSA 3 sing 1 ? ? ? 
PRD_000893 1 3 C   PSA 3 N   LEU 4 sing 1 ? ? ? 
PRD_000893 1 4 C   LEU 4 N   ALA 5 sing 1 ? ? ? 
PRD_000893 1 5 C   ALA 5 N   ZAE 6 sing 1 ? ? ? 
PRD_000893 1 6 C   ZAE 6 N   PLJ 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000893 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000893 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000893 1 1 QSC ?   N Y 
PRD_000893 1 2 ZSC ?   N Y 
PRD_000893 1 3 PSA PHE N Y 
PRD_000893 1 4 LEU LEU N Y 
PRD_000893 1 5 ALA ALA N Y 
PRD_000893 1 6 ZAE ?   N Y 
PRD_000893 1 7 PLJ PRO N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000893 2012-10-22 PDBJ "Create molecule"    
PRD_000893 2012-12-12 RCSB "Initial release"    
PRD_000893 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000894
# 
_pdbx_reference_molecule.prd_id                       PRD_000894 
_pdbx_reference_molecule.name                         MM-102 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H50 F2 N7 O4" 
_pdbx_reference_molecule.formula_weight               670.813 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4GM8 
# 
_pdbx_reference_entity_list.prd_id          PRD_000894 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000894 1 1 C ALQ 1 N   0XL 2 sing 1 ? ? ? 
PRD_000894 1 2 C 0XL 2 N   ARG 3 sing 1 ? ? ? 
PRD_000894 1 3 C ARG 3 N   AC5 4 sing 1 ? ? ? 
PRD_000894 1 4 C AC5 4 NAV 0XN 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000894 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000894 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000894 1 1 ALQ ?   N Y 
PRD_000894 1 2 0XL ?   N Y 
PRD_000894 1 3 ARG ARG N Y 
PRD_000894 1 4 AC5 ?   N Y 
PRD_000894 1 5 0XN ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000894 2012-08-29 RCSB "Create molecule"    
PRD_000894 2013-06-03 RCSB "Other modification" 
PRD_000894 2013-07-31 RCSB "Initial release"    
PRD_000894 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000895
# 
_pdbx_reference_molecule.prd_id                       PRD_000895 
_pdbx_reference_molecule.name                         MM-101 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H52 N7 O4" 
_pdbx_reference_molecule.formula_weight               634.832 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4GM3 
# 
_pdbx_reference_entity_list.prd_id          PRD_000895 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000895 1 1 C ALQ 1 N   0XL 2 sing 1 ? ? ? 
PRD_000895 1 2 C 0XL 2 N   ARG 3 sing 1 ? ? ? 
PRD_000895 1 3 C ARG 3 N   AC5 4 sing 1 ? ? ? 
PRD_000895 1 4 C AC5 4 NAV 0XM 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000895 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000895 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000895 1 1 ALQ ?   N Y 
PRD_000895 1 2 0XL ?   N Y 
PRD_000895 1 3 ARG ARG N Y 
PRD_000895 1 4 AC5 ?   N Y 
PRD_000895 1 5 0XM ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000895 2012-08-29 RCSB "Create molecule"    
PRD_000895 2013-06-03 RCSB "Other modification" 
PRD_000895 2013-07-31 RCSB "Initial release"    
PRD_000895 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000896
# 
_pdbx_reference_molecule.prd_id                       PRD_000896 
_pdbx_reference_molecule.name                         MM-402 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H51 N8 O5" 
_pdbx_reference_molecule.formula_weight               615.787 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4GMB 
# 
_pdbx_reference_entity_list.prd_id          PRD_000896 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000896 1 1 C   ALQ 1 N 0XQ 2 sing 1 ? ? ? 
PRD_000896 1 2 C   0XQ 2 N ARG 3 sing 1 ? ? ? 
PRD_000896 1 3 N02 0XQ 2 C PG9 5 sing 1 ? ? ? 
PRD_000896 1 4 C   ARG 3 N ABA 4 sing 1 ? ? ? 
PRD_000896 1 5 C   ABA 4 N PG9 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000896 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000896 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000896 1 1 ALQ ?   N Y 
PRD_000896 1 2 0XQ ?   N Y 
PRD_000896 1 3 ARG ARG N Y 
PRD_000896 1 4 ABA ALA N Y 
PRD_000896 1 5 PG9 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000896 2012-08-29 RCSB "Create molecule"    
PRD_000896 2013-06-03 RCSB "Other modification" 
PRD_000896 2014-02-19 RCSB "Initial release"    
PRD_000896 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000897
# 
_pdbx_reference_molecule.prd_id                       PRD_000897 
_pdbx_reference_molecule.name                         MM-401 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H47 N8 O5" 
_pdbx_reference_molecule.formula_weight               587.734 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4GM9 
# 
_pdbx_reference_entity_list.prd_id          PRD_000897 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000897 1 1 C   ALQ 1 N 0XO 2 sing 1 ? ? ? 
PRD_000897 1 2 C   0XO 2 N ARG 3 sing 1 ? ? ? 
PRD_000897 1 3 N02 0XO 2 C PG9 5 sing 1 ? ? ? 
PRD_000897 1 4 C   ARG 3 N ABA 4 sing 1 ? ? ? 
PRD_000897 1 5 C   ABA 4 N PG9 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000897 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000897 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000897 1 1 ALQ ?   N Y 
PRD_000897 1 2 0XO ?   N Y 
PRD_000897 1 3 ARG ARG N Y 
PRD_000897 1 4 ABA ALA N Y 
PRD_000897 1 5 PG9 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000897 2012-08-29 RCSB "Create molecule"    
PRD_000897 2013-06-03 RCSB "Other modification" 
PRD_000897 2014-02-19 RCSB "Initial release"    
PRD_000897 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000898
# 
_pdbx_reference_molecule.prd_id                       PRD_000898 
_pdbx_reference_molecule.name                         "METHYL (2S)-1-[(2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-AMINO-3-OXOPROPYL)-2,13-DIBENZYL-12,22-DIHYDROXY-3,5,17-TRIMETHYL-8-(2-METHYLPROPYL)-4,7,10,15,18,21-HEXAOXO-19-(PROPAN-2-YL)-3,6,9,14,17,20-HEXAAZATRICOSAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE (NON-PREFERRED NAME)" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C50 H74 N8 O12" 
_pdbx_reference_molecule.formula_weight               979.169 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4DV9 
# 
_pdbx_reference_entity_list.prd_id          PRD_000898 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000898 1 1 C 2OP 1 N VAL 2 sing 1 ? ? ? 
PRD_000898 1 2 C VAL 2 N GNC 3 sing 1 ? ? ? 
PRD_000898 1 3 C GNC 3 N PSA 4 sing 1 ? ? ? 
PRD_000898 1 4 C PSA 4 N LEU 5 sing 1 ? ? ? 
PRD_000898 1 5 C LEU 5 N ALA 6 sing 1 ? ? ? 
PRD_000898 1 6 C ALA 6 N ZAE 7 sing 1 ? ? ? 
PRD_000898 1 7 C ZAE 7 N PLJ 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000898 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000898 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000898 1 1 2OP ?   N Y 
PRD_000898 1 2 VAL VAL N Y 
PRD_000898 1 3 GNC GLN N Y 
PRD_000898 1 4 PSA PHE N Y 
PRD_000898 1 5 LEU LEU N Y 
PRD_000898 1 6 ALA ALA N Y 
PRD_000898 1 7 ZAE ?   N Y 
PRD_000898 1 8 PLJ PRO N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000898 2012-10-22 PDBJ "Create molecule"    
PRD_000898 2013-01-16 RCSB "Initial release"    
PRD_000898 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000899
# 
_pdbx_reference_molecule.prd_id                       PRD_000899 
_pdbx_reference_molecule.name                         "METHYL (2S)-1-[(2R,5S,8S,12S,13S)-2,13-DIBENZYL-12-HYDROXY-3,5-DIMETHYL-8-(2-METHYLPROPYL)-15-(3-[(METHYLSULFONYL)AMINO]-5-{[(1R)-1-PHENYLETHYL]CARBAMOYL}PHENYL)-4,7,10,15-TETRAOXO-3,6,9,14-TETRAAZAPENTADECAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C53 H67 N7 O11 S" 
_pdbx_reference_molecule.formula_weight               1010.204 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4DVF 
# 
_pdbx_reference_entity_list.prd_id          PRD_000899 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000899 1 1 NBR QSC 1 CBX USC 2 sing 1 ? ? ? 
PRD_000899 1 2 CBY USC 2 N   PSA 3 sing 1 ? ? ? 
PRD_000899 1 3 C   PSA 3 N   LEU 4 sing 1 ? ? ? 
PRD_000899 1 4 C   LEU 4 N   ALA 5 sing 1 ? ? ? 
PRD_000899 1 5 C   ALA 5 N   ZAE 6 sing 1 ? ? ? 
PRD_000899 1 6 C   ZAE 6 N   PLJ 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000899 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000899 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000899 1 1 QSC ?   N Y 
PRD_000899 1 2 USC ?   N Y 
PRD_000899 1 3 PSA PHE N Y 
PRD_000899 1 4 LEU LEU N Y 
PRD_000899 1 5 ALA ALA N Y 
PRD_000899 1 6 ZAE ?   N Y 
PRD_000899 1 7 PLJ PRO N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000899 2012-10-22 PDBJ "Create molecule"    
PRD_000899 2013-01-16 RCSB "Initial release"    
PRD_000899 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000900
# 
_pdbx_reference_molecule.prd_id                       PRD_000900 
_pdbx_reference_molecule.name                         "N-(BENZYLSULFONYL)-D-LEUCYL-N-(4-CARBAMIMIDOYLBENZYL)-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H35 N5 O4 S" 
_pdbx_reference_molecule.formula_weight               513.652 
_pdbx_reference_molecule.chem_comp_id                 TIF 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3UWJ 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000900 
_pdbx_reference_entity_subcomponents.seq            "PMS DLE PRO 00S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   TIF 
# 
_pdbx_reference_entity_list.prd_id          PRD_000900 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000900 1 1 S PMS 1 N   DLE 2 sing 1 ? ? ? 
PRD_000900 1 2 C DLE 2 N   PRO 3 sing 1 ? ? ? 
PRD_000900 1 3 C PRO 3 N23 00S 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000900 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000900 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000900 1 1 PMS ?   N Y 
PRD_000900 1 2 DLE ?   N Y 
PRD_000900 1 3 PRO PRO N Y 
PRD_000900 1 4 00S ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000900 2012-10-22 PDBJ "Create molecule" 
PRD_000900 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000901
# 
_pdbx_reference_molecule.prd_id                       PRD_000901 
_pdbx_reference_molecule.name                         "thiomuracin A derivative" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C53 H54 N13 O9 S6" 
_pdbx_reference_molecule.formula_weight               1209.468 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4G5G 
# 
_pdbx_reference_entity_list.prd_id          PRD_000901 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000901 1 1  CA SER 1  C  BB9 10 sing 1 ? ? ? 
PRD_000901 1 2  C  SER 1  N  BB9 2  sing 1 ? ? ? 
PRD_000901 1 3  C  SER 1  SG BB9 2  sing 1 ? ? ? 
PRD_000901 1 4  CB SER 1  CB MH6 11 sing 1 ? ? ? 
PRD_000901 1 5  C  BB9 2  N  ASN 3  sing 1 ? ? ? 
PRD_000901 1 6  C  ASN 3  N  BB6 4  sing 1 ? ? ? 
PRD_000901 1 7  C  ASN 3  SG BB6 4  sing 1 ? ? ? 
PRD_000901 1 8  C  BB6 4  N  H14 5  sing 1 ? ? ? 
PRD_000901 1 9  C  H14 5  SG BB9 6  sing 1 ? ? ? 
PRD_000901 1 10 C  H14 5  N  BB9 6  sing 1 ? ? ? 
PRD_000901 1 11 C  BB9 6  N  TYR 7  sing 1 ? ? ? 
PRD_000901 1 12 C  TYR 7  N  05N 8  sing 1 ? ? ? 
PRD_000901 1 13 C  05N 8  N  BB9 9  sing 1 ? ? ? 
PRD_000901 1 14 C  05N 8  SG BB9 9  sing 1 ? ? ? 
PRD_000901 1 15 C  BB9 9  N  BB9 10 sing 1 ? ? ? 
PRD_000901 1 16 C  BB9 9  SG BB9 10 sing 1 ? ? ? 
PRD_000901 1 17 C  BB9 10 N  MH6 11 sing 1 ? ? ? 
PRD_000901 1 18 C  MH6 11 N  BB9 12 sing 1 ? ? ? 
PRD_000901 1 19 C  MH6 11 SG BB9 12 sing 1 ? ? ? 
PRD_000901 1 20 C  BB9 12 N  NH2 13 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000901 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000901 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000901 1 1  SER SER N Y 
PRD_000901 1 2  BB9 CYS N Y 
PRD_000901 1 3  ASN ASN N Y 
PRD_000901 1 4  BB6 CYS N Y 
PRD_000901 1 5  H14 PHE N Y 
PRD_000901 1 6  BB9 CYS N Y 
PRD_000901 1 7  TYR TYR N Y 
PRD_000901 1 8  05N PRO N Y 
PRD_000901 1 9  BB9 CYS N Y 
PRD_000901 1 10 BB9 CYS N Y 
PRD_000901 1 11 MH6 SER N Y 
PRD_000901 1 12 BB9 CYS N Y 
PRD_000901 1 13 NH2 ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000901 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 32630 
_pdbx_reference_entity_src_nat.organism_scientific   "synthetic construct" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000901 2012-10-26 RCSB "Create molecule"    
PRD_000901 2012-12-16 RCSB "Modify sequence"    
PRD_000901 2012-12-26 RCSB "Initial release"    
PRD_000901 2013-06-03 RCSB "Other modification" 
PRD_000901 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000902
# 
_pdbx_reference_molecule.prd_id                       PRD_000902 
_pdbx_reference_molecule.name                         "N-HEXANOYL-L-VALYL-N~1~-[(3S,4S)-3-HYDROXY-2,6-DIMETHYLHEPT-1-EN-4-YL]-N~5~,N~5~-DIMETHYL-L-GLUTAMAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H50 N4 O5" 
_pdbx_reference_molecule.formula_weight               510.710 
_pdbx_reference_molecule.chem_comp_id                 ONK 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "vinylketone carmaphycin analogue VNK1, single bound form" 
_pdbx_reference_molecule.representative_PDB_id_code   4HNP 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000902 
_pdbx_reference_entity_subcomponents.seq            "6NA VAL QMM 17U" 
_pdbx_reference_entity_subcomponents.chem_comp_id   ONK 
# 
_pdbx_reference_entity_list.prd_id          PRD_000902 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000902 1 1 C 6NA 1 N  VAL 2 sing 1 ? ? ? 
PRD_000902 1 2 C VAL 2 N  QMM 3 sing 1 ? ? ? 
PRD_000902 1 3 C QMM 3 N3 17U 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000902 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000902 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000902 1 1 6NA ?   N Y 
PRD_000902 1 2 VAL VAL N Y 
PRD_000902 1 3 QMM GLN N Y 
PRD_000902 1 4 17U ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000902 2012-11-01 RCSB "Create molecule"    
PRD_000902 2014-01-29 RCSB "Initial release"    
PRD_000902 2017-05-04 RCSB "Other modification" 
# 
data_PRD_000903
# 
_pdbx_reference_molecule.prd_id                       PRD_000903 
_pdbx_reference_molecule.name                         "(2R)-2,4-DIHYDROXY-3,3-DIMETHYL-N-{3-OXO-3-[(PYRIDIN-3-YLMETHYL)AMINO]PROPYL}BUTANAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Non-polymer 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Antibiotic, Antimicrobial" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C15 H23 N3 O4" 
_pdbx_reference_molecule.formula_weight               309.361 
_pdbx_reference_molecule.chem_comp_id                 0JR 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4GI7 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000903 
_pdbx_reference_entity_subcomponents.seq            "PAF BAL 0YC" 
_pdbx_reference_entity_subcomponents.chem_comp_id   0JR 
# 
_pdbx_reference_entity_list.prd_id          PRD_000903 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000903 1 1 C1 PAF 1 N   BAL 2 sing 1 ? ? ? 
PRD_000903 1 2 C  BAL 2 N16 0YC 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000903 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000903 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000903 1 1 PAF ? N Y 
PRD_000903 1 2 BAL ? N Y 
PRD_000903 1 3 0YC ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000903 2013-02-28 RCSB "Create molecule" 
PRD_000903 2013-04-10 RCSB "Initial release" 
# 
data_PRD_000904
# 
_pdbx_reference_molecule.prd_id                       PRD_000904 
_pdbx_reference_molecule.name                         "N-HEXANOYL-L-VALYL-N~1~-[(3S,4S)-3-HYDROXY-2,6-DIMETHYLHEPTAN-4-YL]-N~5~,N~5~-DIMETHYL-L-GLUTAMAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H52 N4 O5" 
_pdbx_reference_molecule.formula_weight               512.726 
_pdbx_reference_molecule.chem_comp_id                 VNK 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "vinylketone carmaphycin analogue VNK1, double bound form" 
_pdbx_reference_molecule.representative_PDB_id_code   4HNP 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000904 
_pdbx_reference_entity_subcomponents.seq            "6NA VAL QMM 05U" 
_pdbx_reference_entity_subcomponents.chem_comp_id   VNK 
# 
_pdbx_reference_entity_list.prd_id          PRD_000904 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000904 1 1 N3 05U 4 C QMM 3 sing 1 ? ? ? 
PRD_000904 1 2 N  QMM 3 C VAL 2 sing 1 ? ? ? 
PRD_000904 1 3 N  VAL 2 C 6NA 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000904 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000904 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000904 1 1 6NA ?   N Y 
PRD_000904 1 2 VAL VAL N Y 
PRD_000904 1 3 QMM GLN N Y 
PRD_000904 1 4 05U ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000904 2012-11-01 RCSB "Create molecule"    
PRD_000904 2014-01-29 RCSB "Initial release"    
PRD_000904 2017-05-04 RCSB "Other modification" 
# 
data_PRD_000907
# 
_pdbx_reference_molecule.prd_id                       PRD_000907 
_pdbx_reference_molecule.name                         "N-[(BENZYLOXY)CARBONYL]-L-LEUCYL-N-[(2S)-4-METHYL-1-OXOPENTAN-2-YL]-L-LEUCINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H41 N3 O5" 
_pdbx_reference_molecule.formula_weight               475.621 
_pdbx_reference_molecule.chem_comp_id                 LDZ 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3VL0 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000907 
_pdbx_reference_entity_subcomponents.seq            "PHQ LEU LEU LCZ" 
_pdbx_reference_entity_subcomponents.chem_comp_id   LDZ 
# 
_pdbx_reference_entity_list.prd_id          PRD_000907 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000907 1 1 C14 PHQ 1 N LEU 2 sing 1 ? ? ? 
PRD_000907 1 2 C   LEU 2 N LEU 3 sing 1 ? ? ? 
PRD_000907 1 3 C   LEU 3 N LCZ 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000907 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000907 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000907 1 1 PHQ ?   N Y 
PRD_000907 1 2 LEU LEU N Y 
PRD_000907 1 3 LEU LEU N Y 
PRD_000907 1 4 LCZ ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000907 2012-11-07 PDBJ "Create molecule" 
PRD_000907 2013-04-10 RCSB "Initial release" 
# 
data_PRD_000908
# 
_pdbx_reference_molecule.prd_id                       PRD_000908 
_pdbx_reference_molecule.name                         "N-(3-CARBOXYPROPANOYL)-L-VALYL-N-[(1S)-2-PHENYL-1-PHOSPHONOETHYL]-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H32 N3 O8 P" 
_pdbx_reference_molecule.formula_weight               497.479 
_pdbx_reference_molecule.chem_comp_id                 VPF 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3UFA 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000908 
_pdbx_reference_entity_subcomponents.seq            "SIN VAL PRO XPH" 
_pdbx_reference_entity_subcomponents.chem_comp_id   VPF 
# 
_pdbx_reference_entity_list.prd_id          PRD_000908 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000908 1 1 C4 SIN 1 N VAL 2 sing 1 ? ? ? 
PRD_000908 1 2 C  VAL 2 N PRO 3 sing 1 ? ? ? 
PRD_000908 1 3 C  PRO 3 N XPH 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000908 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000908 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000908 1 1 SIN ?   N Y 
PRD_000908 1 2 VAL VAL N Y 
PRD_000908 1 3 PRO PRO N Y 
PRD_000908 1 4 XPH ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000908 2012-11-07 PDBJ "Create molecule" 
PRD_000908 2013-01-23 RCSB "Initial release" 
# 
data_PRD_000909
# 
_pdbx_reference_molecule.prd_id                       PRD_000909 
_pdbx_reference_molecule.name                         "N-[(BENZYLOXY)CARBONYL]-L-LEUCYL-N-[(1R)-1-(DIHYDROXYBORANYL)-3-METHYLBUTYL]-L-LEUCINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H42 B N3 O6" 
_pdbx_reference_molecule.formula_weight               491.428 
_pdbx_reference_molecule.chem_comp_id                 CIX 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4FWH 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000909 
_pdbx_reference_entity_subcomponents.seq            "PHQ LEU LEU BLE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   CIX 
# 
_pdbx_reference_entity_list.prd_id          PRD_000909 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000909 1 1 N BLE 4 C   LEU 3 sing 1 ? ? ? 
PRD_000909 1 2 C LEU 2 N   LEU 3 sing 1 ? ? ? 
PRD_000909 1 3 N LEU 2 C14 PHQ 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000909 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000909 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000909 1 1 PHQ ?   N Y 
PRD_000909 1 2 LEU LEU N Y 
PRD_000909 1 3 LEU LEU N Y 
PRD_000909 1 4 BLE LEU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000909 2012-11-11 PDBJ "Create molecule" 
PRD_000909 2013-06-26 RCSB "Initial release" 
# 
data_PRD_000910
# 
_pdbx_reference_molecule.prd_id                       PRD_000910 
_pdbx_reference_molecule.name                         "B4Z inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H44 N6 O6" 
_pdbx_reference_molecule.formula_weight               512.643 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3VB4 
# 
_pdbx_reference_entity_list.prd_id          PRD_000910 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000910 1 1 C BOC 1 N ALA 2 sing 1 ? ? ? 
PRD_000910 1 2 C ALA 2 N VAL 3 sing 1 ? ? ? 
PRD_000910 1 3 C VAL 3 N LEU 4 sing 1 ? ? ? 
PRD_000910 1 4 C LEU 4 N 0JU 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000910 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000910 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000910 1 1 BOC ?   N Y 
PRD_000910 1 2 ALA ALA N Y 
PRD_000910 1 3 VAL VAL N Y 
PRD_000910 1 4 LEU LEU N Y 
PRD_000910 1 5 0JU ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000910 2012-11-12 PDBJ "Create molecule"    
PRD_000910 2012-12-12 RCSB "Initial release"    
PRD_000910 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000911
# 
_pdbx_reference_molecule.prd_id                       PRD_000911 
_pdbx_reference_molecule.name                         "C4Z inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H42 N6 O6" 
_pdbx_reference_molecule.formula_weight               546.659 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3VB5 
# 
_pdbx_reference_entity_list.prd_id          PRD_000911 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000911 1 1 C1 PHQ 1 N ALA 2 sing 1 ? ? ? 
PRD_000911 1 2 C  ALA 2 N VAL 3 sing 1 ? ? ? 
PRD_000911 1 3 C  VAL 3 N LEU 4 sing 1 ? ? ? 
PRD_000911 1 4 C  LEU 4 N 0JU 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000911 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000911 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000911 1 1 PHQ ?   N Y 
PRD_000911 1 2 ALA ALA N Y 
PRD_000911 1 3 VAL VAL N Y 
PRD_000911 1 4 LEU LEU N Y 
PRD_000911 1 5 0JU ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000911 2012-11-12 PDBJ "Create molecule"    
PRD_000911 2012-12-12 RCSB "Initial release"    
PRD_000911 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000912
# 
_pdbx_reference_molecule.prd_id                       PRD_000912 
_pdbx_reference_molecule.name                         "C6Z inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C34 H54 N8 O10" 
_pdbx_reference_molecule.formula_weight               734.840 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3VB6 
# 
_pdbx_reference_entity_list.prd_id          PRD_000912 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000912 1 1 C1 PHQ 1 N THR 2 sing 1 ? ? ? 
PRD_000912 1 2 C  THR 2 N SER 3 sing 1 ? ? ? 
PRD_000912 1 3 C  SER 3 N ALA 4 sing 1 ? ? ? 
PRD_000912 1 4 C  ALA 4 N VAL 5 sing 1 ? ? ? 
PRD_000912 1 5 C  VAL 5 N LEU 6 sing 1 ? ? ? 
PRD_000912 1 6 C  LEU 6 N 0JU 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000912 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000912 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000912 1 1 PHQ ?   N N 
PRD_000912 1 2 THR THR N N 
PRD_000912 1 3 SER SER N N 
PRD_000912 1 4 ALA ALA N Y 
PRD_000912 1 5 VAL VAL N Y 
PRD_000912 1 6 LEU LEU N Y 
PRD_000912 1 7 0JU ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000912 2012-11-12 PDBJ "Create molecule"    
PRD_000912 2012-12-12 RCSB "Initial release"    
PRD_000912 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000913
# 
_pdbx_reference_molecule.prd_id                       PRD_000913 
_pdbx_reference_molecule.name                         "M4Z inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H39 N7 O6" 
_pdbx_reference_molecule.formula_weight               521.610 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3VB7 
# 
_pdbx_reference_entity_list.prd_id          PRD_000913 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000913 1 1 C 02J 1 N ALA 2 sing 1 ? ? ? 
PRD_000913 1 2 C ALA 2 N VAL 3 sing 1 ? ? ? 
PRD_000913 1 3 C VAL 3 N LEU 4 sing 1 ? ? ? 
PRD_000913 1 4 C LEU 4 N 0JU 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000913 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000913 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000913 1 1 02J ?   N N 
PRD_000913 1 2 ALA ALA N Y 
PRD_000913 1 3 VAL VAL N Y 
PRD_000913 1 4 LEU LEU N Y 
PRD_000913 1 5 0JU ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000913 2012-11-12 PDBJ "Create molecule"    
PRD_000913 2012-12-12 RCSB "Initial release"    
PRD_000913 2013-06-03 RCSB "Other modification" 
PRD_000913 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000915
# 
_pdbx_reference_molecule.prd_id                       PRD_000915 
_pdbx_reference_molecule.name                         "BENZYL [(2S)-1-({(2R)-1-[(1S,2S)-2-{[(2R,3S,4S)-3-FORMYL-2-HYDROXY-4-METHYLHEXANOYL]AMINO}CYCLOPROPYL]-4-PHENYLBUTAN-2-YL}AMINO)-1-OXOPROPAN-2-YL]CARBAMATE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H43 N3 O6" 
_pdbx_reference_molecule.formula_weight               565.700 
_pdbx_reference_molecule.chem_comp_id                 1KR 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4J70 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000915 
_pdbx_reference_entity_subcomponents.seq            "PHQ ALA 1K7 1K6" 
_pdbx_reference_entity_subcomponents.chem_comp_id   1KR 
# 
_pdbx_reference_entity_list.prd_id          PRD_000915 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000915 1 1 C16 PHQ 1 N   ALA 2 sing 1 ? ? ? 
PRD_000915 1 2 C   ALA 2 N10 1K7 3 sing 1 ? ? ? 
PRD_000915 1 3 N29 1K7 3 C30 1K6 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000915 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000915 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000915 1 1 PHQ ?   N Y 
PRD_000915 1 2 ALA ALA N Y 
PRD_000915 1 3 1K7 ?   N Y 
PRD_000915 1 4 1K6 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000915 2013-03-12 RCSB "Create molecule" 
PRD_000915 2013-04-17 RCSB "Initial release" 
# 
data_PRD_000919
# 
_pdbx_reference_molecule.prd_id                       PRD_000919 
_pdbx_reference_molecule.name                         "3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-L-ALANINE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C19 H37 N5 O5" 
_pdbx_reference_molecule.formula_weight               415.528 
_pdbx_reference_molecule.chem_comp_id                 INN 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3L0T 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000919 
_pdbx_reference_entity_subcomponents.seq            "2HM TBG ALA EDN" 
_pdbx_reference_entity_subcomponents.chem_comp_id   INN 
# 
_pdbx_reference_entity_list.prd_id          PRD_000919 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000919 1 1 N   TBG 2 C 2HM 1 sing 1 ? ? ? 
PRD_000919 1 2 NAD EDN 4 C ALA 3 sing 1 ? ? ? 
PRD_000919 1 3 C   TBG 2 N ALA 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000919 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000919 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000919 1 1 2HM ? N Y 
PRD_000919 1 2 TBG ? N Y 
PRD_000919 1 3 ALA ? N Y 
PRD_000919 1 4 EDN ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000919 2012-09-10 RCSB "Create molecule" 
PRD_000919 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000920
# 
_pdbx_reference_molecule.prd_id                       PRD_000920 
_pdbx_reference_molecule.name                         "SAMAROSPORIN I" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptaibol 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C77 H120 N16 O19" 
_pdbx_reference_molecule.formula_weight               1573.872 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4G13 
# 
_pdbx_reference_entity_list.prd_id          PRD_000920 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000920 1 1  C ACE 1  N PHE 2  sing 1 ? ? ? 
PRD_000920 1 2  C PHE 2  N AIB 3  sing 1 ? ? ? 
PRD_000920 1 3  C AIB 3  N AIB 4  sing 1 ? ? ? 
PRD_000920 1 4  C AIB 4  N AIB 5  sing 1 ? ? ? 
PRD_000920 1 5  C AIB 5  N VAL 6  sing 1 ? ? ? 
PRD_000920 1 6  C VAL 6  N GLY 7  sing 1 ? ? ? 
PRD_000920 1 7  C GLY 7  N LEU 8  sing 1 ? ? ? 
PRD_000920 1 8  C LEU 8  N AIB 9  sing 1 ? ? ? 
PRD_000920 1 9  C AIB 9  N AIB 10 sing 1 ? ? ? 
PRD_000920 1 10 C AIB 10 N HYP 11 sing 1 ? ? ? 
PRD_000920 1 11 C HYP 11 N GLN 12 sing 1 ? ? ? 
PRD_000920 1 12 C GLN 12 N DIV 13 sing 1 ? ? ? 
PRD_000920 1 13 C DIV 13 N HYP 14 sing 1 ? ? ? 
PRD_000920 1 14 C HYP 14 N AIB 15 sing 1 ? ? ? 
PRD_000920 1 15 C AIB 15 N PHL 16 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000920 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00986 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000920 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000920 1 1  ACE ?   N Y 
PRD_000920 1 2  PHE PHE N Y 
PRD_000920 1 3  AIB ALA N Y 
PRD_000920 1 4  AIB ALA N Y 
PRD_000920 1 5  AIB ALA N Y 
PRD_000920 1 6  VAL VAL N Y 
PRD_000920 1 7  GLY GLY N Y 
PRD_000920 1 8  LEU LEU N Y 
PRD_000920 1 9  AIB ALA N Y 
PRD_000920 1 10 AIB ALA N Y 
PRD_000920 1 11 HYP PRO N Y 
PRD_000920 1 12 GLN GLN N Y 
PRD_000920 1 13 DIV ?   N Y 
PRD_000920 1 14 HYP PRO N Y 
PRD_000920 1 15 AIB ALA N Y 
PRD_000920 1 16 PHL PHE N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000920 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 ? 
_pdbx_reference_entity_src_nat.organism_scientific   "samarospora rostrup" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000920 2012-11-27 RCSB "Create molecule"    
PRD_000920 2012-12-19 RCSB "Other modification" 
PRD_000920 2012-12-12 RCSB "Initial release"    
# 
data_PRD_000921
# 
_pdbx_reference_molecule.prd_id                       PRD_000921 
_pdbx_reference_molecule.name                         "Noxa BH3 peptide (cysteine-mediated cross-linked)" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Anticancer 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C106 H179 N33 O25 S2" 
_pdbx_reference_molecule.formula_weight               2379.892 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4G35 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000921 1 1 polymer     "Peptide residues 2-20, acetylation at the N-terminus and amidation at the C-terminus" 
PRD_000921 2 2 non-polymer "4BP, cross-linking two residues in the peptide"                                       
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000921 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "4,4'-bis(bromomethyl)biphenyl" 
_pdbx_reference_entity_nonpoly.chem_comp_id    4BP 
_pdbx_reference_entity_nonpoly.details         ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000921 1 PN 1 4  DCY SG 2 ? 4BP C01 sing 1 2 ? ? ? 
PRD_000921 2 PN 1 11 CYS SG 2 ? 4BP C12 sing 1 2 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000921 1 1  C ACE 1  N ALA 2  sing 1 ? ? ? 
PRD_000921 1 2  C ALA 2  N ALA 3  sing 1 ? ? ? 
PRD_000921 1 3  C ALA 3  N DCY 4  sing 1 ? ? ? 
PRD_000921 1 4  C DCY 4  N LEU 5  sing 1 ? ? ? 
PRD_000921 1 5  C LEU 5  N ARG 6  sing 1 ? ? ? 
PRD_000921 1 6  C ARG 6  N ARG 7  sing 1 ? ? ? 
PRD_000921 1 7  C ARG 7  N ILE 8  sing 1 ? ? ? 
PRD_000921 1 8  C ILE 8  N GLY 9  sing 1 ? ? ? 
PRD_000921 1 9  C GLY 9  N ASP 10 sing 1 ? ? ? 
PRD_000921 1 10 C ASP 10 N CYS 11 sing 1 ? ? ? 
PRD_000921 1 11 C CYS 11 N VAL 12 sing 1 ? ? ? 
PRD_000921 1 12 C VAL 12 N ASN 13 sing 1 ? ? ? 
PRD_000921 1 13 C ASN 13 N LEU 14 sing 1 ? ? ? 
PRD_000921 1 14 C LEU 14 N ARG 15 sing 1 ? ? ? 
PRD_000921 1 15 C ARG 15 N GLN 16 sing 1 ? ? ? 
PRD_000921 1 16 C GLN 16 N LYS 17 sing 1 ? ? ? 
PRD_000921 1 17 C LYS 17 N LEU 18 sing 1 ? ? ? 
PRD_000921 1 18 C LEU 18 N LEU 19 sing 1 ? ? ? 
PRD_000921 1 19 C LEU 19 N ASN 20 sing 1 ? ? ? 
PRD_000921 1 20 C ASN 20 N NH2 21 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000921 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000921 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000921 1 1  ACE ?   N Y 
PRD_000921 1 2  ALA ALA N Y 
PRD_000921 1 3  ALA ALA N Y 
PRD_000921 1 4  DCY ?   N Y 
PRD_000921 1 5  LEU LEU N Y 
PRD_000921 1 6  ARG ARG N Y 
PRD_000921 1 7  ARG ARG N Y 
PRD_000921 1 8  ILE ILE N Y 
PRD_000921 1 9  GLY GLY N Y 
PRD_000921 1 10 ASP ASP N Y 
PRD_000921 1 11 CYS CYS N Y 
PRD_000921 1 12 VAL VAL N Y 
PRD_000921 1 13 ASN ASN N Y 
PRD_000921 1 14 LEU LEU N Y 
PRD_000921 1 15 ARG ARG N Y 
PRD_000921 1 16 GLN GLN N Y 
PRD_000921 1 17 LYS LYS N Y 
PRD_000921 1 18 LEU LEU N Y 
PRD_000921 1 19 LEU LEU N Y 
PRD_000921 1 20 ASN ASN N Y 
PRD_000921 1 21 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000921 2012-11-28 RCSB "Create molecule"    
PRD_000921 2012-12-12 RCSB "Initial release"    
PRD_000921 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000922
# 
_pdbx_reference_molecule.prd_id                       PRD_000922 
_pdbx_reference_molecule.name                         PL-42 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C39 H63 N9 O14 P S" 
_pdbx_reference_molecule.formula_weight               945.008 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4HY2 
# 
_pdbx_reference_entity_list.prd_id          PRD_000922 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000922 1 1 C 1C3 1 N LEU 2 sing 1 ? ? ? 
PRD_000922 1 2 C LEU 2 N HIS 3 sing 1 ? ? ? 
PRD_000922 1 3 C HIS 3 N SER 4 sing 1 ? ? ? 
PRD_000922 1 4 C SER 4 N TPO 5 sing 1 ? ? ? 
PRD_000922 1 5 C TPO 5 N MET 6 sing 1 ? ? ? 
PRD_000922 1 6 C MET 6 N NH2 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000922 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000922 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000922 1 1 1C3 PRO N Y 
PRD_000922 1 2 LEU LEU N Y 
PRD_000922 1 3 HIS HIS N Y 
PRD_000922 1 4 SER SER N Y 
PRD_000922 1 5 TPO THR N Y 
PRD_000922 1 6 MET MET N Y 
PRD_000922 1 7 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000922 2012-11-30 RCSB "Create molecule"    
PRD_000922 2013-04-03 RCSB "Initial release"    
PRD_000922 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000924
# 
_pdbx_reference_molecule.prd_id                       PRD_000924 
_pdbx_reference_molecule.name                         Ac-Asp-Glu-Val-Akz-CMK 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H33 Cl N4 O11" 
_pdbx_reference_molecule.formula_weight               552.960 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4JR0 
# 
_pdbx_reference_entity_list.prd_id          PRD_000924 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000924 1 1 C ACE 1 N  ASP 2 sing 1 ? ? ? 
PRD_000924 1 2 C ASP 2 N  GLU 3 sing 1 ? ? ? 
PRD_000924 1 3 C GLU 3 N  VAL 4 sing 1 ? ? ? 
PRD_000924 1 4 C VAL 4 N  AKZ 5 sing 1 ? ? ? 
PRD_000924 1 5 C AKZ 5 C1 0QE 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000924 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000924 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000924 1 1 ACE ?   N Y 
PRD_000924 1 2 ASP ASP N Y 
PRD_000924 1 3 GLU GLU N Y 
PRD_000924 1 4 VAL VAL N Y 
PRD_000924 1 5 AKZ ASP N Y 
PRD_000924 1 6 0QE ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000924 2013-03-27 RCSB "Create molecule"    
PRD_000924 2013-05-08 RCSB "Initial release"    
PRD_000924 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000925
# 
_pdbx_reference_molecule.prd_id                       PRD_000925 
_pdbx_reference_molecule.name                         ACE-1MH-ASP-B3L-HLX-1U8 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "CASPASE inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C42 H58 N6 O12" 
_pdbx_reference_molecule.formula_weight               838.943 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4JJE 
# 
_pdbx_reference_entity_list.prd_id          PRD_000925 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000925 1 1 C ACE 1 N 1MH 2 sing 1 ? ? ? 
PRD_000925 1 2 C 1MH 2 N ASP 3 sing 1 ? ? ? 
PRD_000925 1 3 C ASP 3 N B3L 4 sing 1 ? ? ? 
PRD_000925 1 4 C B3L 4 N HLX 5 sing 1 ? ? ? 
PRD_000925 1 5 C HLX 5 N 1U8 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000925 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000925 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000925 1 1 ACE ?   N Y 
PRD_000925 1 2 1MH ?   N Y 
PRD_000925 1 3 ASP ASP N Y 
PRD_000925 1 4 B3L ?   N Y 
PRD_000925 1 5 HLX ?   N Y 
PRD_000925 1 6 1U8 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000925 2013-03-28 RCSB "Create molecule"    
PRD_000925 2013-03-28 RCSB "Other modification" 
PRD_000925 2013-04-01 RCSB "Other modification" 
PRD_000925 2013-06-03 RCSB "Other modification" 
PRD_000925 2013-06-12 RCSB "Initial release"    
# 
data_PRD_000926
# 
_pdbx_reference_molecule.prd_id                       PRD_000926 
_pdbx_reference_molecule.name                         "bicyclic peptide UK18-D-Ser" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C78 H124 N27 O25 S3" 
_pdbx_reference_molecule.formula_weight               1936.180 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4JK5 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000926 1 1 polymer     ?   
PRD_000926 2 2 non-polymer ZBR 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000926 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "1,3,5-tris(bromomethyl)benzene" 
_pdbx_reference_entity_nonpoly.chem_comp_id    ZBR 
_pdbx_reference_entity_nonpoly.details         ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000926 1 PN 1 2  CYS SG 2 ? ZBR C8 sing 1 2 ? ? ? 
PRD_000926 2 PN 1 9  CYS SG 2 ? ZBR C7 sing 1 2 ? ? ? 
PRD_000926 3 PN 1 16 CYS SG 2 ? ZBR C9 sing 1 2 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000926 1 1  C ALA 1  N CYS 2  sing 1 ? ? ? 
PRD_000926 1 2  C CYS 2  N SER 3  sing 1 ? ? ? 
PRD_000926 1 3  C SER 3  N ARG 4  sing 1 ? ? ? 
PRD_000926 1 4  C ARG 4  N TYR 5  sing 1 ? ? ? 
PRD_000926 1 5  C TYR 5  N GLU 6  sing 1 ? ? ? 
PRD_000926 1 6  C GLU 6  N VAL 7  sing 1 ? ? ? 
PRD_000926 1 7  C VAL 7  N ASP 8  sing 1 ? ? ? 
PRD_000926 1 8  C ASP 8  N CYS 9  sing 1 ? ? ? 
PRD_000926 1 9  C CYS 9  N ARG 10 sing 1 ? ? ? 
PRD_000926 1 10 C ARG 10 N GLY 11 sing 1 ? ? ? 
PRD_000926 1 11 C GLY 11 N ARG 12 sing 1 ? ? ? 
PRD_000926 1 12 C ARG 12 N DSN 13 sing 1 ? ? ? 
PRD_000926 1 13 C DSN 13 N SER 14 sing 1 ? ? ? 
PRD_000926 1 14 C SER 14 N ALA 15 sing 1 ? ? ? 
PRD_000926 1 15 C ALA 15 N CYS 16 sing 1 ? ? ? 
PRD_000926 1 16 C CYS 16 N GLY 17 sing 1 ? ? ? 
PRD_000926 1 17 C GLY 17 N NH2 18 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000926 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000926 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000926 1 1  ALA ALA N Y 
PRD_000926 1 2  CYS CYS N Y 
PRD_000926 1 3  SER SER N Y 
PRD_000926 1 4  ARG ARG N Y 
PRD_000926 1 5  TYR TYR N Y 
PRD_000926 1 6  GLU GLU N Y 
PRD_000926 1 7  VAL VAL N Y 
PRD_000926 1 8  ASP ASP N Y 
PRD_000926 1 9  CYS CYS N Y 
PRD_000926 1 10 ARG ARG N Y 
PRD_000926 1 11 GLY GLY N Y 
PRD_000926 1 12 ARG ARG N Y 
PRD_000926 1 13 DSN ?   N Y 
PRD_000926 1 14 SER SER N Y 
PRD_000926 1 15 ALA ALA N Y 
PRD_000926 1 16 CYS CYS N Y 
PRD_000926 1 17 GLY GLY N Y 
PRD_000926 1 18 NH2 ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000926 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 32630 
_pdbx_reference_entity_src_nat.organism_scientific   "Synthetic construct" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000926 2013-04-02 RCSB "Create molecule"    
PRD_000926 2013-06-03 RCSB "Other modification" 
PRD_000926 2013-07-17 RCSB "Initial release"    
# 
data_PRD_000927
# 
_pdbx_reference_molecule.prd_id                       PRD_000927 
_pdbx_reference_molecule.name                         "bicyclic peptide UK18-D-Aba inhibitor of uPA" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C79 H126 N27 O24 S3" 
_pdbx_reference_molecule.formula_weight               1934.207 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4JK6 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000927 1 1 polymer     ?   
PRD_000927 2 2 non-polymer ZBR 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000927 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "1,3,5-tris(bromomethyl)benzene" 
_pdbx_reference_entity_nonpoly.chem_comp_id    ZBR 
_pdbx_reference_entity_nonpoly.details         ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000927 1 PN 1 2  CYS SG 2 ? ZBR C8 sing 1 2 ? ? ? 
PRD_000927 2 PN 1 9  CYS SG 2 ? ZBR C7 sing 1 2 ? ? ? 
PRD_000927 3 PN 1 16 CYS SG 2 ? ZBR C9 sing 1 2 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000927 1 1  C ALA 1  N CYS 2  sing 1 ? ? ? 
PRD_000927 1 2  C CYS 2  N SER 3  sing 1 ? ? ? 
PRD_000927 1 3  C SER 3  N ARG 4  sing 1 ? ? ? 
PRD_000927 1 4  C ARG 4  N TYR 5  sing 1 ? ? ? 
PRD_000927 1 5  C TYR 5  N GLU 6  sing 1 ? ? ? 
PRD_000927 1 6  C GLU 6  N VAL 7  sing 1 ? ? ? 
PRD_000927 1 7  C VAL 7  N ASP 8  sing 1 ? ? ? 
PRD_000927 1 8  C ASP 8  N CYS 9  sing 1 ? ? ? 
PRD_000927 1 9  C CYS 9  N ARG 10 sing 1 ? ? ? 
PRD_000927 1 10 C ARG 10 N GLY 11 sing 1 ? ? ? 
PRD_000927 1 11 C GLY 11 N ARG 12 sing 1 ? ? ? 
PRD_000927 1 12 C ARG 12 N DBB 13 sing 1 ? ? ? 
PRD_000927 1 13 C DBB 13 N SER 14 sing 1 ? ? ? 
PRD_000927 1 14 C SER 14 N ALA 15 sing 1 ? ? ? 
PRD_000927 1 15 C ALA 15 N CYS 16 sing 1 ? ? ? 
PRD_000927 1 16 C CYS 16 N GLY 17 sing 1 ? ? ? 
PRD_000927 1 17 C GLY 17 N NH2 18 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000927 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000927 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000927 1 1  ALA ALA N Y 
PRD_000927 1 2  CYS CYS N Y 
PRD_000927 1 3  SER SER N Y 
PRD_000927 1 4  ARG ARG N Y 
PRD_000927 1 5  TYR TYR N Y 
PRD_000927 1 6  GLU GLU N Y 
PRD_000927 1 7  VAL VAL N Y 
PRD_000927 1 8  ASP ASP N Y 
PRD_000927 1 9  CYS CYS N Y 
PRD_000927 1 10 ARG ARG N Y 
PRD_000927 1 11 GLY GLY N Y 
PRD_000927 1 12 ARG ARG N Y 
PRD_000927 1 13 DBB ?   N Y 
PRD_000927 1 14 SER SER N Y 
PRD_000927 1 15 ALA ALA N Y 
PRD_000927 1 16 CYS CYS N Y 
PRD_000927 1 17 GLY GLY N Y 
PRD_000927 1 18 NH2 ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000927 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 32630 
_pdbx_reference_entity_src_nat.organism_scientific   "Synthetic construct" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000927 2013-04-02 RCSB "Create molecule"    
PRD_000927 2013-06-03 RCSB "Other modification" 
PRD_000927 2013-07-17 RCSB "Initial release"    
# 
data_PRD_000929
# 
_pdbx_reference_molecule.prd_id                       PRD_000929 
_pdbx_reference_molecule.name                         "N-acetyl-L-valyl-L-alpha-glutamyl-N-[(2S)-1-carboxy-3-hydroxypropan-2-yl]-L-isoleucinamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H38 N4 O9" 
_pdbx_reference_molecule.formula_weight               502.559 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3P4U 
# 
_pdbx_reference_entity_list.prd_id          PRD_000929 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "inhibitor AC-VEID-CHO" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000929 1 1 C ACE 1 N VAL 2 sing 1 ? ? ? 
PRD_000929 1 2 C VAL 2 N GLU 3 sing 1 ? ? ? 
PRD_000929 1 3 C GLU 3 N ILE 4 sing 1 ? ? ? 
PRD_000929 1 4 C ILE 4 N ASJ 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000929 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000929 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000929 1 1 ACE ? N Y 
PRD_000929 1 2 VAL ? N Y 
PRD_000929 1 3 GLU ? N Y 
PRD_000929 1 4 ILE ? N Y 
PRD_000929 1 5 ASJ ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000929 2012-09-10 RCSB "Create molecule"    
PRD_000929 2013-06-03 RCSB "Other modification" 
PRD_000929 2015-12-02 RCSB "Initial release"    
# 
data_PRD_000930
# 
_pdbx_reference_molecule.prd_id                       PRD_000930 
_pdbx_reference_molecule.name                         "N-HEXANOYL-L-VALYL-N~1~-[(2R,3S,4S)-1,3-DIHYDROXY-2,6-DIMETHYLHEPTAN-4-YL]-N~5~,N~5~-DIMETHYL-L-GLUTAMAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H52 N4 O6" 
_pdbx_reference_molecule.formula_weight               528.725 
_pdbx_reference_molecule.chem_comp_id                 OV2 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "epoxyketone carmaphycin analogue 3, bound form" 
_pdbx_reference_molecule.representative_PDB_id_code   4HRC 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000930 
_pdbx_reference_entity_subcomponents.seq            "6NA VAL QMM 04D" 
_pdbx_reference_entity_subcomponents.chem_comp_id   OV2 
# 
_pdbx_reference_entity_list.prd_id          PRD_000930 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000930 1 1 C 6NA 1 N VAL 2 sing 1 ? ? ? 
PRD_000930 1 2 C VAL 2 N QMM 3 sing 1 ? ? ? 
PRD_000930 1 3 C QMM 3 N 04D 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000930 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000930 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000930 1 1 6NA ?   N Y 
PRD_000930 1 2 VAL VAL N Y 
PRD_000930 1 3 QMM GLN N Y 
PRD_000930 1 4 04D ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000930 2012-12-11 RCSB "Create molecule"    
PRD_000930 2014-01-29 RCSB "Initial release"    
PRD_000930 2017-05-04 RCSB "Other modification" 
PRD_000930 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000935
# 
_pdbx_reference_molecule.prd_id                       PRD_000935 
_pdbx_reference_molecule.name                         "N-[(benzyloxy)carbonyl]-6-diazonio-5-oxo-L-norleucyl-L-valyl-L-prolyl-L-leucine" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H43 N6 O8" 
_pdbx_reference_molecule.formula_weight               615.698 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3S3J 
# 
_pdbx_reference_entity_list.prd_id          PRD_000935 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000935 1 1 C1 PHQ 1 N 02Y 2 sing 1 ? ? ? 
PRD_000935 1 2 C  02Y 2 N VAL 3 sing 1 ? ? ? 
PRD_000935 1 3 C  VAL 3 N PRO 4 sing 1 ? ? ? 
PRD_000935 1 4 C  PRO 4 N LEU 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000935 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000935 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000935 1 1 PHQ ? N Y 
PRD_000935 1 2 02Y ? N Y 
PRD_000935 1 3 VAL ? N Y 
PRD_000935 1 4 PRO ? N Y 
PRD_000935 1 5 LEU ? N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000935 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 32630 
_pdbx_reference_entity_src_nat.organism_scientific   "synthetic construct" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000935 2012-09-10 RCSB "Create molecule"    
PRD_000935 2013-06-03 RCSB "Other modification" 
PRD_000935 2013-06-26 RCSB "Initial release"    
PRD_000935 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000937
# 
_pdbx_reference_molecule.prd_id                       PRD_000937 
_pdbx_reference_molecule.name                         "N-[(2R)-2-{[(benzyloxy)carbonyl]amino}-7-ethoxy-7-oxoheptanoyl]-L-valyl-L-prolyl-L-leucine" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C33 H50 N4 O9" 
_pdbx_reference_molecule.formula_weight               646.771 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3S3S 
# 
_pdbx_reference_entity_list.prd_id          PRD_000937 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000937 1 1 C1 PHQ 1 N XW1 2 sing 1 ? ? ? 
PRD_000937 1 2 C  XW1 2 N VAL 3 sing 1 ? ? ? 
PRD_000937 1 3 C  VAL 3 N PRO 4 sing 1 ? ? ? 
PRD_000937 1 4 C  PRO 4 N LEU 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000937 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000937 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000937 1 1 PHQ ? N Y 
PRD_000937 1 2 XW1 ? N Y 
PRD_000937 1 3 VAL ? N Y 
PRD_000937 1 4 PRO ? N Y 
PRD_000937 1 5 LEU ? N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000937 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 32630 
_pdbx_reference_entity_src_nat.organism_scientific   "synthetic construct" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000937 2012-09-10 RCSB "Create molecule"    
PRD_000937 2012-12-12 RCSB "Initial release"    
PRD_000937 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000939
# 
_pdbx_reference_molecule.prd_id                       PRD_000939 
_pdbx_reference_molecule.name                         "modified protein phyllopod peptide BI-117E1" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C70 H131 N23 O16 S" 
_pdbx_reference_molecule.formula_weight               1582.999 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4I7B 
# 
_pdbx_reference_entity_list.prd_id          PRD_000939 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000939 1 1  C ACE 1  N LYS 2  sing 1 ? ? ? 
PRD_000939 1 2  C LYS 2  N LEU 3  sing 1 ? ? ? 
PRD_000939 1 3  C LEU 3  N ARG 4  sing 1 ? ? ? 
PRD_000939 1 4  C ARG 4  N PRO 5  sing 1 ? ? ? 
PRD_000939 1 5  C PRO 5  N VAL 6  sing 1 ? ? ? 
PRD_000939 1 6  C VAL 6  N ABA 7  sing 1 ? ? ? 
PRD_000939 1 7  C ABA 7  N MET 8  sing 1 ? ? ? 
PRD_000939 1 8  C MET 8  N VAL 9  sing 1 ? ? ? 
PRD_000939 1 9  C VAL 9  N ARG 10 sing 1 ? ? ? 
PRD_000939 1 10 C ARG 10 N PRO 11 sing 1 ? ? ? 
PRD_000939 1 11 C PRO 11 N THR 12 sing 1 ? ? ? 
PRD_000939 1 12 C THR 12 N VAL 13 sing 1 ? ? ? 
PRD_000939 1 13 C VAL 13 N ARG 14 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000939 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         Q27934 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000939 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000939 1 1  ACE ?   N N 
PRD_000939 1 2  LYS LYS N N 
PRD_000939 1 3  LEU LEU N Y 
PRD_000939 1 4  ARG ARG N Y 
PRD_000939 1 5  PRO PRO N Y 
PRD_000939 1 6  VAL VAL N Y 
PRD_000939 1 7  ABA ALA N Y 
PRD_000939 1 8  MET MET N Y 
PRD_000939 1 9  VAL VAL N Y 
PRD_000939 1 10 ARG ARG N Y 
PRD_000939 1 11 PRO PRO N Y 
PRD_000939 1 12 THR THR N Y 
PRD_000939 1 13 VAL VAL N Y 
PRD_000939 1 14 ARG ARG N N 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000939 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 7227 
_pdbx_reference_entity_src_nat.organism_scientific   "Drosophila melanogaster" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000939 2012-12-18 RCSB "Create molecule" 
PRD_000939 2013-01-14 RCSB "Modify sequence" 
PRD_000939 2013-08-14 RCSB "Initial release" 
# 
data_PRD_000940
# 
_pdbx_reference_molecule.prd_id                       PRD_000940 
_pdbx_reference_molecule.name                         "D-phenylalanyl-L-prolyl-N~5~-[amino(iminio)methyl]-D-ornithyl-D-threoninamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H39 N8 O5" 
_pdbx_reference_molecule.formula_weight               519.617 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3U8O 
# 
_pdbx_reference_entity_list.prd_id          PRD_000940 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000940 1 1 C DPN 1 N PRO 2 sing 1 ? ? ? 
PRD_000940 1 2 C PRO 2 N DAR 3 sing 1 ? ? ? 
PRD_000940 1 3 C DAR 3 N DTH 4 sing 1 ? ? ? 
PRD_000940 1 4 C DTH 4 N NH2 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000940 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000940 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000940 1 1 DPN ?   N Y 
PRD_000940 1 2 PRO PRO N Y 
PRD_000940 1 3 DAR ?   N Y 
PRD_000940 1 4 DTH ?   N Y 
PRD_000940 1 5 NH2 ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000940 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 32630 
_pdbx_reference_entity_src_nat.organism_scientific   "synthetic construct" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000940 2012-09-10 RCSB "Create molecule"    
PRD_000940 2013-04-11 RCSB "Other modification" 
PRD_000940 2013-04-17 RCSB "Initial release"    
PRD_000940 2013-05-29 RCSB "Modify class"       
PRD_000940 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000941
# 
_pdbx_reference_molecule.prd_id                       PRD_000941 
_pdbx_reference_molecule.name                         "[Aba5,14]BTD-2" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antimicrobial 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C80 H150 N36 O18 S4" 
_pdbx_reference_molecule.formula_weight               2032.537 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2M1P 
# 
_pdbx_reference_entity_list.prd_id          PRD_000941 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000941 1 1  N  GLY 1  C  ARG 18 sing 1 ? ? ? 
PRD_000941 1 2  C  GLY 1  N  VAL 2  sing 1 ? ? ? 
PRD_000941 1 3  C  VAL 2  N  CYS 3  sing 1 ? ? ? 
PRD_000941 1 4  C  CYS 3  N  ARG 4  sing 1 ? ? ? 
PRD_000941 1 5  SG CYS 3  SG CYS 16 sing 1 ? ? ? 
PRD_000941 1 6  C  ARG 4  N  ABA 5  sing 1 ? ? ? 
PRD_000941 1 7  C  ABA 5  N  VAL 6  sing 1 ? ? ? 
PRD_000941 1 8  C  VAL 6  N  CYS 7  sing 1 ? ? ? 
PRD_000941 1 9  C  CYS 7  N  ARG 8  sing 1 ? ? ? 
PRD_000941 1 10 SG CYS 7  SG CYS 12 sing 1 ? ? ? 
PRD_000941 1 11 C  ARG 8  N  ARG 9  sing 1 ? ? ? 
PRD_000941 1 12 C  ARG 9  N  GLY 10 sing 1 ? ? ? 
PRD_000941 1 13 C  GLY 10 N  VAL 11 sing 1 ? ? ? 
PRD_000941 1 14 C  VAL 11 N  CYS 12 sing 1 ? ? ? 
PRD_000941 1 15 C  CYS 12 N  ARG 13 sing 1 ? ? ? 
PRD_000941 1 16 C  ARG 13 N  ABA 14 sing 1 ? ? ? 
PRD_000941 1 17 C  ABA 14 N  VAL 15 sing 1 ? ? ? 
PRD_000941 1 18 C  VAL 15 N  CYS 16 sing 1 ? ? ? 
PRD_000941 1 19 C  CYS 16 N  ARG 17 sing 1 ? ? ? 
PRD_000941 1 20 C  ARG 17 N  ARG 18 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000941 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000941 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000941 1 1  GLY GLY N Y 
PRD_000941 1 2  VAL VAL N Y 
PRD_000941 1 3  CYS CYS N Y 
PRD_000941 1 4  ARG ARG N Y 
PRD_000941 1 5  ABA ALA N Y 
PRD_000941 1 6  VAL VAL N Y 
PRD_000941 1 7  CYS CYS N Y 
PRD_000941 1 8  ARG ARG N Y 
PRD_000941 1 9  ARG ARG N Y 
PRD_000941 1 10 GLY GLY N Y 
PRD_000941 1 11 VAL VAL N Y 
PRD_000941 1 12 CYS CYS N Y 
PRD_000941 1 13 ARG ARG N Y 
PRD_000941 1 14 ABA ALA N Y 
PRD_000941 1 15 VAL VAL N Y 
PRD_000941 1 16 CYS CYS N Y 
PRD_000941 1 17 ARG ARG N Y 
PRD_000941 1 18 ARG ARG N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000941 2012-12-18 RCSB "Create molecule"    
PRD_000941 2013-02-27 RCSB "Initial release"    
PRD_000941 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000942
# 
_pdbx_reference_molecule.prd_id                       PRD_000942 
_pdbx_reference_molecule.name                         "modified protein phyllopod peptide BI-117C3" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C79 H137 N25 O16 S" 
_pdbx_reference_molecule.formula_weight               1725.156 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4I7C 
# 
_pdbx_reference_entity_list.prd_id          PRD_000942 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000942 1 1  C ACE 1  N LYS 2  sing 1 ? ? ? 
PRD_000942 1 2  C LYS 2  N LEU 3  sing 1 ? ? ? 
PRD_000942 1 3  C LEU 3  N ARG 4  sing 1 ? ? ? 
PRD_000942 1 4  C ARG 4  N PRO 5  sing 1 ? ? ? 
PRD_000942 1 5  C PRO 5  N VAL 6  sing 1 ? ? ? 
PRD_000942 1 6  C VAL 6  N 23P 7  sing 1 ? ? ? 
PRD_000942 1 7  C 23P 7  N MET 8  sing 1 ? ? ? 
PRD_000942 1 8  C MET 8  N VAL 9  sing 1 ? ? ? 
PRD_000942 1 9  C VAL 9  N ARG 10 sing 1 ? ? ? 
PRD_000942 1 10 C ARG 10 N PRO 11 sing 1 ? ? ? 
PRD_000942 1 11 C PRO 11 N TRP 12 sing 1 ? ? ? 
PRD_000942 1 12 C TRP 12 N VAL 13 sing 1 ? ? ? 
PRD_000942 1 13 C VAL 13 N ARG 14 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000942 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         Q27934 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000942 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000942 1 1  ACE ?   N N 
PRD_000942 1 2  LYS LYS N Y 
PRD_000942 1 3  LEU LEU N Y 
PRD_000942 1 4  ARG ARG N Y 
PRD_000942 1 5  PRO PRO N Y 
PRD_000942 1 6  VAL VAL N Y 
PRD_000942 1 7  23P ALA N Y 
PRD_000942 1 8  MET MET N Y 
PRD_000942 1 9  VAL VAL N Y 
PRD_000942 1 10 ARG ARG N Y 
PRD_000942 1 11 PRO PRO N Y 
PRD_000942 1 12 TRP TRP N Y 
PRD_000942 1 13 VAL VAL N Y 
PRD_000942 1 14 ARG ARG N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000942 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 7227 
_pdbx_reference_entity_src_nat.organism_scientific   "Drosophila melanogaster" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000942 2012-12-18 RCSB "Create molecule" 
PRD_000942 2013-01-14 RCSB "Modify sequence" 
PRD_000942 2013-08-14 RCSB "Initial release" 
# 
data_PRD_000943
# 
_pdbx_reference_molecule.prd_id                       PRD_000943 
_pdbx_reference_molecule.name                         "modified protein phyllopod peptide BI-117F7" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C74 H138 N24 O16 S" 
_pdbx_reference_molecule.formula_weight               1652.104 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4I7D 
# 
_pdbx_reference_entity_list.prd_id          PRD_000943 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000943 1 1  C ACE 1  N LYS 2  sing 1 ? ? ? 
PRD_000943 1 2  C LYS 2  N LEU 3  sing 1 ? ? ? 
PRD_000943 1 3  C LEU 3  N ARG 4  sing 1 ? ? ? 
PRD_000943 1 4  C ARG 4  N PRO 5  sing 1 ? ? ? 
PRD_000943 1 5  C PRO 5  N VAL 6  sing 1 ? ? ? 
PRD_000943 1 6  C VAL 6  N ALA 7  sing 1 ? ? ? 
PRD_000943 1 7  C ALA 7  N MET 8  sing 1 ? ? ? 
PRD_000943 1 8  C MET 8  N VAL 9  sing 1 ? ? ? 
PRD_000943 1 9  C VAL 9  N ARG 10 sing 1 ? ? ? 
PRD_000943 1 10 C ARG 10 N PRO 11 sing 1 ? ? ? 
PRD_000943 1 11 C PRO 11 N PRK 12 sing 1 ? ? ? 
PRD_000943 1 12 C PRK 12 N VAL 13 sing 1 ? ? ? 
PRD_000943 1 13 C VAL 13 N ARG 14 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000943 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         Q27934 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000943 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000943 1 1  ACE ?   N Y 
PRD_000943 1 2  LYS LYS N Y 
PRD_000943 1 3  LEU LEU N Y 
PRD_000943 1 4  ARG ARG N Y 
PRD_000943 1 5  PRO PRO N Y 
PRD_000943 1 6  VAL VAL N Y 
PRD_000943 1 7  ALA ALA N Y 
PRD_000943 1 8  MET MET N Y 
PRD_000943 1 9  VAL VAL N Y 
PRD_000943 1 10 ARG ARG N Y 
PRD_000943 1 11 PRO PRO N Y 
PRD_000943 1 12 PRK LYS N Y 
PRD_000943 1 13 VAL VAL N Y 
PRD_000943 1 14 ARG ARG N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000943 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 7227 
_pdbx_reference_entity_src_nat.organism_scientific   "Drosophila melanogaster" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000943 2012-12-18 RCSB "Create molecule" 
PRD_000943 2013-08-14 RCSB "Initial release" 
# 
data_PRD_000944
# 
_pdbx_reference_molecule.prd_id                       PRD_000944 
_pdbx_reference_molecule.name                         "N-{(2S)-1-[(2-CHLOROBENZYL)AMINO]-1-OXO-4-PHENYLBUTAN-2-YL}-N~2~-[3-(2-METHYLPHENYL)PROPANOYL]-L-THREONINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H36 Cl N3 O4" 
_pdbx_reference_molecule.formula_weight               550.088 
_pdbx_reference_molecule.chem_comp_id                 OEU 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3OEU 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000944 
_pdbx_reference_entity_subcomponents.seq            "02Q THR HPE 02R" 
_pdbx_reference_entity_subcomponents.chem_comp_id   OEU 
# 
_pdbx_reference_entity_list.prd_id          PRD_000944 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000944 1 1 N30 02R 4 C   HPE 3 sing 1 ? ? ? 
PRD_000944 1 2 N   THR 2 C28 02Q 1 sing 1 ? ? ? 
PRD_000944 1 3 N   HPE 3 C   THR 2 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000944 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000944 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000944 1 1 02Q ? N Y 
PRD_000944 1 2 THR ? N Y 
PRD_000944 1 3 HPE ? N Y 
PRD_000944 1 4 02R ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000944 2012-09-10 RCSB "Create molecule" 
PRD_000944 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000946
# 
_pdbx_reference_molecule.prd_id                       PRD_000946 
_pdbx_reference_molecule.name                         "N~2~-ACETYL-N-[(2S,3R)-4-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]-L-ISOLEUCINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H42 N4 O5 S2" 
_pdbx_reference_molecule.formula_weight               602.808 
_pdbx_reference_molecule.chem_comp_id                 23X 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "SYNTHETIC HIV-1 PROTEASE INHIBITOR" 
_pdbx_reference_molecule.representative_PDB_id_code   3SA3 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000946 
_pdbx_reference_entity_subcomponents.seq            "ACE ILE FI0 B6S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   23X 
# 
_pdbx_reference_entity_list.prd_id          PRD_000946 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000946 1 1 S8  B6S 4 N11 FI0 3 sing 1 ? ? ? 
PRD_000946 1 2 N20 FI0 3 C   ILE 2 sing 1 ? ? ? 
PRD_000946 1 3 C   ACE 1 N   ILE 2 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000946 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000946 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000946 1 1 ACE ? N Y 
PRD_000946 1 2 ILE ? N Y 
PRD_000946 1 3 FI0 ? N Y 
PRD_000946 1 4 B6S ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000946 2012-09-11 RCSB "Create molecule"    
PRD_000946 2012-09-12 RCSB "Other modification" 
PRD_000946 2012-12-12 RCSB "Initial release"    
# 
data_PRD_000947
# 
_pdbx_reference_molecule.prd_id                       PRD_000947 
_pdbx_reference_molecule.name                         "N-{(2S,3R)-4-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(CYCLOHEXYLMETHYL)AMINO]-3-HYDROXY-1-PHENYLBUTAN-2-YL}-3-HYDROXYBENZAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H35 N3 O5 S2" 
_pdbx_reference_molecule.formula_weight               593.757 
_pdbx_reference_molecule.chem_comp_id                 F72 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "SYNTHETIC HIV-1 PROTEASE INHIBITOR" 
_pdbx_reference_molecule.representative_PDB_id_code   3SA4 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000947 
_pdbx_reference_entity_subcomponents.seq            "3HB FCH B6S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   F72 
# 
_pdbx_reference_entity_list.prd_id          PRD_000947 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000947 1 1 S8  B6S 3 N11   FCH 2 sing 1 ? ? ? 
PRD_000947 1 2 N20 FCH 2 "C1'" 3HB 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000947 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000947 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000947 1 1 3HB ? N Y 
PRD_000947 1 2 FCH ? N Y 
PRD_000947 1 3 B6S ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000947 2012-09-11 RCSB "Create molecule"    
PRD_000947 2012-09-12 RCSB "Other modification" 
PRD_000947 2012-12-12 RCSB "Initial release"    
# 
data_PRD_000948
# 
_pdbx_reference_molecule.prd_id                       PRD_000948 
_pdbx_reference_molecule.name                         "N-{(2S,3R)-4-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(3-PHENYLPROPYL)AMINO]-3-HYDROXY-1-PHENYLBUTAN-2-YL}-3-HYDROXYBENZAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C33 H33 N3 O5 S2" 
_pdbx_reference_molecule.formula_weight               615.762 
_pdbx_reference_molecule.chem_comp_id                 A69 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "SYNTHETIC HIV-1 PROTEASE INHIBITOR" 
_pdbx_reference_molecule.representative_PDB_id_code   3SA5 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000948 
_pdbx_reference_entity_subcomponents.seq            "3HB FF0 B6S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   A69 
# 
_pdbx_reference_entity_list.prd_id          PRD_000948 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000948 1 1 S8  B6S 3 N11   FF0 2 sing 1 ? ? ? 
PRD_000948 1 2 N20 FF0 2 "C1'" 3HB 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000948 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000948 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000948 1 1 3HB ? N Y 
PRD_000948 1 2 FF0 ? N Y 
PRD_000948 1 3 B6S ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000948 2012-09-11 RCSB "Create molecule"    
PRD_000948 2012-09-12 RCSB "Other modification" 
PRD_000948 2012-12-12 RCSB "Initial release"    
# 
data_PRD_000949
# 
_pdbx_reference_molecule.prd_id                       PRD_000949 
_pdbx_reference_molecule.name                         "3-HYDROXY-N-[(2S,3R)-3-HYDROXY-4-([(2S)-2-METHYLBUTYL]{[5-(1,2-OXAZOL-5-YL)THIOPHEN-2-YL]SULFONYL}AMINO)-1-PHENYLBUTAN-2-YL]BENZAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H33 N3 O6 S2" 
_pdbx_reference_molecule.formula_weight               583.719 
_pdbx_reference_molecule.chem_comp_id                 F71 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "SYNTHETIC HIV-1 PROTEASE INHIBITOR" 
_pdbx_reference_molecule.representative_PDB_id_code   3SA6 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000949 
_pdbx_reference_entity_subcomponents.seq            "3HB FI0 5TS" 
_pdbx_reference_entity_subcomponents.chem_comp_id   F71 
# 
_pdbx_reference_entity_list.prd_id          PRD_000949 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000949 1 1 S8  5TS 3 N11   FI0 2 sing 1 ? ? ? 
PRD_000949 1 2 N20 FI0 2 "C1'" 3HB 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000949 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000949 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000949 1 1 3HB ? N Y 
PRD_000949 1 2 FI0 ? N Y 
PRD_000949 1 3 5TS ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000949 2012-09-11 RCSB "Create molecule"    
PRD_000949 2012-09-12 RCSB "Other modification" 
PRD_000949 2012-12-12 RCSB "Initial release"    
# 
data_PRD_000950
# 
_pdbx_reference_molecule.prd_id                       PRD_000950 
_pdbx_reference_molecule.name                         "N~2~-ACETYL-N-[(2S,3R)-4-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]-L-LEUCINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H42 N4 O5 S2" 
_pdbx_reference_molecule.formula_weight               602.808 
_pdbx_reference_molecule.chem_comp_id                 55A 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "SYNTHETIC HIV-1 PROTEASE INHIBITOR" 
_pdbx_reference_molecule.representative_PDB_id_code   3SA7 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000950 
_pdbx_reference_entity_subcomponents.seq            "ACE LEU FI0 B6S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   55A 
# 
_pdbx_reference_entity_list.prd_id          PRD_000950 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000950 1 1 S8  B6S 4 N11 FI0 3 sing 1 ? ? ? 
PRD_000950 1 2 N20 FI0 3 C   LEU 2 sing 1 ? ? ? 
PRD_000950 1 3 C   ACE 1 N   LEU 2 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000950 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000950 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000950 1 1 ACE ? N Y 
PRD_000950 1 2 LEU ? N Y 
PRD_000950 1 3 FI0 ? N Y 
PRD_000950 1 4 B6S ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000950 2012-09-11 RCSB "Create molecule"    
PRD_000950 2012-09-12 RCSB "Other modification" 
PRD_000950 2012-12-12 RCSB "Initial release"    
# 
data_PRD_000951
# 
_pdbx_reference_molecule.prd_id                       PRD_000951 
_pdbx_reference_molecule.name                         "3-HYDROXY-N-[(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]BENZAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H34 N2 O6 S" 
_pdbx_reference_molecule.formula_weight               526.644 
_pdbx_reference_molecule.chem_comp_id                 K83 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "SYNTHETIC HIV-1 PROTEASE INHIBITOR" 
_pdbx_reference_molecule.representative_PDB_id_code   3SA8 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000951 
_pdbx_reference_entity_subcomponents.seq            "3HB FV0 4OS" 
_pdbx_reference_entity_subcomponents.chem_comp_id   K83 
# 
_pdbx_reference_entity_list.prd_id          PRD_000951 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000951 1 1 S   4OS 3 N11   FV0 2 sing 1 ? ? ? 
PRD_000951 1 2 N20 FV0 2 "C1'" 3HB 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000951 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000951 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000951 1 1 3HB ? N Y 
PRD_000951 1 2 FV0 ? N Y 
PRD_000951 1 3 4OS ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000951 2012-09-11 RCSB "Create molecule"    
PRD_000951 2012-09-12 RCSB "Other modification" 
PRD_000951 2012-12-12 RCSB "Initial release"    
# 
data_PRD_000952
# 
_pdbx_reference_molecule.prd_id                       PRD_000952 
_pdbx_reference_molecule.name                         "N~2~-ACETYL-N-[(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]-L-ISOLEUCINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H43 N3 O6 S" 
_pdbx_reference_molecule.formula_weight               561.733 
_pdbx_reference_molecule.chem_comp_id                 A68 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "SYNTHETIC HIV-1 PROTEASE INHIBITOR" 
_pdbx_reference_molecule.representative_PDB_id_code   3SA9 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000952 
_pdbx_reference_entity_subcomponents.seq            "ACE ILE FV0 4OS" 
_pdbx_reference_entity_subcomponents.chem_comp_id   A68 
# 
_pdbx_reference_entity_list.prd_id          PRD_000952 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000952 1 1 S   4OS 4 N11 FV0 3 sing 1 ? ? ? 
PRD_000952 1 2 N20 FV0 3 C   ILE 2 sing 1 ? ? ? 
PRD_000952 1 3 C   ACE 1 N   ILE 2 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000952 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000952 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000952 1 1 ACE ? N Y 
PRD_000952 1 2 ILE ? N Y 
PRD_000952 1 3 FV0 ? N Y 
PRD_000952 1 4 4OS ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000952 2012-09-11 RCSB "Create molecule"    
PRD_000952 2012-09-12 RCSB "Other modification" 
PRD_000952 2012-12-12 RCSB "Initial release"    
# 
data_PRD_000953
# 
_pdbx_reference_molecule.prd_id                       PRD_000953 
_pdbx_reference_molecule.name                         "N-[(2S,3R)-4-{(CYCLOHEXYLMETHYL)[(4-METHOXYPHENYL)SULFONYL]AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]-3-HYDROXYBENZAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H38 N2 O6 S" 
_pdbx_reference_molecule.formula_weight               566.708 
_pdbx_reference_molecule.chem_comp_id                 77F 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "SYNTHETIC HIV-1 PROTEASE INHIBITOR" 
_pdbx_reference_molecule.representative_PDB_id_code   3SAA 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000953 
_pdbx_reference_entity_subcomponents.seq            "3HB FCH 4OS" 
_pdbx_reference_entity_subcomponents.chem_comp_id   77F 
# 
_pdbx_reference_entity_list.prd_id          PRD_000953 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000953 1 1 S   4OS 3 N11   FCH 2 sing 1 ? ? ? 
PRD_000953 1 2 N20 FCH 2 "C1'" 3HB 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000953 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000953 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000953 1 1 3HB ? N Y 
PRD_000953 1 2 FCH ? N Y 
PRD_000953 1 3 4OS ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000953 2012-09-11 RCSB "Create molecule"    
PRD_000953 2012-09-12 RCSB "Other modification" 
PRD_000953 2012-12-12 RCSB "Initial release"    
# 
data_PRD_000954
# 
_pdbx_reference_molecule.prd_id                       PRD_000954 
_pdbx_reference_molecule.name                         "3-HYDROXY-N-[(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](3-PHENYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]BENZAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C33 H36 N2 O6 S" 
_pdbx_reference_molecule.formula_weight               588.714 
_pdbx_reference_molecule.chem_comp_id                 F78 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "SYNTHETIC HIV-1 PROTEASE INHIBITOR" 
_pdbx_reference_molecule.representative_PDB_id_code   3SAB 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000954 
_pdbx_reference_entity_subcomponents.seq            "3HB FF0 4OS" 
_pdbx_reference_entity_subcomponents.chem_comp_id   F78 
# 
_pdbx_reference_entity_list.prd_id          PRD_000954 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000954 1 1 S   4OS 3 N11   FF0 2 sing 1 ? ? ? 
PRD_000954 1 2 N20 FF0 2 "C1'" 3HB 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000954 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000954 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000954 1 1 3HB ? N Y 
PRD_000954 1 2 FF0 ? N Y 
PRD_000954 1 3 4OS ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000954 2012-09-11 RCSB "Create molecule"    
PRD_000954 2012-09-12 RCSB "Other modification" 
PRD_000954 2012-12-12 RCSB "Initial release"    
# 
data_PRD_000955
# 
_pdbx_reference_molecule.prd_id                       PRD_000955 
_pdbx_reference_molecule.name                         "3-HYDROXY-N-{(2S,3R)-3-HYDROXY-4-[(2-METHYLPROPYL){[5-(1,2-OXAZOL-5-YL)THIOPHEN-2-YL]SULFONYL}AMINO]-1-PHENYLBUTAN-2-YL}BENZAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H31 N3 O6 S2" 
_pdbx_reference_molecule.formula_weight               569.692 
_pdbx_reference_molecule.chem_comp_id                 AF8 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "SYNTHETIC HIV-1 PROTEASE INHIBITOR" 
_pdbx_reference_molecule.representative_PDB_id_code   3SAC 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000955 
_pdbx_reference_entity_subcomponents.seq            "3HB FV0 5TS" 
_pdbx_reference_entity_subcomponents.chem_comp_id   AF8 
# 
_pdbx_reference_entity_list.prd_id          PRD_000955 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000955 1 1 S8  5TS 3 N11   FV0 2 sing 1 ? ? ? 
PRD_000955 1 2 N20 FV0 2 "C1'" 3HB 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000955 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000955 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000955 1 1 3HB ? N Y 
PRD_000955 1 2 FV0 ? N Y 
PRD_000955 1 3 5TS ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000955 2012-09-11 RCSB "Create molecule"    
PRD_000955 2012-09-12 RCSB "Other modification" 
PRD_000955 2012-12-12 RCSB "Initial release"    
# 
data_PRD_000956
# 
_pdbx_reference_molecule.prd_id                       PRD_000956 
_pdbx_reference_molecule.name                         "N-[(2S)-1-({(2S)-1-{[(2R,3S,4S)-1,3-DIHYDROXY-2,6-DIMETHYLHEPTAN-4-YL]AMINO}-4-[(R)-METHYLSULFINYL]-1-OXOBUTAN-2-YL}AMINO)-3-METHYL-1-OXOBUTAN-2-YL]HEXANAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H49 N3 O6 S" 
_pdbx_reference_molecule.formula_weight               519.738 
_pdbx_reference_molecule.chem_comp_id                 OV1 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "Carmaphycin A, bound form" 
_pdbx_reference_molecule.representative_PDB_id_code   4HRD 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000956 
_pdbx_reference_entity_subcomponents.seq            "6NA VAL SME 04D" 
_pdbx_reference_entity_subcomponents.chem_comp_id   OV1 
# 
_pdbx_reference_entity_list.prd_id          PRD_000956 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000956 1 1 C 6NA 1 N VAL 2 sing 1 ? ? ? 
PRD_000956 1 2 C VAL 2 N SME 3 sing 1 ? ? ? 
PRD_000956 1 3 C SME 3 N 04D 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000956 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000956 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000956 1 1 6NA ?   N Y 
PRD_000956 1 2 VAL VAL N Y 
PRD_000956 1 3 SME MET N Y 
PRD_000956 1 4 04D ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000956 2012-12-18 RCSB "Create molecule"    
PRD_000956 2014-01-29 RCSB "Initial release"    
PRD_000956 2017-05-04 RCSB "Other modification" 
PRD_000956 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000958
# 
_pdbx_reference_molecule.prd_id                       PRD_000958 
_pdbx_reference_molecule.name                         "TERT-BUTYL [(1S)-1-{[(1R,2S,5S)-2-({[(1S)-3-AMINO-1-(CYCLOPROPYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-3-YL]CARBONYL}-2,2-DIMETHYLPROPYL]CARBAMATE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H44 N4 O6" 
_pdbx_reference_molecule.formula_weight               508.651 
_pdbx_reference_molecule.chem_comp_id                 HUD 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2OBO 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000958 
_pdbx_reference_entity_subcomponents.seq            "BOC TBG 12L 1E1" 
_pdbx_reference_entity_subcomponents.chem_comp_id   HUD 
# 
_pdbx_reference_entity_list.prd_id          PRD_000958 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000958 1 1 C   BOC 1 N   TBG 2 sing 1 ? ? ? 
PRD_000958 1 2 C   TBG 2 N19 12L 3 sing 1 ? ? ? 
PRD_000958 1 3 C27 12L 3 N26 1E1 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000958 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000958 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000958 1 1 BOC ?   N Y 
PRD_000958 1 2 TBG VAL N Y 
PRD_000958 1 3 12L ?   N Y 
PRD_000958 1 4 1E1 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000958 2012-12-18 RCSB "Create molecule" 
PRD_000958 2012-12-26 RCSB "Initial release" 
# 
data_PRD_000959
# 
_pdbx_reference_molecule.prd_id                       PRD_000959 
_pdbx_reference_molecule.name                         "4-(BENZYLOXY)-N-[(2S,3R)-3-HYDROXY-1-{[(2S)-1-{[(3-METHYLTHIOPHEN-2-YL)METHYL]AMINO}-1-OXO-4-PHENYLBUTAN-2-YL]AMINO}-1-OXOBUTAN-2-YL]BENZAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C34 H37 N3 O5 S" 
_pdbx_reference_molecule.formula_weight               599.740 
_pdbx_reference_molecule.chem_comp_id                 3OE 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3OEV 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000959 
_pdbx_reference_entity_subcomponents.seq            "02S THR HPE 02T" 
_pdbx_reference_entity_subcomponents.chem_comp_id   3OE 
# 
_pdbx_reference_entity_list.prd_id          PRD_000959 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000959 1 1 N   HPE 3 C   THR 2 sing 1 ? ? ? 
PRD_000959 1 2 N29 02T 4 C   HPE 3 sing 1 ? ? ? 
PRD_000959 1 3 N   THR 2 C27 02S 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000959 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000959 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000959 1 1 02S ? N Y 
PRD_000959 1 2 THR ? N Y 
PRD_000959 1 3 HPE ? N Y 
PRD_000959 1 4 02T ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000959 2012-09-11 RCSB "Create molecule" 
PRD_000959 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000960
# 
_pdbx_reference_molecule.prd_id                       PRD_000960 
_pdbx_reference_molecule.name                         "N-[(benzyloxy)carbonyl]-L-valyl-L-alpha-glutamyl-N-[(2R)-1-carboxy-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]-L-isoleucinamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H42 F4 N4 O11" 
_pdbx_reference_molecule.formula_weight               770.722 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4HVA 
# 
_pdbx_reference_entity_list.prd_id          PRD_000960 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000960 1 1 C1 PHQ 1 N VAL 2 sing 1 ? ? ? 
PRD_000960 1 2 C  VAL 2 N GLU 3 sing 1 ? ? ? 
PRD_000960 1 3 C  GLU 3 N ILE 4 sing 1 ? ? ? 
PRD_000960 1 4 C  ILE 4 N 4H0 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000960 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000960 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000960 1 1 PHQ ?   N Y 
PRD_000960 1 2 VAL VAL N Y 
PRD_000960 1 3 GLU GLU N Y 
PRD_000960 1 4 ILE ILE N Y 
PRD_000960 1 5 4H0 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000960 2013-01-02 RCSB "Create molecule"    
PRD_000960 2013-03-20 RCSB "Initial release"    
PRD_000960 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000964
# 
_pdbx_reference_molecule.prd_id                       PRD_000964 
_pdbx_reference_molecule.name                         "N-(BENZYLSULFONYL)-D-ALANYL-N-[2-(AMINOMETHYL)-5-CHLOROBENZYL]-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H29 Cl N4 O4 S" 
_pdbx_reference_molecule.formula_weight               493.019 
_pdbx_reference_molecule.chem_comp_id                 M32 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             Inhibitor 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3RMM 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000964 
_pdbx_reference_entity_subcomponents.seq            "PMS DAL PRO 00T" 
_pdbx_reference_entity_subcomponents.chem_comp_id   M32 
# 
_pdbx_reference_entity_list.prd_id          PRD_000964 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000964 1 1 S PMS 1 N   DAL 2 sing 1 ? ? ? 
PRD_000964 1 2 C DAL 2 N   PRO 3 sing 1 ? ? ? 
PRD_000964 1 3 C PRO 3 N19 00T 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000964 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000964 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000964 1 1 PMS ?   N Y 
PRD_000964 1 2 DAL ?   N Y 
PRD_000964 1 3 PRO PRO N Y 
PRD_000964 1 4 00T ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000964 2012-09-11 RCSB "Create molecule" 
PRD_000964 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000966
# 
_pdbx_reference_molecule.prd_id                       PRD_000966 
_pdbx_reference_molecule.name                         "[(5S)-5-[[(2S)-6-azaniumyl-2-[[(2S)-6-azaniumyl-2-[2-[[(2S)-2-[[(2S)-2-[[(2S,5S,8S,11S,20S)-20-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-2-(2-hydroxy-2-oxoethyl)-11,20-dimethyl-5,8-bis(2-methylpropyl)-3,6,9,21-tetrakis(oxidanylidene)-1,4,7,10-tetrazacyclohenicos-11-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]hexanoyl]amino]hexanoyl]amino]-6-oxidanyl-6-oxidanylidene-hexyl]azanium" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C87 H140 N17 O20" 
_pdbx_reference_molecule.formula_weight               1744.144 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2L6E 
# 
_pdbx_reference_entity_list.prd_id          PRD_000966 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "NYAD-13 stapled peptide inhibitor" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000966 1 1  C  ILE 1  N  THR 2  sing 1 ? ? ? 
PRD_000966 1 2  C  THR 2  N  PHE 3  sing 1 ? ? ? 
PRD_000966 1 3  C  PHE 3  N  MK8 4  sing 1 ? ? ? 
PRD_000966 1 4  C  MK8 4  N  ASP 5  sing 1 ? ? ? 
PRD_000966 1 5  CE MK8 4  CE MK8 8  sing 1 ? ? ? 
PRD_000966 1 6  C  ASP 5  N  LEU 6  sing 1 ? ? ? 
PRD_000966 1 7  C  LEU 6  N  LEU 7  sing 1 ? ? ? 
PRD_000966 1 8  C  LEU 7  N  MK8 8  sing 1 ? ? ? 
PRD_000966 1 9  C  MK8 8  N  TYR 9  sing 1 ? ? ? 
PRD_000966 1 10 C  TYR 9  N  TYR 10 sing 1 ? ? ? 
PRD_000966 1 11 C  TYR 10 N  GLY 11 sing 1 ? ? ? 
PRD_000966 1 12 C  GLY 11 N  LYS 12 sing 1 ? ? ? 
PRD_000966 1 13 C  LYS 12 N  LYS 13 sing 1 ? ? ? 
PRD_000966 1 14 C  LYS 13 N  LYS 14 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000966 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000966 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000966 1 1  ILE ? N Y 
PRD_000966 1 2  THR ? N Y 
PRD_000966 1 3  PHE ? N Y 
PRD_000966 1 4  MK8 ? N Y 
PRD_000966 1 5  ASP ? N Y 
PRD_000966 1 6  LEU ? N Y 
PRD_000966 1 7  LEU ? N Y 
PRD_000966 1 8  MK8 ? N Y 
PRD_000966 1 9  TYR ? N Y 
PRD_000966 1 10 TYR ? N Y 
PRD_000966 1 11 GLY ? N Y 
PRD_000966 1 12 LYS ? N Y 
PRD_000966 1 13 LYS ? N Y 
PRD_000966 1 14 LYS ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000966 2012-09-11 RCSB "Create molecule"    
PRD_000966 2012-12-12 RCSB "Initial release"    
PRD_000966 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000967
# 
_pdbx_reference_molecule.prd_id                       PRD_000967 
_pdbx_reference_molecule.name                         "macrocyclic peptidomimetic" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C56 H84 N16 O9" 
_pdbx_reference_molecule.formula_weight               1125.368 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4I80 
# 
_pdbx_reference_entity_list.prd_id          PRD_000967 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000967 1 1 C   ACE 1 N ARG 2 sing 1 ? ? ? 
PRD_000967 1 2 C   ARG 2 N TRP 3 sing 1 ? ? ? 
PRD_000967 1 3 C   TRP 3 N 1E3 4 sing 1 ? ? ? 
PRD_000967 1 4 C   1E3 4 N PHE 5 sing 1 ? ? ? 
PRD_000967 1 5 NAA 1E3 4 C PRO 9 sing 1 ? ? ? 
PRD_000967 1 6 C   PHE 5 N PRO 6 sing 1 ? ? ? 
PRD_000967 1 7 C   PRO 6 N ALA 7 sing 1 ? ? ? 
PRD_000967 1 8 C   ALA 7 N ARG 8 sing 1 ? ? ? 
PRD_000967 1 9 C   ARG 8 N PRO 9 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000967 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000967 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000967 1 1 ACE ?   N Y 
PRD_000967 1 2 ARG ARG N Y 
PRD_000967 1 3 TRP TRP N Y 
PRD_000967 1 4 1E3 ?   N Y 
PRD_000967 1 5 PHE PHE N Y 
PRD_000967 1 6 PRO PRO N Y 
PRD_000967 1 7 ALA ALA N Y 
PRD_000967 1 8 ARG ARG N Y 
PRD_000967 1 9 PRO PRO N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000967 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 32630 
_pdbx_reference_entity_src_nat.organism_scientific   synthetic 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000967 2013-01-15 RCSB "Create molecule" 
PRD_000967 2013-03-06 RCSB "Initial release" 
PRD_000967 2013-06-07 RCSB "Modify linkage"  
# 
data_PRD_000970
# 
_pdbx_reference_molecule.prd_id                       PRD_000970 
_pdbx_reference_molecule.name                         "Synthetic peptide LR" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C43 H72 N13 O13 S" 
_pdbx_reference_molecule.formula_weight               1011.176 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3N5E 
# 
_pdbx_reference_entity_list.prd_id          PRD_000970 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000970 1 1 C LEU 1 N SER 2 sing 1 ? ? ? 
PRD_000970 1 2 C SER 2 N CYS 3 sing 1 ? ? ? 
PRD_000970 1 3 C CYS 3 N GLN 4 sing 1 ? ? ? 
PRD_000970 1 4 C GLN 4 N LEU 5 sing 1 ? ? ? 
PRD_000970 1 5 C LEU 5 N TYR 6 sing 1 ? ? ? 
PRD_000970 1 6 C TYR 6 N GLN 7 sing 1 ? ? ? 
PRD_000970 1 7 C GLN 7 N ARG 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000970 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000970 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000970 1 1 LEU LEU N Y 
PRD_000970 1 2 SER SER N Y 
PRD_000970 1 3 CYS CYS N Y 
PRD_000970 1 4 GLN GLN N Y 
PRD_000970 1 5 LEU LEU N Y 
PRD_000970 1 6 TYR TYR N Y 
PRD_000970 1 7 GLN GLN N Y 
PRD_000970 1 8 ARG ARG N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000970 2012-09-11 RCSB "Create molecule"    
PRD_000970 2013-06-03 RCSB "Other modification" 
PRD_000970 2013-07-24 RCSB "Initial release"    
# 
data_PRD_000971
# 
_pdbx_reference_molecule.prd_id                       PRD_000971 
_pdbx_reference_molecule.name                         "N-ACETYLGLYCYL-N-[(3S)-1-HYDROXY-5-METHYL-2-OXOHEXAN-3-YL]-L-SERINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C14 H25 N3 O6" 
_pdbx_reference_molecule.formula_weight               331.365 
_pdbx_reference_molecule.chem_comp_id                 621 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3PA8 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000971 
_pdbx_reference_entity_subcomponents.seq            "ACE GLY SER LEX" 
_pdbx_reference_entity_subcomponents.chem_comp_id   621 
# 
_pdbx_reference_entity_list.prd_id          PRD_000971 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000971 1 1 N LEX 4 C SER 3 sing 1 ? ? ? 
PRD_000971 1 2 N SER 3 C GLY 2 sing 1 ? ? ? 
PRD_000971 1 3 N GLY 2 C ACE 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000971 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000971 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000971 1 1 ACE ? N Y 
PRD_000971 1 2 GLY ? N Y 
PRD_000971 1 3 SER ? N Y 
PRD_000971 1 4 LEX ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000971 2012-09-11 RCSB "Create molecule" 
PRD_000971 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000972
# 
_pdbx_reference_molecule.prd_id                       PRD_000972 
_pdbx_reference_molecule.name                         "N-(BENZYLSULFONYL)-D-VALYL-N-[2-(AMINOMETHYL)-5-CHLOROBENZYL]-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H33 Cl N4 O4 S" 
_pdbx_reference_molecule.formula_weight               521.072 
_pdbx_reference_molecule.chem_comp_id                 M41 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3RMN 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000972 
_pdbx_reference_entity_subcomponents.seq            "PMS DVA PRO 00T" 
_pdbx_reference_entity_subcomponents.chem_comp_id   M41 
# 
_pdbx_reference_entity_list.prd_id          PRD_000972 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000972 1 1 S PMS 1 N   DVA 2 sing 1 ? ? ? 
PRD_000972 1 2 C DVA 2 N   PRO 3 sing 1 ? ? ? 
PRD_000972 1 3 C PRO 3 N19 00T 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000972 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000972 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000972 1 1 PMS ?   N Y 
PRD_000972 1 2 DVA ?   N Y 
PRD_000972 1 3 PRO PRO N Y 
PRD_000972 1 4 00T ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000972 2012-09-11 RCSB "Create molecule" 
PRD_000972 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000973
# 
_pdbx_reference_molecule.prd_id                       PRD_000973 
_pdbx_reference_molecule.name                         "Trypsin inhibitor 1" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Trypsin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C71 H103 N18 O18 S2" 
_pdbx_reference_molecule.formula_weight               1560.817 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4K1E 
# 
_pdbx_reference_entity_list.prd_id          PRD_000973 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000973 1 1  N  GLY 1  C  ASP 14 sing 1 ? ? ? 
PRD_000973 1 2  C  GLY 1  N  PHE 2  sing 1 ? ? ? 
PRD_000973 1 3  C  PHE 2  N  CYS 3  sing 1 ? ? ? 
PRD_000973 1 4  C  CYS 3  N  GLN 4  sing 1 ? ? ? 
PRD_000973 1 5  SG CYS 3  SG CYS 11 sing 1 ? ? ? 
PRD_000973 1 6  C  GLN 4  N  ARG 5  sing 1 ? ? ? 
PRD_000973 1 7  C  ARG 5  N  SER 6  sing 1 ? ? ? 
PRD_000973 1 8  C  SER 6  N  ILE 7  sing 1 ? ? ? 
PRD_000973 1 9  C  ILE 7  N  PRO 8  sing 1 ? ? ? 
PRD_000973 1 10 C  PRO 8  N  PRO 9  sing 1 ? ? ? 
PRD_000973 1 11 C  PRO 9  N  ILE 10 sing 1 ? ? ? 
PRD_000973 1 12 C  ILE 10 N  CYS 11 sing 1 ? ? ? 
PRD_000973 1 13 C  CYS 11 N  PHE 12 sing 1 ? ? ? 
PRD_000973 1 14 C  PHE 12 N  PRO 13 sing 1 ? ? ? 
PRD_000973 1 15 C  PRO 13 N  ASP 14 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000973 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         Q4GWU5 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000973 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000973 1 1  GLY GLY N Y 
PRD_000973 1 2  PHE PHE N Y 
PRD_000973 1 3  CYS CYS N Y 
PRD_000973 1 4  GLN GLN N Y 
PRD_000973 1 5  ARG ARG N Y 
PRD_000973 1 6  SER SER N Y 
PRD_000973 1 7  ILE ILE N Y 
PRD_000973 1 8  PRO PRO N Y 
PRD_000973 1 9  PRO PRO N Y 
PRD_000973 1 10 ILE ILE N Y 
PRD_000973 1 11 CYS CYS N Y 
PRD_000973 1 12 PHE PHE N Y 
PRD_000973 1 13 PRO PRO N Y 
PRD_000973 1 14 ASP ASP N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000973 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 4232 
_pdbx_reference_entity_src_nat.organism_scientific   "Helianthus annuus" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000973 2013-04-11 PDBJ "Create molecule" 
PRD_000973 2014-04-09 RCSB "Initial release" 
# 
data_PRD_000976
# 
_pdbx_reference_molecule.prd_id                       PRD_000976 
_pdbx_reference_molecule.name                         "N-acetyl-L-valyl-L-alpha-glutamyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-isoleucinamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H36 N4 O9" 
_pdbx_reference_molecule.formula_weight               500.543 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3OD5 
# 
_pdbx_reference_entity_list.prd_id          PRD_000976 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000976 1 1 C ACE 1 N VAL 2 sing 1 ? ? ? 
PRD_000976 1 2 C VAL 2 N GLU 3 sing 1 ? ? ? 
PRD_000976 1 3 C GLU 3 N ILE 4 sing 1 ? ? ? 
PRD_000976 1 4 C ILE 4 N ASA 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000976 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000976 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000976 1 1 ACE ?   N Y 
PRD_000976 1 2 VAL VAL N Y 
PRD_000976 1 3 GLU GLU N Y 
PRD_000976 1 4 ILE ILE N Y 
PRD_000976 1 5 ASA ASP N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000976 2012-09-11 RCSB "Create molecule"    
PRD_000976 2012-12-12 RCSB "Initial release"    
PRD_000976 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000977
# 
_pdbx_reference_molecule.prd_id                       PRD_000977 
_pdbx_reference_molecule.name                         "1-acetyl-L-prolyl-L-threonyl-N-[(2R,3S)-4-chloro-3-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]-L-serinamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H35 Cl N4 O8" 
_pdbx_reference_molecule.formula_weight               543.010 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3TJU 
# 
_pdbx_reference_entity_list.prd_id          PRD_000977 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "Ac-PTSY-CMK inhibitor" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000977 1 1 C ACE 1 N  PRO 2 sing 1 ? ? ? 
PRD_000977 1 2 C PRO 2 N  THR 3 sing 1 ? ? ? 
PRD_000977 1 3 C THR 3 N  SER 4 sing 1 ? ? ? 
PRD_000977 1 4 C SER 4 N  TYW 5 sing 1 ? ? ? 
PRD_000977 1 5 C TYW 5 C1 0QE 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000977 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000977 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000977 1 1 ACE ? N Y 
PRD_000977 1 2 PRO ? N Y 
PRD_000977 1 3 THR ? N Y 
PRD_000977 1 4 SER ? N Y 
PRD_000977 1 5 TYW ? N Y 
PRD_000977 1 6 0QE ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000977 2012-09-11 RCSB "Create molecule"    
PRD_000977 2012-12-12 RCSB "Initial release"    
PRD_000977 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000979
# 
_pdbx_reference_molecule.prd_id                       PRD_000979 
_pdbx_reference_molecule.name                         "N3PHE-LEU-LEU-PHE(4-NH2CH2)-METHYL VINYL SULFONE, BOUND FORM" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C33 H49 N7 O5 S" 
_pdbx_reference_molecule.formula_weight               655.851 
_pdbx_reference_molecule.chem_comp_id                 1G1 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4INR 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000979 
_pdbx_reference_entity_subcomponents.seq            "1G2 LEU LEU 1G3" 
_pdbx_reference_entity_subcomponents.chem_comp_id   1G1 
# 
_pdbx_reference_entity_list.prd_id          PRD_000979 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000979 1 1 C12 1G2 1 N   LEU 2 sing 1 ? ? ? 
PRD_000979 1 2 C   LEU 2 N   LEU 3 sing 1 ? ? ? 
PRD_000979 1 3 C   LEU 3 N35 1G3 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000979 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000979 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000979 1 1 1G2 ?   N Y 
PRD_000979 1 2 LEU LEU N Y 
PRD_000979 1 3 LEU LEU N Y 
PRD_000979 1 4 1G3 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000979 2013-01-22 RCSB "Create molecule" 
PRD_000979 2013-01-30 RCSB "Initial release" 
# 
data_PRD_000980
# 
_pdbx_reference_molecule.prd_id                       PRD_000980 
_pdbx_reference_molecule.name                         "N-[(S)-({[(BENZYLOXY)CARBONYL]AMINO}METHYL)(HYDROXY)PHOSPHORYL]-N-METHYL-L-LEUCINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C16 H26 N3 O5 P" 
_pdbx_reference_molecule.formula_weight               371.369 
_pdbx_reference_molecule.chem_comp_id                 UBX 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3T73 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000980 
_pdbx_reference_entity_subcomponents.seq            "PHQ PGL LNM" 
_pdbx_reference_entity_subcomponents.chem_comp_id   UBX 
# 
_pdbx_reference_entity_list.prd_id          PRD_000980 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000980 1 1 N   PGL 2 C14 PHQ 1 sing 1 ? ? ? 
PRD_000980 1 2 N13 LNM 3 P   PGL 2 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000980 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000980 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000980 1 1 PHQ ? N Y 
PRD_000980 1 2 PGL ? N Y 
PRD_000980 1 3 LNM ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000980 2012-09-11 RCSB "Create molecule" 
PRD_000980 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000981
# 
_pdbx_reference_molecule.prd_id                       PRD_000981 
_pdbx_reference_molecule.name                         "N-[(S)-({[(BENZYLOXY)CARBONYL]AMINO}METHYL)(HYDROXY)PHOSPHORYL]-L-LEUCYL-L-ALANINE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H28 N3 O7 P" 
_pdbx_reference_molecule.formula_weight               429.405 
_pdbx_reference_molecule.chem_comp_id                 UBY 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3T74 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000981 
_pdbx_reference_entity_subcomponents.seq            "PHQ PGL LEU ALA" 
_pdbx_reference_entity_subcomponents.chem_comp_id   UBY 
# 
_pdbx_reference_entity_list.prd_id          PRD_000981 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000981 1 1 N PGL 2 C14 PHQ 1 sing 1 ? ? ? 
PRD_000981 1 2 N LEU 3 P   PGL 2 sing 1 ? ? ? 
PRD_000981 1 3 C LEU 3 N   ALA 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000981 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000981 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000981 1 1 PHQ ? N Y 
PRD_000981 1 2 PGL ? N Y 
PRD_000981 1 3 LEU ? N Y 
PRD_000981 1 4 ALA ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000981 2012-09-11 RCSB "Create molecule" 
PRD_000981 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000982
# 
_pdbx_reference_molecule.prd_id                       PRD_000982 
_pdbx_reference_molecule.name                         "(2S)-2-({N-[(R)-({[(BENZYLOXY)CARBONYL]AMINO}METHYL)(HYDROXY)PHOSPHORYL]-L-LEUCYL}AMINO)BUTANOIC ACID" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C19 H30 N3 O7 P" 
_pdbx_reference_molecule.formula_weight               443.431 
_pdbx_reference_molecule.chem_comp_id                 UBZ 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3T87 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000982 
_pdbx_reference_entity_subcomponents.seq            "PHQ PGL LEU ABA" 
_pdbx_reference_entity_subcomponents.chem_comp_id   UBZ 
# 
_pdbx_reference_entity_list.prd_id          PRD_000982 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000982 1 1 C14 PHQ 1 N PGL 2 sing 1 ? ? ? 
PRD_000982 1 2 P   PGL 2 N LEU 3 sing 1 ? ? ? 
PRD_000982 1 3 N   ABA 4 C LEU 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000982 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000982 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000982 1 1 PHQ ? N Y 
PRD_000982 1 2 PGL ? N Y 
PRD_000982 1 3 LEU ? N Y 
PRD_000982 1 4 ABA ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000982 2012-09-11 RCSB "Create molecule" 
PRD_000982 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000983
# 
_pdbx_reference_molecule.prd_id                       PRD_000983 
_pdbx_reference_molecule.name                         "N-[(R)-({[(BENZYLOXY)CARBONYL]AMINO}METHYL)(HYDROXY)PHOSPHORYL]-L-LEUCYL-L-NORVALINE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H32 N3 O7 P" 
_pdbx_reference_molecule.formula_weight               457.458 
_pdbx_reference_molecule.chem_comp_id                 UBW 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3T8C 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000983 
_pdbx_reference_entity_subcomponents.seq            "PHQ PGL LEU NVA" 
_pdbx_reference_entity_subcomponents.chem_comp_id   UBW 
# 
_pdbx_reference_entity_list.prd_id          PRD_000983 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000983 1 1 C14 PHQ 1 N PGL 2 sing 1 ? ? ? 
PRD_000983 1 2 P   PGL 2 N LEU 3 sing 1 ? ? ? 
PRD_000983 1 3 N   NVA 4 C LEU 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000983 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000983 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000983 1 1 PHQ ? N Y 
PRD_000983 1 2 PGL ? N Y 
PRD_000983 1 3 LEU ? N Y 
PRD_000983 1 4 NVA ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000983 2012-09-11 RCSB "Create molecule" 
PRD_000983 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000984
# 
_pdbx_reference_molecule.prd_id                       PRD_000984 
_pdbx_reference_molecule.name                         "N-[(S)-({[(BENZYLOXY)CARBONYL]AMINO}METHYL)(HYDROXY)PHOSPHORYL]-L-LEUCYL-L-ISOLEUCINE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H34 N3 O7 P" 
_pdbx_reference_molecule.formula_weight               471.484 
_pdbx_reference_molecule.chem_comp_id                 UBV 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3T8D 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000984 
_pdbx_reference_entity_subcomponents.seq            "PHQ PGL LEU ILE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   UBV 
# 
_pdbx_reference_entity_list.prd_id          PRD_000984 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000984 1 1 N PGL 2 C14 PHQ 1 sing 1 ? ? ? 
PRD_000984 1 2 N LEU 3 P   PGL 2 sing 1 ? ? ? 
PRD_000984 1 3 C LEU 3 N   ILE 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000984 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000984 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000984 1 1 PHQ ? N Y 
PRD_000984 1 2 PGL ? N Y 
PRD_000984 1 3 LEU ? N Y 
PRD_000984 1 4 ILE ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000984 2012-09-11 RCSB "Create molecule" 
PRD_000984 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000985
# 
_pdbx_reference_molecule.prd_id                       PRD_000985 
_pdbx_reference_molecule.name                         "N-[(R)-({[(BENZYLOXY)CARBONYL]AMINO}METHYL)(HYDROXY)PHOSPHORYL]-N-ETHYL-L-LEUCINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C17 H28 N3 O5 P" 
_pdbx_reference_molecule.formula_weight               385.395 
_pdbx_reference_molecule.chem_comp_id                 UBU 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3T8F 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000985 
_pdbx_reference_entity_subcomponents.seq            "PHQ PGL LNE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   UBU 
# 
_pdbx_reference_entity_list.prd_id          PRD_000985 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000985 1 1 C14 PHQ 1 N  PGL 2 sing 1 ? ? ? 
PRD_000985 1 2 P   PGL 2 N9 LNE 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000985 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000985 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000985 1 1 PHQ ? N Y 
PRD_000985 1 2 PGL ? N Y 
PRD_000985 1 3 LNE ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000985 2012-09-11 RCSB "Create molecule" 
PRD_000985 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000986
# 
_pdbx_reference_molecule.prd_id                       PRD_000986 
_pdbx_reference_molecule.name                         "N-[(R)-({[(BENZYLOXY)CARBONYL]AMINO}METHYL)(HYDROXY)PHOSPHORYL]-L-LEUCYLGLYCINE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C17 H26 N3 O7 P" 
_pdbx_reference_molecule.formula_weight               415.378 
_pdbx_reference_molecule.chem_comp_id                 UBT 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3T8G 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000986 
_pdbx_reference_entity_subcomponents.seq            "PHQ PGL LEU GLY" 
_pdbx_reference_entity_subcomponents.chem_comp_id   UBT 
# 
_pdbx_reference_entity_list.prd_id          PRD_000986 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000986 1 1 C14 PHQ 1 N PGL 2 sing 1 ? ? ? 
PRD_000986 1 2 P   PGL 2 N LEU 3 sing 1 ? ? ? 
PRD_000986 1 3 N   GLY 4 C LEU 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000986 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000986 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000986 1 1 PHQ ? N Y 
PRD_000986 1 2 PGL ? N Y 
PRD_000986 1 3 LEU ? N Y 
PRD_000986 1 4 GLY ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000986 2012-09-11 RCSB "Create molecule" 
PRD_000986 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000987
# 
_pdbx_reference_molecule.prd_id                       PRD_000987 
_pdbx_reference_molecule.name                         "N-[(S)-({[(BENZYLOXY)CARBONYL]AMINO}METHYL)(HYDROXY)PHOSPHORYL]-L-LEUCYL-L-VALINE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H32 N3 O7 P" 
_pdbx_reference_molecule.formula_weight               457.458 
_pdbx_reference_molecule.chem_comp_id                 UBS 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3T8H 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000987 
_pdbx_reference_entity_subcomponents.seq            "PHQ PGL LEU VAL" 
_pdbx_reference_entity_subcomponents.chem_comp_id   UBS 
# 
_pdbx_reference_entity_list.prd_id          PRD_000987 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000987 1 1 N PGL 2 C14 PHQ 1 sing 1 ? ? ? 
PRD_000987 1 2 N LEU 3 P   PGL 2 sing 1 ? ? ? 
PRD_000987 1 3 C LEU 3 N   VAL 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000987 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000987 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000987 1 1 PHQ ? N Y 
PRD_000987 1 2 PGL ? N Y 
PRD_000987 1 3 LEU ? N Y 
PRD_000987 1 4 VAL ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000987 2012-09-11 RCSB "Create molecule" 
PRD_000987 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000988
# 
_pdbx_reference_molecule.prd_id                       PRD_000988 
_pdbx_reference_molecule.name                         "N-benzoyl-L-norleucyl-6-ammonio-L-norleucyl-N~5~-[amino(iminio)methyl]-N-[(2S)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-ornithinamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H57 N11 O5" 
_pdbx_reference_molecule.formula_weight               663.855 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3U1I 
# 
_pdbx_reference_entity_list.prd_id          PRD_000988 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "peptide of (BEZ)(NLE)KR(OAR)" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000988 1 1 C BEZ 1 N NLE 2 sing 1 ? ? ? 
PRD_000988 1 2 C NLE 2 N LYS 3 sing 1 ? ? ? 
PRD_000988 1 3 C LYS 3 N ARG 4 sing 1 ? ? ? 
PRD_000988 1 4 C ARG 4 N OAR 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000988 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000988 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000988 1 1 BEZ ? N Y 
PRD_000988 1 2 NLE ? N Y 
PRD_000988 1 3 LYS ? N Y 
PRD_000988 1 4 ARG ? N Y 
PRD_000988 1 5 OAR ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000988 2012-09-11 RCSB "Create molecule"    
PRD_000988 2012-12-12 RCSB "Initial release"    
PRD_000988 2013-06-03 RCSB "Other modification" 
PRD_000988 2023-11-03 PDBE "Other modification" 
# 
data_PRD_000989
# 
_pdbx_reference_molecule.prd_id                       PRD_000989 
_pdbx_reference_molecule.name                         ISOAMYLPHOSPHONYL-GLY-PRO-ALA 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C15 H28 N3 O6 P" 
_pdbx_reference_molecule.formula_weight               377.373 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2Y6I 
# 
_pdbx_reference_entity_list.prd_id          PRD_000989 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "Tetrapeptide inhibitor" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000989 1 1 P IPI 1 N GLY 2 sing 1 ? ? ? 
PRD_000989 1 2 C GLY 2 N PRO 3 sing 1 ? ? ? 
PRD_000989 1 3 C PRO 3 N ALA 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000989 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000989 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000989 1 1 IPI ?   N Y 
PRD_000989 1 2 GLY GLY N Y 
PRD_000989 1 3 PRO PRO N Y 
PRD_000989 1 4 ALA ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000989 2012-09-11 RCSB "Create molecule"    
PRD_000989 2012-10-19 RCSB "Other modification" 
PRD_000989 2012-12-12 RCSB "Initial release"    
PRD_000989 2013-06-03 RCSB "Other modification" 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000989 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 ? 
_pdbx_reference_entity_src_nat.organism_scientific   ? 
_pdbx_reference_entity_src_nat.source                PubMed 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
data_PRD_000990
# 
_pdbx_reference_molecule.prd_id                       PRD_000990 
_pdbx_reference_molecule.name                         "peptide ACE-SER-ALA-VAL-ALC-HIS-H" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H46 N7 O7" 
_pdbx_reference_molecule.formula_weight               592.708 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3AVZ 
# 
_pdbx_reference_entity_list.prd_id          PRD_000990 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000990 1 1 C ACE 1 N SER 2 sing 1 ? ? ? 
PRD_000990 1 2 C SER 2 N ALA 3 sing 1 ? ? ? 
PRD_000990 1 3 C ALA 3 N VAL 4 sing 1 ? ? ? 
PRD_000990 1 4 C VAL 4 N ALC 5 sing 1 ? ? ? 
PRD_000990 1 5 C ALC 5 N HSV 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000990 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000990 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000990 1 1 ACE ? N Y 
PRD_000990 1 2 SER ? N Y 
PRD_000990 1 3 ALA ? N Y 
PRD_000990 1 4 VAL ? N Y 
PRD_000990 1 5 ALC ? N Y 
PRD_000990 1 6 HSV ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000990 2012-09-11 RCSB "Create molecule"    
PRD_000990 2012-12-12 RCSB "Initial release"    
PRD_000990 2013-06-03 RCSB "Other modification" 
PRD_000990 2015-06-29 PDBJ "Other modification" 
# 
data_PRD_000991
# 
_pdbx_reference_molecule.prd_id                       PRD_000991 
_pdbx_reference_molecule.name                         "1,2,4-TRIDEOXY-4-METHYL-2-{[N-(MORPHOLIN-4-YLACETYL)-L-ALANYL-O-METHYL-L-TYROSYL]AMINO}-1-PHENYL-D-XYLITOL" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H44 N4 O7" 
_pdbx_reference_molecule.formula_weight               584.704 
_pdbx_reference_molecule.chem_comp_id                 04C 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3UN4 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000991 
_pdbx_reference_entity_subcomponents.seq            "00E ALA 0A1 04B" 
_pdbx_reference_entity_subcomponents.chem_comp_id   04C 
# 
_pdbx_reference_entity_list.prd_id          PRD_000991 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000991 1 1 C 00E 1 N   ALA 2 sing 1 ? ? ? 
PRD_000991 1 2 C ALA 2 N   0A1 3 sing 1 ? ? ? 
PRD_000991 1 3 C 0A1 3 N22 04B 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000991 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000991 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000991 1 1 00E ? N Y 
PRD_000991 1 2 ALA ? N Y 
PRD_000991 1 3 0A1 ? N Y 
PRD_000991 1 4 04B ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000991 2012-09-11 RCSB "Create molecule" 
PRD_000991 2012-12-12 RCSB "Initial release" 
# 
data_PRD_000992
# 
_pdbx_reference_molecule.prd_id                       PRD_000992 
_pdbx_reference_molecule.name                         "HMB-VAL-SER-PHE(4-NH2CH2)-METHYL VINYL SULFONE, BOUND FORM" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H40 N4 O7 S" 
_pdbx_reference_molecule.formula_weight               576.705 
_pdbx_reference_molecule.chem_comp_id                 1G5 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4INT 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000992 
_pdbx_reference_entity_subcomponents.seq            "PF0 VAL SER 1G3" 
_pdbx_reference_entity_subcomponents.chem_comp_id   1G5 
# 
_pdbx_reference_entity_list.prd_id          PRD_000992 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000992 1 1 C8 PF0 1 N   VAL 2 sing 1 ? ? ? 
PRD_000992 1 2 C  VAL 2 N   SER 3 sing 1 ? ? ? 
PRD_000992 1 3 C  SER 3 N35 1G3 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000992 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000992 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000992 1 1 PF0 ?   N Y 
PRD_000992 1 2 VAL VAL N Y 
PRD_000992 1 3 SER SER N Y 
PRD_000992 1 4 1G3 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000992 2013-01-22 RCSB "Create molecule" 
PRD_000992 2013-01-30 RCSB "Initial release" 
# 
data_PRD_000993
# 
_pdbx_reference_molecule.prd_id                       PRD_000993 
_pdbx_reference_molecule.name                         "N3PHE-PHE(4-NH2CH2)-LEU-PHE(4-NH2CH2)-METHYL VINYL SULFONE, BOUND FORM" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C37 H50 N8 O5 S" 
_pdbx_reference_molecule.formula_weight               718.908 
_pdbx_reference_molecule.chem_comp_id                 1G6 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4INU 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_000993 
_pdbx_reference_entity_subcomponents.seq            "1G2 1G8 LEU 1G3" 
_pdbx_reference_entity_subcomponents.chem_comp_id   1G6 
# 
_pdbx_reference_entity_list.prd_id          PRD_000993 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000993 1 1 C12 1G2 1 N14 1G8 2 sing 1 ? ? ? 
PRD_000993 1 2 C25 1G8 2 N   LEU 3 sing 1 ? ? ? 
PRD_000993 1 3 C   LEU 3 N35 1G3 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000993 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000993 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000993 1 1 1G2 ?   N Y 
PRD_000993 1 2 1G8 ?   N Y 
PRD_000993 1 3 LEU LEU N Y 
PRD_000993 1 4 1G3 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000993 2013-01-22 RCSB "Create molecule" 
PRD_000993 2013-01-30 RCSB "Initial release" 
# 
data_PRD_000995
# 
_pdbx_reference_molecule.prd_id                       PRD_000995 
_pdbx_reference_molecule.name                         "D-peptide inhibitor DPMI-delta" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C73 H106 F3 N18 O18" 
_pdbx_reference_molecule.formula_weight               1580.728 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3TPX 
# 
_pdbx_reference_entity_list.prd_id          PRD_000995 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000995 1 1  C DTH 1  N DAL 2  sing 1 ? ? ? 
PRD_000995 1 2  C DAL 2  N DTR 3  sing 1 ? ? ? 
PRD_000995 1 3  C DTR 3  N DTY 4  sing 1 ? ? ? 
PRD_000995 1 4  C DTY 4  N DAL 5  sing 1 ? ? ? 
PRD_000995 1 5  C DAL 5  N DSG 6  sing 1 ? ? ? 
PRD_000995 1 6  C DSG 6  N TDF 7  sing 1 ? ? ? 
PRD_000995 1 7  C TDF 7  N DGL 8  sing 1 ? ? ? 
PRD_000995 1 8  C DGL 8  N DLY 9  sing 1 ? ? ? 
PRD_000995 1 9  C DLY 9  N DLE 10 sing 1 ? ? ? 
PRD_000995 1 10 C DLE 10 N DLE 11 sing 1 ? ? ? 
PRD_000995 1 11 C DLE 11 N DAR 12 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000995 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000995 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000995 1 1  DTH ? N N 
PRD_000995 1 2  DAL ? N Y 
PRD_000995 1 3  DTR ? N Y 
PRD_000995 1 4  DTY ? N Y 
PRD_000995 1 5  DAL ? N Y 
PRD_000995 1 6  DSG ? N Y 
PRD_000995 1 7  TDF ? N Y 
PRD_000995 1 8  DGL ? N Y 
PRD_000995 1 9  DLY ? N Y 
PRD_000995 1 10 DLE ? N Y 
PRD_000995 1 11 DLE ? N Y 
PRD_000995 1 12 DAR ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000995 2012-09-11 RCSB "Create molecule"    
PRD_000995 2012-12-12 RCSB "Initial release"    
PRD_000995 2013-06-03 RCSB "Other modification" 
PRD_000995 2013-06-10 RCSB "Modify sequence"    
# 
data_PRD_000997
# 
_pdbx_reference_molecule.prd_id                       PRD_000997 
_pdbx_reference_molecule.name                         JTH-NB72-39 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C42 H74 N14 O9 S" 
_pdbx_reference_molecule.formula_weight               951.190 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3NF3 
# 
_pdbx_reference_entity_list.prd_id          PRD_000997 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000997 1 1 C ARG 1 N ARG 2 sing 1 ? ? ? 
PRD_000997 1 2 C ARG 2 N PHE 3 sing 1 ? ? ? 
PRD_000997 1 3 C PHE 3 N AIB 4 sing 1 ? ? ? 
PRD_000997 1 4 C AIB 4 N ALA 5 sing 1 ? ? ? 
PRD_000997 1 5 C ALA 5 N MET 6 sing 1 ? ? ? 
PRD_000997 1 6 C MET 6 N LEU 7 sing 1 ? ? ? 
PRD_000997 1 7 C LEU 7 N ALA 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000997 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000997 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000997 1 1 ARG ? N Y 
PRD_000997 1 2 ARG ? N Y 
PRD_000997 1 3 PHE ? N Y 
PRD_000997 1 4 AIB ? N Y 
PRD_000997 1 5 ALA ? N Y 
PRD_000997 1 6 MET ? N Y 
PRD_000997 1 7 LEU ? N Y 
PRD_000997 1 8 ALA ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000997 2012-09-11 RCSB "Create molecule"    
PRD_000997 2012-12-12 RCSB "Initial release"    
PRD_000997 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000998
# 
_pdbx_reference_molecule.prd_id                       PRD_000998 
_pdbx_reference_molecule.name                         "[Aba3,16]BTD-2" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antimicrobial 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C80 H150 N36 O18 S4" 
_pdbx_reference_molecule.formula_weight               2032.537 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2M2G 
# 
_pdbx_reference_entity_list.prd_id          PRD_000998 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000998 1 1  N  GLY 1  C  ARG 18 sing 1 ? ? ? 
PRD_000998 1 2  C  GLY 1  N  VAL 2  sing 1 ? ? ? 
PRD_000998 1 3  C  VAL 2  N  ABA 3  sing 1 ? ? ? 
PRD_000998 1 4  C  ABA 3  N  ARG 4  sing 1 ? ? ? 
PRD_000998 1 5  C  ARG 4  N  CYS 5  sing 1 ? ? ? 
PRD_000998 1 6  C  CYS 5  N  VAL 6  sing 1 ? ? ? 
PRD_000998 1 7  SG CYS 5  SG CYS 14 sing 1 ? ? ? 
PRD_000998 1 8  C  VAL 6  N  CYS 7  sing 1 ? ? ? 
PRD_000998 1 9  C  CYS 7  N  ARG 8  sing 1 ? ? ? 
PRD_000998 1 10 SG CYS 7  SG CYS 12 sing 1 ? ? ? 
PRD_000998 1 11 C  ARG 8  N  ARG 9  sing 1 ? ? ? 
PRD_000998 1 12 C  ARG 9  N  GLY 10 sing 1 ? ? ? 
PRD_000998 1 13 C  GLY 10 N  VAL 11 sing 1 ? ? ? 
PRD_000998 1 14 C  VAL 11 N  CYS 12 sing 1 ? ? ? 
PRD_000998 1 15 C  CYS 12 N  ARG 13 sing 1 ? ? ? 
PRD_000998 1 16 C  ARG 13 N  CYS 14 sing 1 ? ? ? 
PRD_000998 1 17 C  CYS 14 N  VAL 15 sing 1 ? ? ? 
PRD_000998 1 18 C  VAL 15 N  ABA 16 sing 1 ? ? ? 
PRD_000998 1 19 C  ABA 16 N  ARG 17 sing 1 ? ? ? 
PRD_000998 1 20 C  ARG 17 N  ARG 18 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000998 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000998 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000998 1 1  GLY GLY N Y 
PRD_000998 1 2  VAL VAL N Y 
PRD_000998 1 3  ABA ALA N Y 
PRD_000998 1 4  ARG ARG N Y 
PRD_000998 1 5  CYS CYS N Y 
PRD_000998 1 6  VAL VAL N Y 
PRD_000998 1 7  CYS CYS N Y 
PRD_000998 1 8  ARG ARG N Y 
PRD_000998 1 9  ARG ARG N Y 
PRD_000998 1 10 GLY GLY N Y 
PRD_000998 1 11 VAL VAL N Y 
PRD_000998 1 12 CYS CYS N Y 
PRD_000998 1 13 ARG ARG N Y 
PRD_000998 1 14 CYS CYS N Y 
PRD_000998 1 15 VAL VAL N Y 
PRD_000998 1 16 ABA ALA N Y 
PRD_000998 1 17 ARG ARG N Y 
PRD_000998 1 18 ARG ARG N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000998 2013-01-23 RCSB "Create molecule"    
PRD_000998 2013-02-27 RCSB "Initial release"    
PRD_000998 2013-06-03 RCSB "Other modification" 
# 
data_PRD_000999
# 
_pdbx_reference_molecule.prd_id                       PRD_000999 
_pdbx_reference_molecule.name                         "ALPHA-BETA-FOLDAMER 2C" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C110 H166 N28 O28" 
_pdbx_reference_molecule.formula_weight               2328.666 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4A1W 
# 
_pdbx_reference_entity_list.prd_id          PRD_000999 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "Inhibitor of BCL-XL" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_000999 1 1  C ILE 1  N HT7 2  sing 1 ? ? ? 
PRD_000999 1 2  C HT7 2  N ILE 3  sing 1 ? ? ? 
PRD_000999 1 3  C ILE 3  N ALA 4  sing 1 ? ? ? 
PRD_000999 1 4  C ALA 4  N GLN 5  sing 1 ? ? ? 
PRD_000999 1 5  C GLN 5  N B3E 6  sing 1 ? ? ? 
PRD_000999 1 6  C B3E 6  N LEU 7  sing 1 ? ? ? 
PRD_000999 1 7  C LEU 7  N ARG 8  sing 1 ? ? ? 
PRD_000999 1 8  C ARG 8  N ARG 9  sing 1 ? ? ? 
PRD_000999 1 9  C ARG 9  N BIL 10 sing 1 ? ? ? 
PRD_000999 1 10 C BIL 10 N GLY 11 sing 1 ? ? ? 
PRD_000999 1 11 C GLY 11 N ASP 12 sing 1 ? ? ? 
PRD_000999 1 12 C ASP 12 N GLU 13 sing 1 ? ? ? 
PRD_000999 1 13 C GLU 13 N 3FB 14 sing 1 ? ? ? 
PRD_000999 1 14 C 3FB 14 N ASN 15 sing 1 ? ? ? 
PRD_000999 1 15 C ASN 15 N ALA 16 sing 1 ? ? ? 
PRD_000999 1 16 C ALA 16 N TYR 17 sing 1 ? ? ? 
PRD_000999 1 17 C TYR 17 N B3Y 18 sing 1 ? ? ? 
PRD_000999 1 18 C B3Y 18 N NH2 19 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000999 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000999 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_000999 1 1  ILE ? N Y 
PRD_000999 1 2  HT7 ? N Y 
PRD_000999 1 3  ILE ? N Y 
PRD_000999 1 4  ALA ? N Y 
PRD_000999 1 5  GLN ? N Y 
PRD_000999 1 6  B3E ? N Y 
PRD_000999 1 7  LEU ? N Y 
PRD_000999 1 8  ARG ? N Y 
PRD_000999 1 9  ARG ? N Y 
PRD_000999 1 10 BIL ? N Y 
PRD_000999 1 11 GLY ? N Y 
PRD_000999 1 12 ASP ? N Y 
PRD_000999 1 13 GLU ? N Y 
PRD_000999 1 14 3FB ? N Y 
PRD_000999 1 15 ASN ? N Y 
PRD_000999 1 16 ALA ? N Y 
PRD_000999 1 17 TYR ? N Y 
PRD_000999 1 18 B3Y ? N Y 
PRD_000999 1 19 NH2 ? N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000999 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 32630 
_pdbx_reference_entity_src_nat.organism_scientific   "SYNTHETIC CONSTRUCT" 
_pdbx_reference_entity_src_nat.source                PubMed 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000999 2012-09-11 RCSB "Create molecule"    
PRD_000999 2012-12-12 RCSB "Initial release"    
PRD_000999 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001000
# 
_pdbx_reference_molecule.prd_id                       PRD_001000 
_pdbx_reference_molecule.name                         "peptide ACE-SER-ALA-VAL-LEU-HIS-H" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H42 N7 O7" 
_pdbx_reference_molecule.formula_weight               552.644 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3AW0 
# 
_pdbx_reference_entity_list.prd_id          PRD_001000 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001000 1 1 C ACE 1 N SER 2 sing 1 ? ? ? 
PRD_001000 1 2 C SER 2 N ALA 3 sing 1 ? ? ? 
PRD_001000 1 3 C ALA 3 N VAL 4 sing 1 ? ? ? 
PRD_001000 1 4 C VAL 4 N LEU 5 sing 1 ? ? ? 
PRD_001000 1 5 C LEU 5 N HSV 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001000 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001000 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001000 1 1 ACE ? N Y 
PRD_001000 1 2 SER ? N Y 
PRD_001000 1 3 ALA ? N Y 
PRD_001000 1 4 VAL ? N Y 
PRD_001000 1 5 LEU ? N Y 
PRD_001000 1 6 HSV ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001000 2012-09-11 RCSB "Create molecule"    
PRD_001000 2012-12-12 RCSB "Initial release"    
PRD_001000 2013-06-03 RCSB "Other modification" 
PRD_001000 2015-07-21 PDBJ "Other modification" 
# 
data_PRD_001001
# 
_pdbx_reference_molecule.prd_id                       PRD_001001 
_pdbx_reference_molecule.name                         RITONAVIR 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C37 H48 N6 O5 S2" 
_pdbx_reference_molecule.formula_weight               720.944 
_pdbx_reference_molecule.chem_comp_id                 RIT 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3PRS 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001001 
_pdbx_reference_entity_subcomponents.seq            "013 015 VAL 019" 
_pdbx_reference_entity_subcomponents.chem_comp_id   RIT 
# 
_pdbx_reference_entity_list.prd_id          PRD_001001 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001001 1 1 C10 013 1 N11 015 2 sing 1 ? ? ? 
PRD_001001 1 2 C   VAL 3 N58 015 2 sing 1 ? ? ? 
PRD_001001 1 3 N   VAL 3 C21 019 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001001 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001001 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001001 1 1 013 ? N Y 
PRD_001001 1 2 015 ? N Y 
PRD_001001 1 3 VAL ? N Y 
PRD_001001 1 4 019 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001001 2012-09-11 RCSB "Create molecule" 
PRD_001001 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001002
# 
_pdbx_reference_molecule.prd_id                       PRD_001002 
_pdbx_reference_molecule.name                         "[Aba3,7,12,16]BTD-2" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antimicrobial 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C82 H156 N36 O18 S2" 
_pdbx_reference_molecule.formula_weight               1998.476 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2M2H 
# 
_pdbx_reference_entity_list.prd_id          PRD_001002 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001002 1 1  N  GLY 1  C  ARG 18 sing 1 ? ? ? 
PRD_001002 1 2  C  GLY 1  N  VAL 2  sing 1 ? ? ? 
PRD_001002 1 3  C  VAL 2  N  ABA 3  sing 1 ? ? ? 
PRD_001002 1 4  C  ABA 3  N  ARG 4  sing 1 ? ? ? 
PRD_001002 1 5  C  ARG 4  N  CYS 5  sing 1 ? ? ? 
PRD_001002 1 6  C  CYS 5  N  VAL 6  sing 1 ? ? ? 
PRD_001002 1 7  SG CYS 5  SG CYS 14 sing 1 ? ? ? 
PRD_001002 1 8  C  VAL 6  N  ABA 7  sing 1 ? ? ? 
PRD_001002 1 9  C  ABA 7  N  ARG 8  sing 1 ? ? ? 
PRD_001002 1 10 C  ARG 8  N  ARG 9  sing 1 ? ? ? 
PRD_001002 1 11 C  ARG 9  N  GLY 10 sing 1 ? ? ? 
PRD_001002 1 12 C  GLY 10 N  VAL 11 sing 1 ? ? ? 
PRD_001002 1 13 C  VAL 11 N  ABA 12 sing 1 ? ? ? 
PRD_001002 1 14 C  ABA 12 N  ARG 13 sing 1 ? ? ? 
PRD_001002 1 15 C  ARG 13 N  CYS 14 sing 1 ? ? ? 
PRD_001002 1 16 C  CYS 14 N  VAL 15 sing 1 ? ? ? 
PRD_001002 1 17 C  VAL 15 N  ABA 16 sing 1 ? ? ? 
PRD_001002 1 18 C  ABA 16 N  ARG 17 sing 1 ? ? ? 
PRD_001002 1 19 C  ARG 17 N  ARG 18 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001002 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001002 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001002 1 1  GLY GLY N Y 
PRD_001002 1 2  VAL VAL N Y 
PRD_001002 1 3  ABA ALA N Y 
PRD_001002 1 4  ARG ARG N Y 
PRD_001002 1 5  CYS CYS N Y 
PRD_001002 1 6  VAL VAL N Y 
PRD_001002 1 7  ABA ALA N Y 
PRD_001002 1 8  ARG ARG N Y 
PRD_001002 1 9  ARG ARG N Y 
PRD_001002 1 10 GLY GLY N Y 
PRD_001002 1 11 VAL VAL N Y 
PRD_001002 1 12 ABA ALA N Y 
PRD_001002 1 13 ARG ARG N Y 
PRD_001002 1 14 CYS CYS N Y 
PRD_001002 1 15 VAL VAL N Y 
PRD_001002 1 16 ABA ALA N Y 
PRD_001002 1 17 ARG ARG N Y 
PRD_001002 1 18 ARG ARG N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001002 2013-01-23 RCSB "Create molecule"    
PRD_001002 2013-02-27 RCSB "Initial release"    
PRD_001002 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001003
# 
_pdbx_reference_molecule.prd_id                       PRD_001003 
_pdbx_reference_molecule.name                         "desthiazolylmethyloxycarbonyl ritonavir" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antiviral 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H45 N5 O3 S" 
_pdbx_reference_molecule.formula_weight               579.796 
_pdbx_reference_molecule.chem_comp_id                 D0R 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3TJS 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001003 
_pdbx_reference_entity_subcomponents.seq            "019 VAL 015" 
_pdbx_reference_entity_subcomponents.chem_comp_id   D0R 
# 
_pdbx_reference_entity_list.prd_id          PRD_001003 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001003 1 1 N58 015 3 C VAL 2 sing 1 ? ? ? 
PRD_001003 1 2 C21 019 1 N VAL 2 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001003 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001003 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001003 1 1 019 ? N Y 
PRD_001003 1 2 VAL ? N Y 
PRD_001003 1 3 015 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001003 2012-09-11 RCSB "Create molecule" 
PRD_001003 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001005
# 
_pdbx_reference_molecule.prd_id                       PRD_001005 
_pdbx_reference_molecule.name                         "N-(BENZYLSULFONYL)-3-CYCLOHEXYL-D-ALANYL-N-[2-(AMINOMETHYL)-5-CHLOROBENZYL]-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H39 Cl N4 O4 S" 
_pdbx_reference_molecule.formula_weight               575.162 
_pdbx_reference_molecule.chem_comp_id                 S04 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3RMO 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001005 
_pdbx_reference_entity_subcomponents.seq            "PMS ZAL PRO 00T" 
_pdbx_reference_entity_subcomponents.chem_comp_id   S04 
# 
_pdbx_reference_entity_list.prd_id          PRD_001005 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001005 1 1 S PMS 1 N   ZAL 2 sing 1 ? ? ? 
PRD_001005 1 2 C ZAL 2 N   PRO 3 sing 1 ? ? ? 
PRD_001005 1 3 C PRO 3 N19 00T 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001005 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001005 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001005 1 1 PMS ?   N Y 
PRD_001005 1 2 ZAL ?   N Y 
PRD_001005 1 3 PRO PRO N Y 
PRD_001005 1 4 00T ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001005 2012-09-11 RCSB "Create molecule" 
PRD_001005 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001006
# 
_pdbx_reference_molecule.prd_id                       PRD_001006 
_pdbx_reference_molecule.name                         "[Aba5,7,12,14]BTD-2" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antimicrobial 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C82 H156 N36 O18 S2" 
_pdbx_reference_molecule.formula_weight               1998.476 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2M2S 
# 
_pdbx_reference_entity_list.prd_id          PRD_001006 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001006 1 1  N  GLY 1  C  ARG 18 sing 1 ? ? ? 
PRD_001006 1 2  C  GLY 1  N  VAL 2  sing 1 ? ? ? 
PRD_001006 1 3  C  VAL 2  N  CYS 3  sing 1 ? ? ? 
PRD_001006 1 4  C  CYS 3  N  ARG 4  sing 1 ? ? ? 
PRD_001006 1 5  SG CYS 3  SG CYS 16 sing 1 ? ? ? 
PRD_001006 1 6  C  ARG 4  N  ABA 5  sing 1 ? ? ? 
PRD_001006 1 7  C  ABA 5  N  VAL 6  sing 1 ? ? ? 
PRD_001006 1 8  C  VAL 6  N  ABA 7  sing 1 ? ? ? 
PRD_001006 1 9  C  ABA 7  N  ARG 8  sing 1 ? ? ? 
PRD_001006 1 10 C  ARG 8  N  ARG 9  sing 1 ? ? ? 
PRD_001006 1 11 C  ARG 9  N  GLY 10 sing 1 ? ? ? 
PRD_001006 1 12 C  GLY 10 N  VAL 11 sing 1 ? ? ? 
PRD_001006 1 13 C  VAL 11 N  ABA 12 sing 1 ? ? ? 
PRD_001006 1 14 C  ABA 12 N  ARG 13 sing 1 ? ? ? 
PRD_001006 1 15 C  ARG 13 N  ABA 14 sing 1 ? ? ? 
PRD_001006 1 16 C  ABA 14 N  VAL 15 sing 1 ? ? ? 
PRD_001006 1 17 C  VAL 15 N  CYS 16 sing 1 ? ? ? 
PRD_001006 1 18 C  CYS 16 N  ARG 17 sing 1 ? ? ? 
PRD_001006 1 19 C  ARG 17 N  ARG 18 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001006 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001006 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001006 1 1  GLY GLY N Y 
PRD_001006 1 2  VAL VAL N Y 
PRD_001006 1 3  CYS CYS N Y 
PRD_001006 1 4  ARG ARG N Y 
PRD_001006 1 5  ABA ALA N Y 
PRD_001006 1 6  VAL VAL N Y 
PRD_001006 1 7  ABA ALA N Y 
PRD_001006 1 8  ARG ARG N Y 
PRD_001006 1 9  ARG ARG N Y 
PRD_001006 1 10 GLY GLY N Y 
PRD_001006 1 11 VAL VAL N Y 
PRD_001006 1 12 ABA ALA N Y 
PRD_001006 1 13 ARG ARG N Y 
PRD_001006 1 14 ABA ALA N Y 
PRD_001006 1 15 VAL VAL N Y 
PRD_001006 1 16 CYS CYS N Y 
PRD_001006 1 17 ARG ARG N Y 
PRD_001006 1 18 ARG ARG N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001006 2013-01-23 RCSB "Create molecule"    
PRD_001006 2013-02-27 RCSB "Initial release"    
PRD_001006 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001008
# 
_pdbx_reference_molecule.prd_id                       PRD_001008 
_pdbx_reference_molecule.name                         "N~2~-(BENZYLSULFONYL)-D-ARGINYL-N-(4-CARBAMIMIDOYLBENZYL)GLYCINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H32 N8 O4 S" 
_pdbx_reference_molecule.formula_weight               516.616 
_pdbx_reference_molecule.chem_comp_id                 PMJ 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3PMJ 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001008 
_pdbx_reference_entity_subcomponents.seq            "PMS DAR GLY 00S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   PMJ 
# 
_pdbx_reference_entity_list.prd_id          PRD_001008 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001008 1 1 S   PMS 1 N DAR 2 sing 1 ? ? ? 
PRD_001008 1 2 N   GLY 3 C DAR 2 sing 1 ? ? ? 
PRD_001008 1 3 N23 00S 4 C GLY 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001008 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001008 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001008 1 1 PMS ? N Y 
PRD_001008 1 2 DAR ? N Y 
PRD_001008 1 3 GLY ? N Y 
PRD_001008 1 4 00S ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001008 2012-09-11 RCSB "Create molecule" 
PRD_001008 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001009
# 
_pdbx_reference_molecule.prd_id                       PRD_001009 
_pdbx_reference_molecule.name                         "[Aba3,5,7,12,14,16]BTD-2" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antimicrobial 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C84 H162 N36 O18" 
_pdbx_reference_molecule.formula_weight               1964.415 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2M2X 
# 
_pdbx_reference_entity_list.prd_id          PRD_001009 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001009 1 1  N GLY 1  C ARG 18 sing 1 ? ? ? 
PRD_001009 1 2  C GLY 1  N VAL 2  sing 1 ? ? ? 
PRD_001009 1 3  C VAL 2  N ABA 3  sing 1 ? ? ? 
PRD_001009 1 4  C ABA 3  N ARG 4  sing 1 ? ? ? 
PRD_001009 1 5  C ARG 4  N ABA 5  sing 1 ? ? ? 
PRD_001009 1 6  C ABA 5  N VAL 6  sing 1 ? ? ? 
PRD_001009 1 7  C VAL 6  N ABA 7  sing 1 ? ? ? 
PRD_001009 1 8  C ABA 7  N ARG 8  sing 1 ? ? ? 
PRD_001009 1 9  C ARG 8  N ARG 9  sing 1 ? ? ? 
PRD_001009 1 10 C ARG 9  N GLY 10 sing 1 ? ? ? 
PRD_001009 1 11 C GLY 10 N VAL 11 sing 1 ? ? ? 
PRD_001009 1 12 C VAL 11 N ABA 12 sing 1 ? ? ? 
PRD_001009 1 13 C ABA 12 N ARG 13 sing 1 ? ? ? 
PRD_001009 1 14 C ARG 13 N ABA 14 sing 1 ? ? ? 
PRD_001009 1 15 C ABA 14 N VAL 15 sing 1 ? ? ? 
PRD_001009 1 16 C VAL 15 N ABA 16 sing 1 ? ? ? 
PRD_001009 1 17 C ABA 16 N ARG 17 sing 1 ? ? ? 
PRD_001009 1 18 C ARG 17 N ARG 18 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001009 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001009 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001009 1 1  GLY GLY N Y 
PRD_001009 1 2  VAL VAL N Y 
PRD_001009 1 3  ABA ALA N Y 
PRD_001009 1 4  ARG ARG N Y 
PRD_001009 1 5  ABA ALA N Y 
PRD_001009 1 6  VAL VAL N Y 
PRD_001009 1 7  ABA ALA N Y 
PRD_001009 1 8  ARG ARG N Y 
PRD_001009 1 9  ARG ARG N Y 
PRD_001009 1 10 GLY GLY N Y 
PRD_001009 1 11 VAL VAL N Y 
PRD_001009 1 12 ABA ALA N Y 
PRD_001009 1 13 ARG ARG N Y 
PRD_001009 1 14 ABA ALA N Y 
PRD_001009 1 15 VAL VAL N Y 
PRD_001009 1 16 ABA ALA N Y 
PRD_001009 1 17 ARG ARG N Y 
PRD_001009 1 18 ARG ARG N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001009 2013-01-23 RCSB "Create molecule"    
PRD_001009 2013-02-27 RCSB "Initial release"    
PRD_001009 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001011
# 
_pdbx_reference_molecule.prd_id                       PRD_001011 
_pdbx_reference_molecule.name                         "(3S)-4-HYDROXY-3-{[(2S)-4-{[2-(2-METHYL-1H-BENZIMIDAZOL-1-YL)ETHYL]AMINO}-2-(1-METHYLETHYL)-4-OXOBUTANOYL]AMINO}BUTANOIC ACID" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "CASPASE inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H30 N4 O5" 
_pdbx_reference_molecule.formula_weight               418.487 
_pdbx_reference_molecule.chem_comp_id                 3NS 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3NS7 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001011 
_pdbx_reference_entity_subcomponents.seq            "02W 02X ASJ" 
_pdbx_reference_entity_subcomponents.chem_comp_id   3NS 
# 
_pdbx_reference_entity_list.prd_id          PRD_001011 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001011 1 1 C3 02X 2 N1 02W 1 sing 1 ? ? ? 
PRD_001011 1 2 N  ASJ 3 C7 02X 2 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001011 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001011 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001011 1 1 02W ? N Y 
PRD_001011 1 2 02X ? N Y 
PRD_001011 1 3 ASJ ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001011 2012-09-11 RCSB "Create molecule" 
PRD_001011 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001012
# 
_pdbx_reference_molecule.prd_id                       PRD_001012 
_pdbx_reference_molecule.name                         Pyrrhocoricin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antimicrobial 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C72 H120 N16 O18" 
_pdbx_reference_molecule.formula_weight               1497.820 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4HY9 
# 
_pdbx_reference_entity_list.prd_id          PRD_001012 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001012 1 1  C VAL 1  N ASP 2  sing 1 ? ? ? 
PRD_001012 1 2  C ASP 2  N LYS 3  sing 1 ? ? ? 
PRD_001012 1 3  C LYS 3  N LEU 4  sing 1 ? ? ? 
PRD_001012 1 4  C LEU 4  N TYR 5  sing 1 ? ? ? 
PRD_001012 1 5  C TYR 5  N ALC 6  sing 1 ? ? ? 
PRD_001012 1 6  C ALC 6  N ALC 7  sing 1 ? ? ? 
PRD_001012 1 7  C ALC 7  N PRO 8  sing 1 ? ? ? 
PRD_001012 1 8  C PRO 8  N ARG 9  sing 1 ? ? ? 
PRD_001012 1 9  C ARG 9  N PRO 10 sing 1 ? ? ? 
PRD_001012 1 10 C PRO 10 N THR 11 sing 1 ? ? ? 
PRD_001012 1 11 C THR 11 N THR 12 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001012 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         P37362 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001012 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001012 1 1  VAL VAL N N 
PRD_001012 1 2  ASP ASP N N 
PRD_001012 1 3  LYS LYS N N 
PRD_001012 1 4  LEU LEU N Y 
PRD_001012 1 5  TYR TYR N Y 
PRD_001012 1 6  ALC ALA N Y 
PRD_001012 1 7  ALC ALA N Y 
PRD_001012 1 8  PRO PRO N Y 
PRD_001012 1 9  ARG ARG N Y 
PRD_001012 1 10 PRO PRO N Y 
PRD_001012 1 11 THR THR N Y 
PRD_001012 1 12 THR THR N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001012 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 37000 
_pdbx_reference_entity_src_nat.organism_scientific   "Pyrrhocoris apterus" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001012 2013-01-24 RCSB "Create molecule" 
PRD_001012 2013-04-17 RCSB "Initial release" 
# 
data_PRD_001013
# 
_pdbx_reference_molecule.prd_id                       PRD_001013 
_pdbx_reference_molecule.name                         "N-acetyl-L-alanyl-L-alpha-aspartyl-L-valyl-N-[(2R)-1-carboxy-3-oxopropan-2-yl]-L-alaninamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H33 N5 O10" 
_pdbx_reference_molecule.formula_weight               515.514 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3R5J 
# 
_pdbx_reference_entity_list.prd_id          PRD_001013 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "Caspase-2 Inhibitor (ACE)ADVAD-CHO" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001013 1 1 C ACE 1 N ALA 2 sing 1 ? ? ? 
PRD_001013 1 2 C ALA 2 N ASP 3 sing 1 ? ? ? 
PRD_001013 1 3 C ASP 3 N VAL 4 sing 1 ? ? ? 
PRD_001013 1 4 C VAL 4 N ALA 5 sing 1 ? ? ? 
PRD_001013 1 5 C ALA 5 N ASA 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001013 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001013 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001013 1 1 ACE ? N Y 
PRD_001013 1 2 ALA ? N Y 
PRD_001013 1 3 ASP ? N Y 
PRD_001013 1 4 VAL ? N Y 
PRD_001013 1 5 ALA ? N Y 
PRD_001013 1 6 ASA ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001013 2012-09-11 RCSB "Create molecule"    
PRD_001013 2012-12-12 RCSB "Initial release"    
PRD_001013 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001014
# 
_pdbx_reference_molecule.prd_id                       PRD_001014 
_pdbx_reference_molecule.name                         APO-monomer 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antimicrobial 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C115 H198 N39 O24" 
_pdbx_reference_molecule.formula_weight               2511.050 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4EZP 
# 
_pdbx_reference_entity_list.prd_id          PRD_001014 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001014 1 1  C ALC 1  N ARG 2  sing 1 ? ? ? 
PRD_001014 1 2  C ARG 2  N PRO 3  sing 1 ? ? ? 
PRD_001014 1 3  C PRO 3  N ASP 4  sing 1 ? ? ? 
PRD_001014 1 4  C ASP 4  N LYS 5  sing 1 ? ? ? 
PRD_001014 1 5  C LYS 5  N PRO 6  sing 1 ? ? ? 
PRD_001014 1 6  C PRO 6  N ARG 7  sing 1 ? ? ? 
PRD_001014 1 7  C ARG 7  N PRO 8  sing 1 ? ? ? 
PRD_001014 1 8  C PRO 8  N TYR 9  sing 1 ? ? ? 
PRD_001014 1 9  C TYR 9  N LEU 10 sing 1 ? ? ? 
PRD_001014 1 10 C LEU 10 N PRO 11 sing 1 ? ? ? 
PRD_001014 1 11 C PRO 11 N ARG 12 sing 1 ? ? ? 
PRD_001014 1 12 C ARG 12 N PRO 13 sing 1 ? ? ? 
PRD_001014 1 13 C PRO 13 N ARG 14 sing 1 ? ? ? 
PRD_001014 1 14 C ARG 14 N PRO 15 sing 1 ? ? ? 
PRD_001014 1 15 C PRO 15 N PRO 16 sing 1 ? ? ? 
PRD_001014 1 16 C PRO 16 N ARG 17 sing 1 ? ? ? 
PRD_001014 1 17 C ARG 17 N PRO 18 sing 1 ? ? ? 
PRD_001014 1 18 C PRO 18 N VAL 19 sing 1 ? ? ? 
PRD_001014 1 19 C VAL 19 N ARG 20 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001014 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001014 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001014 1 1  ALC ALA N N 
PRD_001014 1 2  ARG ARG N N 
PRD_001014 1 3  PRO PRO N N 
PRD_001014 1 4  ASP ASP N N 
PRD_001014 1 5  LYS LYS N N 
PRD_001014 1 6  PRO PRO N N 
PRD_001014 1 7  ARG ARG N Y 
PRD_001014 1 8  PRO PRO N Y 
PRD_001014 1 9  TYR TYR N Y 
PRD_001014 1 10 LEU LEU N Y 
PRD_001014 1 11 PRO PRO N Y 
PRD_001014 1 12 ARG ARG N Y 
PRD_001014 1 13 PRO PRO N Y 
PRD_001014 1 14 ARG ARG N N 
PRD_001014 1 15 PRO PRO N N 
PRD_001014 1 16 PRO PRO N N 
PRD_001014 1 17 ARG ARG N N 
PRD_001014 1 18 PRO PRO N N 
PRD_001014 1 19 VAL VAL N N 
PRD_001014 1 20 ARG ARG N N 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001014 2013-01-24 RCSB "Create molecule"    
PRD_001014 2013-04-17 RCSB "Initial release"    
PRD_001014 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001016
# 
_pdbx_reference_molecule.prd_id                       PRD_001016 
_pdbx_reference_molecule.name                         Glidobactin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H46 N4 O6" 
_pdbx_reference_molecule.formula_weight               522.677 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4FZG 
# 
_pdbx_reference_entity_list.prd_id          PRD_001016 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001016 1 1 C  MH9 1 N THR 2 sing 1 ? ? ? 
PRD_001016 1 2 C  THR 2 N LYO 3 sing 1 ? ? ? 
PRD_001016 1 3 C  LYO 3 N 0W6 4 sing 1 ? ? ? 
PRD_001016 1 4 NZ LYO 3 C 0W6 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001016 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001016 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001016 1 1 MH9 ?   N Y 
PRD_001016 1 2 THR THR N Y 
PRD_001016 1 3 LYO ?   N Y 
PRD_001016 1 4 0W6 ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001016 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 559292 
_pdbx_reference_entity_src_nat.organism_scientific   "Saccharomyces cerevisiae" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001016 2013-01-25 RCSB "Create molecule"    
PRD_001016 2013-02-06 RCSB "Initial release"    
PRD_001016 2013-06-03 RCSB "Other modification" 
PRD_001016 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001017
# 
_pdbx_reference_molecule.prd_id                       PRD_001017 
_pdbx_reference_molecule.name                         "(S)-N-((1R,2S)-1-((2R,3R)-3-BENZYLOXIRAN-2-YL)-1-HYDROXY-3-PHENYLPROPAN-2-YL)-3-METHYL-2-(2-PHENOXYACETAMIDO)BUTANAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H36 N2 O5" 
_pdbx_reference_molecule.formula_weight               516.628 
_pdbx_reference_molecule.chem_comp_id                 076 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3TOF 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001017 
_pdbx_reference_entity_subcomponents.seq            "06Y VAL 070" 
_pdbx_reference_entity_subcomponents.chem_comp_id   076 
# 
_pdbx_reference_entity_list.prd_id          PRD_001017 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001017 1 1 C VAL 2 N2 070 3 sing 1 ? ? ? 
PRD_001017 1 2 N VAL 2 C1 06Y 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001017 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001017 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001017 1 1 06Y ? N Y 
PRD_001017 1 2 VAL ? N Y 
PRD_001017 1 3 070 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001017 2012-09-11 RCSB "Create molecule" 
PRD_001017 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001018
# 
_pdbx_reference_molecule.prd_id                       PRD_001018 
_pdbx_reference_molecule.name                         "Cepafungin I" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H48 N4 O6" 
_pdbx_reference_molecule.formula_weight               536.704 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4FZC 
# 
_pdbx_reference_entity_list.prd_id          PRD_001018 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001018 1 1 C2 0W5 1 N THR 2 sing 1 ? ? ? 
PRD_001018 1 2 C  THR 2 N LYO 3 sing 1 ? ? ? 
PRD_001018 1 3 C  LYO 3 N 0W6 4 sing 1 ? ? ? 
PRD_001018 1 4 NZ LYO 3 C 0W6 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001018 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001018 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001018 1 1 0W5 ?   N Y 
PRD_001018 1 2 THR THR N Y 
PRD_001018 1 3 LYO ?   N Y 
PRD_001018 1 4 0W6 ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001018 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 559292 
_pdbx_reference_entity_src_nat.organism_scientific   "Saccharomyces cerevisiae" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001018 2013-01-25 RCSB "Create molecule"    
PRD_001018 2013-02-06 RCSB "Initial release"    
PRD_001018 2013-06-03 RCSB "Other modification" 
PRD_001018 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001019
# 
_pdbx_reference_molecule.prd_id                       PRD_001019 
_pdbx_reference_molecule.name                         "(S)-N-((2S,3S,4R,5R)-4-AMINO-3,5-DIHYDROXY-1,6-DIPHENYLHEXAN-2-YL)-3-METHYL-2-(2-PHENOXYACETAMIDO)BUTANAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H39 N3 O5" 
_pdbx_reference_molecule.formula_weight               533.658 
_pdbx_reference_molecule.chem_comp_id                 079 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "EPOXYDIC INHIBITOR" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3TOG 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001019 
_pdbx_reference_entity_subcomponents.seq            "06Y VAL 078" 
_pdbx_reference_entity_subcomponents.chem_comp_id   079 
# 
_pdbx_reference_entity_list.prd_id          PRD_001019 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001019 1 1 C VAL 2 N2 078 3 sing 1 ? ? ? 
PRD_001019 1 2 N VAL 2 C1 06Y 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001019 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001019 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001019 1 1 06Y ? N Y 
PRD_001019 1 2 VAL ? N Y 
PRD_001019 1 3 078 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001019 2012-09-11 RCSB "Create molecule" 
PRD_001019 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001020
# 
_pdbx_reference_molecule.prd_id                       PRD_001020 
_pdbx_reference_molecule.name                         GDC0152 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H34 N6 O3 S" 
_pdbx_reference_molecule.formula_weight               498.641 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3UW4 
# 
_pdbx_reference_entity_list.prd_id          PRD_001020 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "GDC0152 INHIBITOR OF CIAP1 BIR3" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001020 1 1 C MAA 1 N   CHG 2 sing 1 ? ? ? 
PRD_001020 1 2 C CHG 2 N   PRO 3 sing 1 ? ? ? 
PRD_001020 1 3 C PRO 3 N25 0DQ 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001020 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001020 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001020 1 1 MAA ? N Y 
PRD_001020 1 2 CHG ? N Y 
PRD_001020 1 3 PRO ? N Y 
PRD_001020 1 4 0DQ ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001020 2012-09-11 RCSB "Create molecule"    
PRD_001020 2012-12-12 RCSB "Initial release"    
PRD_001020 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001021
# 
_pdbx_reference_molecule.prd_id                       PRD_001021 
_pdbx_reference_molecule.name                         "INHIBITOR ARC-670" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C53 H103 N31 O8" 
_pdbx_reference_molecule.formula_weight               1302.588 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3AGM 
# 
_pdbx_reference_entity_list.prd_id          PRD_001021 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001021 1 1 NDM 69P 1 C2 OCE 2 sing 1 ? ? ? 
PRD_001021 1 2 C   OCE 2 N  DAR 3 sing 1 ? ? ? 
PRD_001021 1 3 C   DAR 3 N  DAR 4 sing 1 ? ? ? 
PRD_001021 1 4 C   DAR 4 N  DAR 5 sing 1 ? ? ? 
PRD_001021 1 5 C   DAR 5 N  DAR 6 sing 1 ? ? ? 
PRD_001021 1 6 C   DAR 6 N  DAR 7 sing 1 ? ? ? 
PRD_001021 1 7 C   DAR 7 N  DAR 8 sing 1 ? ? ? 
PRD_001021 1 8 C   DAR 8 N  NH2 9 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001021 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001021 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001021 1 1 69P ? N Y 
PRD_001021 1 2 OCE ? N Y 
PRD_001021 1 3 DAR ? N Y 
PRD_001021 1 4 DAR ? N Y 
PRD_001021 1 5 DAR ? N Y 
PRD_001021 1 6 DAR ? N Y 
PRD_001021 1 7 DAR ? N Y 
PRD_001021 1 8 DAR ? N Y 
PRD_001021 1 9 NH2 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001021 2012-09-11 RCSB "Create molecule"    
PRD_001021 2012-12-12 RCSB "Initial release"    
PRD_001021 2013-06-03 RCSB "Other modification" 
PRD_001021 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001022
# 
_pdbx_reference_molecule.prd_id                       PRD_001022 
_pdbx_reference_molecule.name                         "(2S,5S,8S,13S,16Z)-5-benzyl-2-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-8-{3-[(pyrazin-2-ylcarbonyl)amino]propyl}-1,4,7,10,14-pentaazacyclooctadec-16-ene-13-carboxylic acid" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H46 N8 O8" 
_pdbx_reference_molecule.formula_weight               718.799 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3U4W 
# 
_pdbx_reference_entity_list.prd_id          PRD_001022 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001022 1 1 C  FUM 1 N  ALC 2 sing 1 ? ? ? 
PRD_001022 1 2 C6 FUM 1 N  DAB 5 sing 1 ? ? ? 
PRD_001022 1 3 C  ALC 2 N  PHE 3 sing 1 ? ? ? 
PRD_001022 1 4 C  PHE 3 N  08M 4 sing 1 ? ? ? 
PRD_001022 1 5 C  08M 4 ND DAB 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001022 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001022 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001022 1 1 FUM ? N Y 
PRD_001022 1 2 ALC ? N Y 
PRD_001022 1 3 PHE ? N Y 
PRD_001022 1 4 08M ? N Y 
PRD_001022 1 5 DAB ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001022 2012-09-11 RCSB "Create molecule"    
PRD_001022 2012-12-12 RCSB "Initial release"    
PRD_001022 2013-06-03 RCSB "Other modification" 
PRD_001022 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001023
# 
_pdbx_reference_molecule.prd_id                       PRD_001023 
_pdbx_reference_molecule.name                         "(2S,5S,8S,13S,16Z)-5-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-2-(3-phenylprop-2-en-1-yl)-8-{3-[(pyrazin-2-ylcarbonyl)amino]propyl}-1,4,7,10,14-pentaazacyclooctadec-16-ene-13-carboxamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C38 H49 N9 O7" 
_pdbx_reference_molecule.formula_weight               743.852 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3U51 
# 
_pdbx_reference_entity_list.prd_id          PRD_001023 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001023 1 1 C  FUM 1 N  DAB 5 sing 1 ? ? ? 
PRD_001023 1 2 C6 FUM 1 N  P4E 2 sing 1 ? ? ? 
PRD_001023 1 3 C  P4E 2 N  ALC 3 sing 1 ? ? ? 
PRD_001023 1 4 C  ALC 3 N  08M 4 sing 1 ? ? ? 
PRD_001023 1 5 C  08M 4 ND DAB 5 sing 1 ? ? ? 
PRD_001023 1 6 C  DAB 5 N  NH2 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001023 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001023 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001023 1 1 FUM ? N Y 
PRD_001023 1 2 P4E ? N Y 
PRD_001023 1 3 ALC ? N Y 
PRD_001023 1 4 08M ? N Y 
PRD_001023 1 5 DAB ? N Y 
PRD_001023 1 6 NH2 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001023 2012-09-11 RCSB "Create molecule"    
PRD_001023 2012-12-12 RCSB "Initial release"    
PRD_001023 2013-06-03 RCSB "Other modification" 
PRD_001023 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001025
# 
_pdbx_reference_molecule.prd_id                       PRD_001025 
_pdbx_reference_molecule.name                         "Trypsin inhibitor 1" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C67 H107 N18 O19 S2" 
_pdbx_reference_molecule.formula_weight               1532.806 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4HGC 
# 
_pdbx_reference_entity_list.prd_id          PRD_001025 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001025 1 1  C  GLY 1  N  ARG 2  sing 1 ? ? ? 
PRD_001025 1 2  C  ARG 2  N  CYS 3  sing 1 ? ? ? 
PRD_001025 1 3  C  CYS 3  N  THR 4  sing 1 ? ? ? 
PRD_001025 1 4  SG CYS 3  SG CYS 11 sing 1 ? ? ? 
PRD_001025 1 5  C  THR 4  N  NLY 5  sing 1 ? ? ? 
PRD_001025 1 6  C  NLY 5  N  SER 6  sing 1 ? ? ? 
PRD_001025 1 7  C  SER 6  N  ILE 7  sing 1 ? ? ? 
PRD_001025 1 8  C  ILE 7  N  PRO 8  sing 1 ? ? ? 
PRD_001025 1 9  C  PRO 8  N  PRO 9  sing 1 ? ? ? 
PRD_001025 1 10 C  PRO 9  N  ILE 10 sing 1 ? ? ? 
PRD_001025 1 11 C  ILE 10 N  CYS 11 sing 1 ? ? ? 
PRD_001025 1 12 C  CYS 11 N  PHE 12 sing 1 ? ? ? 
PRD_001025 1 13 C  PHE 12 N  PRO 13 sing 1 ? ? ? 
PRD_001025 1 14 C  PRO 13 N  ASP 14 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001025 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         Q4GWU5 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001025 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001025 1 1  GLY GLY N Y 
PRD_001025 1 2  ARG ARG N Y 
PRD_001025 1 3  CYS CYS N Y 
PRD_001025 1 4  THR THR N Y 
PRD_001025 1 5  NLY GLY N Y 
PRD_001025 1 6  SER SER N Y 
PRD_001025 1 7  ILE ILE N Y 
PRD_001025 1 8  PRO PRO N Y 
PRD_001025 1 9  PRO PRO N Y 
PRD_001025 1 10 ILE ILE N Y 
PRD_001025 1 11 CYS CYS N Y 
PRD_001025 1 12 PHE PHE N Y 
PRD_001025 1 13 PRO PRO N N 
PRD_001025 1 14 ASP ASP N N 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001025 2013-01-25 RCSB "Create molecule"    
PRD_001025 2013-09-30 RCSB "Modify type"        
PRD_001025 2013-10-09 RCSB "Initial release"    
PRD_001025 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001030
# 
_pdbx_reference_molecule.prd_id                       PRD_001030 
_pdbx_reference_molecule.name                         "ACE-PHE-GLU-LYS-ALA chloromethylketone INHIBITOR" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H41 Cl N5 O7" 
_pdbx_reference_molecule.formula_weight               571.086 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3I74 
# 
_pdbx_reference_entity_list.prd_id          PRD_001030 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001030 1 1 C ACE 1 N  PHE 2 sing 1 ? ? ? 
PRD_001030 1 2 C PHE 2 N  GLU 3 sing 1 ? ? ? 
PRD_001030 1 3 C GLU 3 N  LYS 4 sing 1 ? ? ? 
PRD_001030 1 4 C LYS 4 N  ALV 5 sing 1 ? ? ? 
PRD_001030 1 5 C ALV 5 C1 0QE 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001030 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001030 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001030 1 1 ACE ?   N Y 
PRD_001030 1 2 PHE PHE N Y 
PRD_001030 1 3 GLU GLU N Y 
PRD_001030 1 4 LYS LYS N Y 
PRD_001030 1 5 ALV ALA N Y 
PRD_001030 1 6 0QE ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001030 2012-09-11 RCSB "Create molecule"    
PRD_001030 2012-12-12 RCSB "Initial release"    
PRD_001030 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001031
# 
_pdbx_reference_molecule.prd_id                       PRD_001031 
_pdbx_reference_molecule.name                         "Microcystin-LR (MCLR) bound form" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Toxin 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C49 H77 N10 O12" 
_pdbx_reference_molecule.formula_weight               998.195 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4I5N 
# 
_pdbx_reference_entity_list.prd_id          PRD_001031 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001031 1 1 N  DAL 1 C MAA 7 sing 1 ? ? ? 
PRD_001031 1 2 C  DAL 1 N LEU 2 sing 1 ? ? ? 
PRD_001031 1 3 C  LEU 2 N ACB 3 sing 1 ? ? ? 
PRD_001031 1 4 CG ACB 3 N ARG 4 sing 1 ? ? ? 
PRD_001031 1 5 C  ARG 4 N 1ZN 5 sing 1 ? ? ? 
PRD_001031 1 6 C  1ZN 5 N FGA 6 sing 1 ? ? ? 
PRD_001031 1 7 CD FGA 6 N MAA 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001031 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001031 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001031 1 1 DAL ALA N Y 
PRD_001031 1 2 LEU LEU N Y 
PRD_001031 1 3 ACB ASN N Y 
PRD_001031 1 4 ARG ARG N Y 
PRD_001031 1 5 1ZN ALA N Y 
PRD_001031 1 6 FGA GLU N Y 
PRD_001031 1 7 MAA ALA N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001031 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1126 
_pdbx_reference_entity_src_nat.organism_scientific   "Microcystis aeruginosa" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001031 2013-01-28 RCSB "Create molecule"    
PRD_001031 2013-05-08 RCSB "Initial release"    
PRD_001031 2013-06-03 RCSB "Other modification" 
PRD_001031 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001032
# 
_pdbx_reference_molecule.prd_id                       PRD_001032 
_pdbx_reference_molecule.name                         "[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-DIONYL]-ISOLEUCYL-PROLINE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H31 N3 O6" 
_pdbx_reference_molecule.formula_weight               385.455 
_pdbx_reference_molecule.chem_comp_id                 074 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3QSD 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001032 
_pdbx_reference_entity_subcomponents.seq            "3CN LMR ILE PRO" 
_pdbx_reference_entity_subcomponents.chem_comp_id   074 
# 
_pdbx_reference_entity_list.prd_id          PRD_001032 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001032 1 1 ND 3CN 1 C1 LMR 2 sing 1 ? ? ? 
PRD_001032 1 2 C4 LMR 2 N  ILE 3 sing 1 ? ? ? 
PRD_001032 1 3 C  ILE 3 N  PRO 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001032 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001032 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001032 1 1 3CN ?   N Y 
PRD_001032 1 2 LMR ?   N Y 
PRD_001032 1 3 ILE ILE N Y 
PRD_001032 1 4 PRO PRO N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001032 2012-09-11 RCSB "Create molecule" 
PRD_001032 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001037
# 
_pdbx_reference_molecule.prd_id                       PRD_001037 
_pdbx_reference_molecule.name                         "N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H68 N10 O10" 
_pdbx_reference_molecule.formula_weight               800.986 
_pdbx_reference_molecule.chem_comp_id                 KVS 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3NWX 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001037 
_pdbx_reference_entity_subcomponents.seq            "ACE THR ILE NLH GLN ARG NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   KVS 
# 
_pdbx_reference_entity_list.prd_id          PRD_001037 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001037 1 1 N THR 2 C ACE 1 sing 1 ? ? ? 
PRD_001037 1 2 C THR 2 N ILE 3 sing 1 ? ? ? 
PRD_001037 1 3 N NLH 4 C ILE 3 sing 1 ? ? ? 
PRD_001037 1 4 C NLH 4 N GLN 5 sing 1 ? ? ? 
PRD_001037 1 5 C GLN 5 N ARG 6 sing 1 ? ? ? 
PRD_001037 1 6 C ARG 6 N NH2 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001037 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001037 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001037 1 1 ACE ? N Y 
PRD_001037 1 2 THR ? N Y 
PRD_001037 1 3 ILE ? N Y 
PRD_001037 1 4 NLH ? N Y 
PRD_001037 1 5 GLN ? N Y 
PRD_001037 1 6 ARG ? N Y 
PRD_001037 1 7 NH2 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001037 2012-09-11 RCSB "Create molecule"    
PRD_001037 2012-12-12 RCSB "Initial release"    
PRD_001037 2019-07-25 RCSB "Other modification" 
# 
data_PRD_001038
# 
_pdbx_reference_molecule.prd_id                       PRD_001038 
_pdbx_reference_molecule.name                         "3-[[(2S)-2-[[[(2S)-2-[[(2S)-2-[[(2S)-2-AZANYL-3-(1H-1,2,3,4-TETRAZOL-5-YLCARBONYLAMINO)PROPANOYL]AMINO]-3-METHYL-BUTANOYL]AMINO]-4-METHYL-PENTANOYL]AMINO]METHYL]-2-HYDROXY-4-PHENYL-BUTANOYL]AMINO]BENZOIC ACID" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C34 H46 N10 O8" 
_pdbx_reference_molecule.formula_weight               722.791 
_pdbx_reference_molecule.chem_comp_id                 038 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3KYR 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001038 
_pdbx_reference_entity_subcomponents.seq            "35Y VAL LEU 22P GAB" 
_pdbx_reference_entity_subcomponents.chem_comp_id   038 
# 
_pdbx_reference_entity_list.prd_id          PRD_001038 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001038 1 1 C   35Y 1 N  VAL 2 sing 1 ? ? ? 
PRD_001038 1 2 C   VAL 2 N  LEU 3 sing 1 ? ? ? 
PRD_001038 1 3 C   LEU 3 N9 22P 4 sing 1 ? ? ? 
PRD_001038 1 4 C29 22P 4 N3 GAB 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001038 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001038 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001038 1 1 35Y ? N Y 
PRD_001038 1 2 VAL ? N Y 
PRD_001038 1 3 LEU ? N Y 
PRD_001038 1 4 22P ? N Y 
PRD_001038 1 5 GAB ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001038 2012-09-11 RCSB "Create molecule" 
PRD_001038 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001039
# 
_pdbx_reference_molecule.prd_id                       PRD_001039 
_pdbx_reference_molecule.name                         "BICYCLIC PEPTIDE INHIBITOR UK504" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C55 H94 N23 O16 S4" 
_pdbx_reference_molecule.formula_weight               1461.739 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "BICYCLIC PEPTIDE INHIBITOR UK504" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4GLY 
# 
_pdbx_reference_entity_list.prd_id          PRD_001039 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001039 1 1  C  CYS 1  N  CYS 2  sing 1 ? ? ? 
PRD_001039 1 2  SG CYS 1  SG CYS 12 sing 1 ? ? ? 
PRD_001039 1 3  C  CYS 2  N  LEU 3  sing 1 ? ? ? 
PRD_001039 1 4  SG CYS 2  SG CYS 7  sing 1 ? ? ? 
PRD_001039 1 5  C  LEU 3  N  GLY 4  sing 1 ? ? ? 
PRD_001039 1 6  C  GLY 4  N  ARG 5  sing 1 ? ? ? 
PRD_001039 1 7  C  ARG 5  N  GLY 6  sing 1 ? ? ? 
PRD_001039 1 8  C  GLY 6  N  CYS 7  sing 1 ? ? ? 
PRD_001039 1 9  C  CYS 7  N  GLU 8  sing 1 ? ? ? 
PRD_001039 1 10 C  GLU 8  N  ASN 9  sing 1 ? ? ? 
PRD_001039 1 11 C  ASN 9  N  HIS 10 sing 1 ? ? ? 
PRD_001039 1 12 C  HIS 10 N  ARG 11 sing 1 ? ? ? 
PRD_001039 1 13 C  ARG 11 N  CYS 12 sing 1 ? ? ? 
PRD_001039 1 14 C  CYS 12 N  LEU 13 sing 1 ? ? ? 
PRD_001039 1 15 C  LEU 13 N  NH2 14 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001039 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001039 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001039 1 1  CYS CYS N Y 
PRD_001039 1 2  CYS CYS N Y 
PRD_001039 1 3  LEU LEU N Y 
PRD_001039 1 4  GLY GLY N Y 
PRD_001039 1 5  ARG ARG N Y 
PRD_001039 1 6  GLY GLY N Y 
PRD_001039 1 7  CYS CYS N Y 
PRD_001039 1 8  GLU GLU N Y 
PRD_001039 1 9  ASN ASN N Y 
PRD_001039 1 10 HIS HIS N Y 
PRD_001039 1 11 ARG ARG N Y 
PRD_001039 1 12 CYS CYS N Y 
PRD_001039 1 13 LEU LEU N Y 
PRD_001039 1 14 NH2 ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001039 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 32630 
_pdbx_reference_entity_src_nat.organism_scientific   Synthetic 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001039 2013-01-28 RCSB "Create molecule"    
PRD_001039 2013-05-15 RCSB "Initial release"    
PRD_001039 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001041
# 
_pdbx_reference_molecule.prd_id                       PRD_001041 
_pdbx_reference_molecule.name                         "TMC-95A mimic ligand yCP:4e" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C61 H83 N9 O10" 
_pdbx_reference_molecule.formula_weight               1102.366 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4JSQ 
# 
_pdbx_reference_entity_list.prd_id          PRD_001041 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 8" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001041 1 1 C ACA 1 N ACA 2 sing 1 ? ? ? 
PRD_001041 1 2 C ACA 2 N ACA 3 sing 1 ? ? ? 
PRD_001041 1 3 C ACA 3 N ACA 4 sing 1 ? ? ? 
PRD_001041 1 4 C ACA 4 N TY5 5 sing 1 ? ? ? 
PRD_001041 1 5 C TY5 5 N ALA 6 sing 1 ? ? ? 
PRD_001041 1 6 C ALA 6 N RE0 7 sing 1 ? ? ? 
PRD_001041 1 7 C RE0 7 N ABN 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001041 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001041 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001041 1 1 ACA ?   N N 
PRD_001041 1 2 ACA ?   N N 
PRD_001041 1 3 ACA ?   N N 
PRD_001041 1 4 ACA ?   N Y 
PRD_001041 1 5 TY5 TYR N Y 
PRD_001041 1 6 ALA ALA N Y 
PRD_001041 1 7 RE0 TRP N Y 
PRD_001041 1 8 ABN ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001041 2013-04-17 PDBJ "Create molecule"    
PRD_001041 2013-05-01 RCSB "Initial release"    
PRD_001041 2013-06-03 RCSB "Other modification" 
PRD_001041 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001043
# 
_pdbx_reference_molecule.prd_id                       PRD_001043 
_pdbx_reference_molecule.name                         N-pentylpantothenamide 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Non-polymer 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Antibiotic, Antimicrobial" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C14 H28 N2 O4" 
_pdbx_reference_molecule.formula_weight               288.383 
_pdbx_reference_molecule.chem_comp_id                 PN4 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4F7W 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001043 
_pdbx_reference_entity_subcomponents.seq            "PAF BAL AML" 
_pdbx_reference_entity_subcomponents.chem_comp_id   PN4 
# 
_pdbx_reference_entity_list.prd_id          PRD_001043 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001043 1 1 C1 PAF 1 N  BAL 2 sing 1 ? ? ? 
PRD_001043 1 2 C  BAL 2 N1 AML 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001043 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001043 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001043 1 1 PAF ? N Y 
PRD_001043 1 2 BAL ? N Y 
PRD_001043 1 3 AML ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001043 2013-01-29 RCSB "Create molecule" 
PRD_001043 2013-04-10 RCSB "Initial release" 
# 
data_PRD_001044
# 
_pdbx_reference_molecule.prd_id                       PRD_001044 
_pdbx_reference_molecule.name                         "TMC-95A mimic ligand yCP:3a" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C60 H80 N8 O11" 
_pdbx_reference_molecule.formula_weight               1089.324 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4JSU 
# 
_pdbx_reference_entity_list.prd_id          PRD_001044 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 8" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001044 1 1 C BOC 1 N ACA 2 sing 1 ? ? ? 
PRD_001044 1 2 C ACA 2 N ACA 3 sing 1 ? ? ? 
PRD_001044 1 3 C ACA 3 N ACA 4 sing 1 ? ? ? 
PRD_001044 1 4 C ACA 4 N TY5 5 sing 1 ? ? ? 
PRD_001044 1 5 C TY5 5 N ALA 6 sing 1 ? ? ? 
PRD_001044 1 6 C ALA 6 N RE0 7 sing 1 ? ? ? 
PRD_001044 1 7 C RE0 7 N ABN 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001044 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001044 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001044 1 1 BOC ?   N N 
PRD_001044 1 2 ACA ?   N N 
PRD_001044 1 3 ACA ?   N N 
PRD_001044 1 4 ACA ?   N Y 
PRD_001044 1 5 TY5 TYR N Y 
PRD_001044 1 6 ALA ALA N Y 
PRD_001044 1 7 RE0 TRP N Y 
PRD_001044 1 8 ABN ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001044 2013-04-17 PDBJ "Create molecule"    
PRD_001044 2013-05-01 RCSB "Initial release"    
PRD_001044 2013-06-03 RCSB "Other modification" 
PRD_001044 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001045
# 
_pdbx_reference_molecule.prd_id                       PRD_001045 
_pdbx_reference_molecule.name                         "TMC-95A mimic ligand yCP:4a fragment P" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C43 H47 N5 O9" 
_pdbx_reference_molecule.formula_weight               777.861 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4JT0 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_001045 1 1 polymer     "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 4" 
PRD_001045 2 2 non-polymer 0L1                                     
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_001045 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "hexanedioic acid" 
_pdbx_reference_entity_nonpoly.chem_comp_id    0L1 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_link.prd_id              PRD_001045 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    1 
_pdbx_reference_entity_link.comp_id_1           TY5 
_pdbx_reference_entity_link.atom_id_1           N 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    ? 
_pdbx_reference_entity_link.comp_id_2           0L1 
_pdbx_reference_entity_link.atom_id_2           C2 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             ? 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001045 1 1 C TY5 1 N ALA 2 sing 1 ? ? ? 
PRD_001045 1 2 C ALA 2 N RE0 3 sing 1 ? ? ? 
PRD_001045 1 3 C RE0 3 N ABN 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001045 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001045 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001045 1 1 TY5 TYR N Y 
PRD_001045 1 2 ALA ALA N Y 
PRD_001045 1 3 RE0 TRP N Y 
PRD_001045 1 4 ABN ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001045 2013-04-19 PDBJ "Create molecule"       
PRD_001045 2013-04-21 PDBJ "Modify representation" 
PRD_001045 2013-05-01 RCSB "Initial release"       
PRD_001045 2013-05-29 PDBJ "Modify molecule name"  
PRD_001045 2013-06-03 RCSB "Other modification"    
# 
data_PRD_001046
# 
_pdbx_reference_molecule.prd_id                       PRD_001046 
_pdbx_reference_molecule.name                         "N-(BENZYLSULFONYL)-O-TERT-BUTYL-D-SERYL-N-(4-CARBAMIMIDOYLBENZYL)GLYCINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Trypsin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H33 N5 O5 S" 
_pdbx_reference_molecule.formula_weight               503.614 
_pdbx_reference_molecule.chem_comp_id                 TFN 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3PM3 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001046 
_pdbx_reference_entity_subcomponents.seq            "PMS 3PM GLY 00S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   TFN 
# 
_pdbx_reference_entity_list.prd_id          PRD_001046 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001046 1 1 S   PMS 1 N 3PM 2 sing 1 ? ? ? 
PRD_001046 1 2 N   GLY 3 C 3PM 2 sing 1 ? ? ? 
PRD_001046 1 3 N23 00S 4 C GLY 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001046 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001046 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001046 1 1 PMS ? N Y 
PRD_001046 1 2 3PM ? N Y 
PRD_001046 1 3 GLY ? N Y 
PRD_001046 1 4 00S ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001046 2012-09-12 RCSB "Create molecule" 
PRD_001046 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001047
# 
_pdbx_reference_molecule.prd_id                       PRD_001047 
_pdbx_reference_molecule.name                         "(2E,4E)-N-[(2R,3S)-1-{[(5S,8S,9E)-2,7-dioxo-5-(propan-2-yl)-1,6-diazacyclododec-9-en-8-yl]amino}-3-hydroxy-1-oxobutan-2-yl]dodeca-2,4-dienamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H48 N4 O5" 
_pdbx_reference_molecule.formula_weight               532.715 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4GK7 
# 
_pdbx_reference_entity_list.prd_id          PRD_001047 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "SYRINGOLIN-GLIDOBACTIN CHIMERA" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001047 1 1 C  MH9 1 N THR 2 sing 1 ? ? ? 
PRD_001047 1 2 C  THR 2 N LYH 3 sing 1 ? ? ? 
PRD_001047 1 3 C  LYH 3 N 0JT 4 sing 1 ? ? ? 
PRD_001047 1 4 NZ LYH 3 C 0JT 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001047 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001047 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001047 1 1 MH9 ? N Y 
PRD_001047 1 2 THR ? N Y 
PRD_001047 1 3 LYH ? N Y 
PRD_001047 1 4 0JT ? N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001047 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 32630 
_pdbx_reference_entity_src_nat.organism_scientific   "synthetic construct" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001047 2012-09-12 RCSB "Create molecule"    
PRD_001047 2012-12-12 RCSB "Initial release"    
PRD_001047 2013-06-03 RCSB "Other modification" 
PRD_001047 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001048
# 
_pdbx_reference_molecule.prd_id                       PRD_001048 
_pdbx_reference_molecule.name                         "N-acetyl-L-valyl-L-alpha-aspartyl-L-valyl-N-[(2R)-1-carboxy-3-oxopropan-2-yl]-L-alaninamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H37 N5 O10" 
_pdbx_reference_molecule.formula_weight               543.567 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3R6G 
# 
_pdbx_reference_entity_list.prd_id          PRD_001048 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "Peptide Inhibitor (ACE)VDVAD-CHO" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001048 1 1 C ACE 1 N VAL 2 sing 1 ? ? ? 
PRD_001048 1 2 C VAL 2 N ASP 3 sing 1 ? ? ? 
PRD_001048 1 3 C ASP 3 N VAL 4 sing 1 ? ? ? 
PRD_001048 1 4 C VAL 4 N ALA 5 sing 1 ? ? ? 
PRD_001048 1 5 C ALA 5 N ASA 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001048 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001048 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001048 1 1 ACE ? N Y 
PRD_001048 1 2 VAL ? N Y 
PRD_001048 1 3 ASP ? N Y 
PRD_001048 1 4 VAL ? N Y 
PRD_001048 1 5 ALA ? N Y 
PRD_001048 1 6 ASA ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001048 2012-09-12 RCSB "Create molecule"    
PRD_001048 2012-12-12 RCSB "Initial release"    
PRD_001048 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001049
# 
_pdbx_reference_molecule.prd_id                       PRD_001049 
_pdbx_reference_molecule.name                         "TMC-95A mimic ligand yCP:4a fragment Q" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C55 H72 N8 O9" 
_pdbx_reference_molecule.formula_weight               989.208 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4JT0 
# 
_pdbx_reference_entity_list.prd_id          PRD_001049 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 7" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001049 1 1 C ACA 1 N ACA 2 sing 1 ? ? ? 
PRD_001049 1 2 C ACA 2 N ACA 3 sing 1 ? ? ? 
PRD_001049 1 3 C ACA 3 N TY5 4 sing 1 ? ? ? 
PRD_001049 1 4 C TY5 4 N ALA 5 sing 1 ? ? ? 
PRD_001049 1 5 C ALA 5 N RE0 6 sing 1 ? ? ? 
PRD_001049 1 6 C RE0 6 N ABN 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001049 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001049 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001049 1 1 ACA ?   N N 
PRD_001049 1 2 ACA ?   N N 
PRD_001049 1 3 ACA ?   N Y 
PRD_001049 1 4 TY5 TYR N Y 
PRD_001049 1 5 ALA ALA N Y 
PRD_001049 1 6 RE0 TRP N Y 
PRD_001049 1 7 ABN ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001049 2013-04-19 PDBJ "Create molecule"      
PRD_001049 2013-05-01 RCSB "Initial release"      
PRD_001049 2013-05-29 PDBJ "Modify molecule name" 
PRD_001049 2013-06-03 RCSB "Other modification"   
PRD_001049 2023-11-03 PDBE "Other modification"   
# 
data_PRD_001050
# 
_pdbx_reference_molecule.prd_id                       PRD_001050 
_pdbx_reference_molecule.name                         RXP407 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H31 N4 O8 P" 
_pdbx_reference_molecule.formula_weight               498.467 
_pdbx_reference_molecule.chem_comp_id                 RX4 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3NXQ 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001050 
_pdbx_reference_entity_subcomponents.seq            "ACE ASP RT1 ALA NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   RX4 
# 
_pdbx_reference_entity_list.prd_id          PRD_001050 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001050 1 1 N RT1 3 C ASP 2 sing 1 ? ? ? 
PRD_001050 1 2 N ASP 2 C ACE 1 sing 1 ? ? ? 
PRD_001050 1 3 C RT1 3 N ALA 4 sing 1 ? ? ? 
PRD_001050 1 4 C ALA 4 N NH2 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001050 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001050 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001050 1 1 ACE ? N Y 
PRD_001050 1 2 ASP ? N Y 
PRD_001050 1 3 RT1 ? N Y 
PRD_001050 1 4 ALA ? N Y 
PRD_001050 1 5 NH2 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001050 2012-09-12 RCSB "Create molecule" 
PRD_001050 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001051
# 
_pdbx_reference_molecule.prd_id                       PRD_001051 
_pdbx_reference_molecule.name                         "N-[(BENZYLOXY)CARBONYL]-L-LEUCYL-N-[(2S,3S)-3-HYDROXY-1-(4-HYDROXYPHENYL)-4-OXOBUTAN-2-YL]-L-LEUCINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H41 N3 O7" 
_pdbx_reference_molecule.formula_weight               555.662 
_pdbx_reference_molecule.chem_comp_id                 EP9 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3OKJ 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001051 
_pdbx_reference_entity_subcomponents.seq            "PHQ LEU LEU OKJ" 
_pdbx_reference_entity_subcomponents.chem_comp_id   EP9 
# 
_pdbx_reference_entity_list.prd_id          PRD_001051 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001051 1 1 N  LEU 2 C1 PHQ 1 sing 1 ? ? ? 
PRD_001051 1 2 N  LEU 3 C  LEU 2 sing 1 ? ? ? 
PRD_001051 1 3 N1 OKJ 4 C  LEU 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001051 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001051 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001051 1 1 PHQ ? N Y 
PRD_001051 1 2 LEU ? N Y 
PRD_001051 1 3 LEU ? N Y 
PRD_001051 1 4 OKJ ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001051 2012-09-12 RCSB "Create molecule" 
PRD_001051 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001052
# 
_pdbx_reference_molecule.prd_id                       PRD_001052 
_pdbx_reference_molecule.name                         "N-acetyl-L-alpha-aspartyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-alaninamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H28 N4 O9" 
_pdbx_reference_molecule.formula_weight               444.436 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3R7B 
# 
_pdbx_reference_entity_list.prd_id          PRD_001052 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "Peptide Inhibitor (ACE)DVAD-CHO" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001052 1 1 C ACE 1 N ASP 2 sing 1 ? ? ? 
PRD_001052 1 2 C ASP 2 N VAL 3 sing 1 ? ? ? 
PRD_001052 1 3 C VAL 3 N ALA 4 sing 1 ? ? ? 
PRD_001052 1 4 C ALA 4 N ASA 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001052 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001052 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001052 1 1 ACE ? N Y 
PRD_001052 1 2 ASP ? N Y 
PRD_001052 1 3 VAL ? N Y 
PRD_001052 1 4 ALA ? N Y 
PRD_001052 1 5 ASA ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001052 2012-09-12 RCSB "Create molecule"    
PRD_001052 2012-12-12 RCSB "Initial release"    
PRD_001052 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001053
# 
_pdbx_reference_molecule.prd_id                       PRD_001053 
_pdbx_reference_molecule.name                         "Z-GLY-GLY-PHE-CHLOROMETHYL KETONE (BOUND FORM)" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H26 Cl N3 O5" 
_pdbx_reference_molecule.formula_weight               447.912 
_pdbx_reference_molecule.chem_comp_id                 Y3A 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "The chlorormethyl ketone inhibitor linked to the protein through two covalent bonds with the active site serine and histidine" 
_pdbx_reference_molecule.representative_PDB_id_code   4HXF 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001053 
_pdbx_reference_entity_subcomponents.seq            "PHQ GLY GLY HPH 0QE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   Y3A 
# 
_pdbx_reference_entity_list.prd_id          PRD_001053 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001053 1 1 C1 PHQ 1 N  GLY 2 sing 1 ? ? ? 
PRD_001053 1 2 C  GLY 2 N  GLY 3 sing 1 ? ? ? 
PRD_001053 1 3 C  GLY 3 N  HPH 4 sing 1 ? ? ? 
PRD_001053 1 4 C  HPH 4 C1 0QE 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001053 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001053 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001053 1 1 PHQ ?   N Y 
PRD_001053 1 2 GLY GLY N Y 
PRD_001053 1 3 GLY GLY N Y 
PRD_001053 1 4 HPH PHE N Y 
PRD_001053 1 5 0QE ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001053 2013-02-01 RCSB "Create molecule"    
PRD_001053 2013-05-08 RCSB "Initial release"    
PRD_001053 2014-09-29 RCSB "Other modification" 
# 
data_PRD_001054
# 
_pdbx_reference_molecule.prd_id                       PRD_001054 
_pdbx_reference_molecule.name                         "peptide inhibitor, syc59" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H38 N4 O6" 
_pdbx_reference_molecule.formula_weight               478.582 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4INH 
# 
_pdbx_reference_entity_list.prd_id          PRD_001054 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001054 1 1 C1 PHQ 1 N ALA 2 sing 1 ? ? ? 
PRD_001054 1 2 C  ALA 2 N LEU 3 sing 1 ? ? ? 
PRD_001054 1 3 C  LEU 3 N 1HB 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001054 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001054 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001054 1 1 PHQ ?   N Y 
PRD_001054 1 2 ALA ALA N Y 
PRD_001054 1 3 LEU LEU N Y 
PRD_001054 1 4 1HB GLN N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001054 2013-02-04 RCSB "Create molecule"    
PRD_001054 2013-02-20 RCSB "Initial release"    
PRD_001054 2013-06-03 RCSB "Other modification" 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001054 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 32630 
_pdbx_reference_entity_src_nat.organism_scientific   "synthetic construct" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
data_PRD_001055
# 
_pdbx_reference_molecule.prd_id                       PRD_001055 
_pdbx_reference_molecule.name                         KNI-10395 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C37 H44 N4 O6 S2" 
_pdbx_reference_molecule.formula_weight               704.898 
_pdbx_reference_molecule.chem_comp_id                 K95 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3QVI 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001055 
_pdbx_reference_entity_subcomponents.seq            "PAC SMC 005 00B 00X" 
_pdbx_reference_entity_subcomponents.chem_comp_id   K95 
# 
_pdbx_reference_entity_list.prd_id          PRD_001055 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001055 1 1 C   SMC 2 N  005 3 sing 1 ? ? ? 
PRD_001055 1 2 N   SMC 2 C1 PAC 1 sing 1 ? ? ? 
PRD_001055 1 3 N30 00X 5 C  00B 4 sing 1 ? ? ? 
PRD_001055 1 4 C   005 3 N  00B 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001055 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001055 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001055 1 1 PAC ? N Y 
PRD_001055 1 2 SMC ? N Y 
PRD_001055 1 3 005 ? N Y 
PRD_001055 1 4 00B ? N Y 
PRD_001055 1 5 00X ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001055 2012-09-12 RCSB "Create molecule"      
PRD_001055 2012-12-12 RCSB "Initial release"      
PRD_001055 2013-08-26 RCSB "Modify molecule name" 
# 
data_PRD_001057
# 
_pdbx_reference_molecule.prd_id                       PRD_001057 
_pdbx_reference_molecule.name                         ACETYL-PEPSTATIN 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H57 N5 O9" 
_pdbx_reference_molecule.formula_weight               643.812 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4EXH 
# 
_pdbx_reference_entity_list.prd_id          PRD_001057 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001057 1 1 C ACE 1 N VAL 2 sing 1 ? ? ? 
PRD_001057 1 2 C VAL 2 N VAL 3 sing 1 ? ? ? 
PRD_001057 1 3 C VAL 3 N STA 4 sing 1 ? ? ? 
PRD_001057 1 4 C STA 4 N ALA 5 sing 1 ? ? ? 
PRD_001057 1 5 C ALA 5 N STA 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001057 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001057 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001057 1 1 ACE ? N Y 
PRD_001057 1 2 VAL ? N Y 
PRD_001057 1 3 VAL ? N Y 
PRD_001057 1 4 STA ? N Y 
PRD_001057 1 5 ALA ? N Y 
PRD_001057 1 6 STA ? N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001057 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1883 
_pdbx_reference_entity_src_nat.organism_scientific   Streptomyces 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001057 2012-09-12 RCSB "Create molecule"    
PRD_001057 2012-12-12 RCSB "Initial release"    
PRD_001057 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001058
# 
_pdbx_reference_molecule.prd_id                       PRD_001058 
_pdbx_reference_molecule.name                         "N-{3-[4-(4-PHENYLTHIOPHEN-2-YL)PHENYL]PROPANOYL}-L-ALPHA-GLUTAMYL-L-ALPHA-GLUTAMYL-AMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H31 N3 O7 S" 
_pdbx_reference_molecule.formula_weight               565.637 
_pdbx_reference_molecule.chem_comp_id                 EEG 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3LIK 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001058 
_pdbx_reference_entity_subcomponents.seq            "03J GLU GLU NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   EEG 
# 
_pdbx_reference_entity_list.prd_id          PRD_001058 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001058 1 1 C GLU 3 N   NH2 4 sing 1 ? ? ? 
PRD_001058 1 2 N GLU 3 C   GLU 2 sing 1 ? ? ? 
PRD_001058 1 3 N GLU 2 C11 03J 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001058 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001058 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001058 1 1 03J ? N Y 
PRD_001058 1 2 GLU ? N Y 
PRD_001058 1 3 GLU ? N Y 
PRD_001058 1 4 NH2 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001058 2012-09-12 RCSB "Create molecule" 
PRD_001058 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001059
# 
_pdbx_reference_molecule.prd_id                       PRD_001059 
_pdbx_reference_molecule.name                         "Trypsin inhibitor 1" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Trypsin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C71 H104 N19 O17 S2" 
_pdbx_reference_molecule.formula_weight               1559.833 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4KEL 
# 
_pdbx_reference_entity_list.prd_id          PRD_001059 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001059 1 1  N  GLY 1  C  ASN 14 sing 1 ? ? ? 
PRD_001059 1 2  C  GLY 1  N  PHE 2  sing 1 ? ? ? 
PRD_001059 1 3  C  PHE 2  N  CYS 3  sing 1 ? ? ? 
PRD_001059 1 4  C  CYS 3  N  GLN 4  sing 1 ? ? ? 
PRD_001059 1 5  SG CYS 3  SG CYS 11 sing 1 ? ? ? 
PRD_001059 1 6  C  GLN 4  N  ARG 5  sing 1 ? ? ? 
PRD_001059 1 7  C  ARG 5  N  SER 6  sing 1 ? ? ? 
PRD_001059 1 8  C  SER 6  N  ILE 7  sing 1 ? ? ? 
PRD_001059 1 9  C  ILE 7  N  PRO 8  sing 1 ? ? ? 
PRD_001059 1 10 C  PRO 8  N  PRO 9  sing 1 ? ? ? 
PRD_001059 1 11 C  PRO 9  N  ILE 10 sing 1 ? ? ? 
PRD_001059 1 12 C  ILE 10 N  CYS 11 sing 1 ? ? ? 
PRD_001059 1 13 C  CYS 11 N  PHE 12 sing 1 ? ? ? 
PRD_001059 1 14 C  PHE 12 N  PRO 13 sing 1 ? ? ? 
PRD_001059 1 15 C  PRO 13 N  ASN 14 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001059 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         Q4GWU5 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001059 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001059 1 1  GLY GLY N Y 
PRD_001059 1 2  PHE PHE N Y 
PRD_001059 1 3  CYS CYS N Y 
PRD_001059 1 4  GLN GLN N Y 
PRD_001059 1 5  ARG ARG N Y 
PRD_001059 1 6  SER SER N Y 
PRD_001059 1 7  ILE ILE N Y 
PRD_001059 1 8  PRO PRO N Y 
PRD_001059 1 9  PRO PRO N Y 
PRD_001059 1 10 ILE ILE N Y 
PRD_001059 1 11 CYS CYS N Y 
PRD_001059 1 12 PHE PHE N Y 
PRD_001059 1 13 PRO PRO N Y 
PRD_001059 1 14 ASN ASN N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001059 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 4232 
_pdbx_reference_entity_src_nat.organism_scientific   "Helianthus annuus" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001059 2013-05-08 PDBJ "Create molecule" 
PRD_001059 2014-04-30 RCSB "Initial release" 
# 
data_PRD_001060
# 
_pdbx_reference_molecule.prd_id                       PRD_001060 
_pdbx_reference_molecule.name                         "N~2~-{3-[4-(4-PHENYLTHIOPHEN-2-YL)PHENYL]PROPANOYL}-L-GLUTAMINYL-L-ALPHA-GLUTAMINE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H32 N4 O6 S" 
_pdbx_reference_molecule.formula_weight               564.653 
_pdbx_reference_molecule.chem_comp_id                 QEG 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3TSK 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001060 
_pdbx_reference_entity_subcomponents.seq            "03J GLN GLU NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   QEG 
# 
_pdbx_reference_entity_list.prd_id          PRD_001060 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001060 1 1 C GLU 3 N   NH2 4 sing 1 ? ? ? 
PRD_001060 1 2 N GLU 3 C   GLN 2 sing 1 ? ? ? 
PRD_001060 1 3 N GLN 2 C11 03J 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001060 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001060 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001060 1 1 03J ? N Y 
PRD_001060 1 2 GLN ? N Y 
PRD_001060 1 3 GLU ? N Y 
PRD_001060 1 4 NH2 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001060 2012-09-12 RCSB "Create molecule" 
PRD_001060 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001061
# 
_pdbx_reference_molecule.prd_id                       PRD_001061 
_pdbx_reference_molecule.name                         "peptide inhibitor, syc 10" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H42 N4 O6" 
_pdbx_reference_molecule.formula_weight               554.678 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4IMZ 
# 
_pdbx_reference_entity_list.prd_id          PRD_001061 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001061 1 1 C1 PHQ 1 N LEU 2 sing 1 ? ? ? 
PRD_001061 1 2 C  LEU 2 N PHE 3 sing 1 ? ? ? 
PRD_001061 1 3 C  PHE 3 N 1HB 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001061 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001061 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001061 1 1 PHQ ?   N Y 
PRD_001061 1 2 LEU LEU N Y 
PRD_001061 1 3 PHE PHE N Y 
PRD_001061 1 4 1HB GLN N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001061 2013-02-04 RCSB "Create molecule"    
PRD_001061 2013-02-20 RCSB "Initial release"    
PRD_001061 2013-06-03 RCSB "Other modification" 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001061 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 32630 
_pdbx_reference_entity_src_nat.organism_scientific   "synthetic construct" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
data_PRD_001062
# 
_pdbx_reference_molecule.prd_id                       PRD_001062 
_pdbx_reference_molecule.name                         "peptide inhibitor, syc8" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H38 N4 O6" 
_pdbx_reference_molecule.formula_weight               526.625 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4IMQ 
# 
_pdbx_reference_entity_list.prd_id          PRD_001062 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001062 1 1 C1 PHQ 1 N LEU 2 sing 1 ? ? ? 
PRD_001062 1 2 C  LEU 2 N PHE 3 sing 1 ? ? ? 
PRD_001062 1 3 C  PHE 3 N 1HD 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001062 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001062 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001062 1 1 PHQ ?   N Y 
PRD_001062 1 2 LEU LEU N Y 
PRD_001062 1 3 PHE PHE N Y 
PRD_001062 1 4 1HD ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001062 2013-02-05 RCSB "Create molecule"    
PRD_001062 2013-02-20 RCSB "Initial release"    
PRD_001062 2013-06-03 RCSB "Other modification" 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001062 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 32630 
_pdbx_reference_entity_src_nat.organism_scientific   "synthetic construct" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
data_PRD_001063
# 
_pdbx_reference_molecule.prd_id                       PRD_001063 
_pdbx_reference_molecule.name                         "Beta-Hairpin Peptidomimetic antibiotic TWL(DAB)(ORN)(DLY)RW(ORN)(DAB)AK(DPR)P" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C81 H131 N25 O15" 
_pdbx_reference_molecule.formula_weight               1695.065 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2M7I 
# 
_pdbx_reference_entity_list.prd_id          PRD_001063 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001063 1 1  N THR 1  C PRO 14 sing 1 ? ? ? 
PRD_001063 1 2  C THR 1  N TRP 2  sing 1 ? ? ? 
PRD_001063 1 3  C TRP 2  N LEU 3  sing 1 ? ? ? 
PRD_001063 1 4  C LEU 3  N DAB 4  sing 1 ? ? ? 
PRD_001063 1 5  C DAB 4  N ORN 5  sing 1 ? ? ? 
PRD_001063 1 6  C ORN 5  N DLY 6  sing 1 ? ? ? 
PRD_001063 1 7  C DLY 6  N ARG 7  sing 1 ? ? ? 
PRD_001063 1 8  C ARG 7  N TRP 8  sing 1 ? ? ? 
PRD_001063 1 9  C TRP 8  N ORN 9  sing 1 ? ? ? 
PRD_001063 1 10 C ORN 9  N DAB 10 sing 1 ? ? ? 
PRD_001063 1 11 C DAB 10 N ALA 11 sing 1 ? ? ? 
PRD_001063 1 12 C ALA 11 N LYS 12 sing 1 ? ? ? 
PRD_001063 1 13 C LYS 12 N DPR 13 sing 1 ? ? ? 
PRD_001063 1 14 C DPR 13 N PRO 14 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001063 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001063 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001063 1 1  THR THR N Y 
PRD_001063 1 2  TRP TRP N Y 
PRD_001063 1 3  LEU LEU N Y 
PRD_001063 1 4  DAB ALA N Y 
PRD_001063 1 5  ORN ALA N Y 
PRD_001063 1 6  DLY LYS N Y 
PRD_001063 1 7  ARG ARG N Y 
PRD_001063 1 8  TRP TRP N Y 
PRD_001063 1 9  ORN ALA N Y 
PRD_001063 1 10 DAB ALA N Y 
PRD_001063 1 11 ALA ALA N Y 
PRD_001063 1 12 LYS LYS N Y 
PRD_001063 1 13 DPR PRO N Y 
PRD_001063 1 14 PRO PRO N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001063 2013-05-08 RCSB "Create molecule"    
PRD_001063 2013-06-03 RCSB "Other modification" 
PRD_001063 2013-09-11 RCSB "Initial release"    
# 
data_PRD_001064
# 
_pdbx_reference_molecule.prd_id                       PRD_001064 
_pdbx_reference_molecule.name                         "N-(TERT-BUTYLCARBAMOYL)-3-METHYL-L-VALYL-(4R)-N-[(1R,2S)-1-CARBOXY-2-ETHENYLCYCLOPROPYL]-4-[(7-METHOXY-2-PHENYLQUINOLIN-4-YL)OXY]-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C38 H47 N5 O7" 
_pdbx_reference_molecule.formula_weight               685.809 
_pdbx_reference_molecule.chem_comp_id                 1RR 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4K8B 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001064 
_pdbx_reference_entity_subcomponents.seq            "TBB TBG YPR 0Y9" 
_pdbx_reference_entity_subcomponents.chem_comp_id   1RR 
# 
_pdbx_reference_entity_list.prd_id          PRD_001064 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001064 1 1 C24 TBB 1 N TBG 2 sing 1 ? ? ? 
PRD_001064 1 2 C   TBG 2 N YPR 3 sing 1 ? ? ? 
PRD_001064 1 3 C   YPR 3 N 0Y9 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001064 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001064 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001064 1 1 TBB ?   N Y 
PRD_001064 1 2 TBG VAL N Y 
PRD_001064 1 3 YPR PRO N Y 
PRD_001064 1 4 0Y9 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001064 2013-05-09 PDBJ "Create molecule"    
PRD_001064 2014-03-26 RCSB "Initial release"    
PRD_001064 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001065
# 
_pdbx_reference_molecule.prd_id                       PRD_001065 
_pdbx_reference_molecule.name                         teicoplanin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Glycopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Antibiotic, Antimicrobial" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C88 H95 Cl2 N9 O34" 
_pdbx_reference_molecule.formula_weight               1893.642 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4K3T 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_001065 1 1 polymer     "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 7" 
PRD_001065 2 2 non-polymer T55                                     
PRD_001065 3 3 non-polymer MAN                                     
PRD_001065 4 4 non-polymer NAG                                     
PRD_001065 5 5 non-polymer N1L                                     
# 
loop_
_pdbx_reference_entity_nonpoly.prd_id 
_pdbx_reference_entity_nonpoly.ref_entity_id 
_pdbx_reference_entity_nonpoly.name 
_pdbx_reference_entity_nonpoly.chem_comp_id 
_pdbx_reference_entity_nonpoly.details 
PRD_001065 2 "8-METHYLNONANOIC ACID"                        T55 ? 
PRD_001065 3 ALPHA-D-MANNOSE                                MAN ? 
PRD_001065 4 N-ACETYL-D-GLUCOSAMINE                         NAG ? 
PRD_001065 5 "2-AMINO-2-DEOXY-BETA-D-GLUCOPYRANURONIC ACID" N1L ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_001065 1 PN 1 4 GHP O4  5 ? N1L C1 sing 1 5 ? ? ? 
PRD_001065 2 PN 1 6 OMY ODE 4 ? NAG C1 sing 1 4 ? ? ? 
PRD_001065 3 PN 1 7 3FG OD1 3 ? MAN C1 sing 1 3 ? ? ? 
PRD_001065 4 NN 2 ? T55 C   5 ? N1L N2 sing 2 5 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001065 1 1  C   GHP 1 N   3MY 2 sing 1 ? ? ? 
PRD_001065 1 2  C3  GHP 1 OD2 3FG 3 sing 1 ? ? ? 
PRD_001065 1 3  OBD 3MY 2 C5  GHP 4 sing 1 ? ? ? 
PRD_001065 1 4  C   3MY 2 N   3FG 3 sing 1 ? ? ? 
PRD_001065 1 5  C   3FG 3 N   GHP 4 sing 1 ? ? ? 
PRD_001065 1 6  C   GHP 4 N   GHP 5 sing 1 ? ? ? 
PRD_001065 1 7  C3  GHP 4 OCZ OMY 6 sing 1 ? ? ? 
PRD_001065 1 8  C   GHP 5 N   OMY 6 sing 1 ? ? ? 
PRD_001065 1 9  C3  GHP 5 CG1 3FG 7 sing 1 ? ? ? 
PRD_001065 1 10 C   OMY 6 N   3FG 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001065 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001065 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001065 1 1 GHP ?   N Y 
PRD_001065 1 2 3MY TYR N Y 
PRD_001065 1 3 3FG ?   N Y 
PRD_001065 1 4 GHP ?   N Y 
PRD_001065 1 5 GHP ?   N Y 
PRD_001065 1 6 OMY TYR N Y 
PRD_001065 1 7 3FG ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001065 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1867 
_pdbx_reference_entity_src_nat.organism_scientific   "Actinoplanes teichomyceticus" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001065 2013-05-14 PDBJ "Create molecule"    
PRD_001065 2013-05-29 RCSB "Initial release"    
PRD_001065 2013-06-03 RCSB "Other modification" 
PRD_001065 2015-08-10 PDBJ "Other modification" 
PRD_001065 2018-11-22 PDBE "Other modification" 
PRD_001065 2018-12-05 PDBJ "Other modification" 
PRD_001065 2023-06-11 RCSB "Modify audit"       
# 
data_PRD_001066
# 
_pdbx_reference_molecule.prd_id                       PRD_001066 
_pdbx_reference_molecule.name                         "Muramyl tetrapeptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Unknown 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H53 N8 O13" 
_pdbx_reference_molecule.formula_weight               733.788 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4KNL 
# 
_pdbx_reference_entity_list.prd_id          PRD_001066 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001066 1 1 C10 MUB 1 N ALA 2 sing 1 ? ? ? 
PRD_001066 1 2 C   ALA 2 N ZGL 3 sing 1 ? ? ? 
PRD_001066 1 3 C   ZGL 3 N ALY 4 sing 1 ? ? ? 
PRD_001066 1 4 C   ALY 4 N DAL 5 sing 1 ? ? ? 
PRD_001066 1 5 C   DAL 5 N NH2 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001066 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001066 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001066 1 1 MUB ?   N Y 
PRD_001066 1 2 ALA ALA N Y 
PRD_001066 1 3 ZGL ?   N Y 
PRD_001066 1 4 ALY LYS N Y 
PRD_001066 1 5 DAL ?   N Y 
PRD_001066 1 6 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001066 2013-05-15 RCSB "Create molecule"    
PRD_001066 2013-05-29 RCSB "Modify sequence"    
PRD_001066 2013-06-03 RCSB "Other modification" 
PRD_001066 2014-03-12 RCSB "Initial release"    
PRD_001066 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001068
# 
_pdbx_reference_molecule.prd_id                       PRD_001068 
_pdbx_reference_molecule.name                         "beta-Hairpin Peptidomimetic Antibiotic TWLKKRRWKKAK(DPR)P" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C87 H148 N27 O15" 
_pdbx_reference_molecule.formula_weight               1812.278 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2M7J 
# 
_pdbx_reference_entity_list.prd_id          PRD_001068 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001068 1 1  N THR 1  C PRO 14 sing 1 ? ? ? 
PRD_001068 1 2  C THR 1  N TRP 2  sing 1 ? ? ? 
PRD_001068 1 3  C TRP 2  N LEU 3  sing 1 ? ? ? 
PRD_001068 1 4  C LEU 3  N LYS 4  sing 1 ? ? ? 
PRD_001068 1 5  C LYS 4  N LYS 5  sing 1 ? ? ? 
PRD_001068 1 6  C LYS 5  N ARG 6  sing 1 ? ? ? 
PRD_001068 1 7  C ARG 6  N ARG 7  sing 1 ? ? ? 
PRD_001068 1 8  C ARG 7  N TRP 8  sing 1 ? ? ? 
PRD_001068 1 9  C TRP 8  N LYS 9  sing 1 ? ? ? 
PRD_001068 1 10 C LYS 9  N LYS 10 sing 1 ? ? ? 
PRD_001068 1 11 C LYS 10 N ALA 11 sing 1 ? ? ? 
PRD_001068 1 12 C ALA 11 N LYS 12 sing 1 ? ? ? 
PRD_001068 1 13 C LYS 12 N DPR 13 sing 1 ? ? ? 
PRD_001068 1 14 C DPR 13 N PRO 14 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001068 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001068 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001068 1 1  THR THR N Y 
PRD_001068 1 2  TRP TRP N Y 
PRD_001068 1 3  LEU LEU N Y 
PRD_001068 1 4  LYS LYS N Y 
PRD_001068 1 5  LYS LYS N Y 
PRD_001068 1 6  ARG ARG N Y 
PRD_001068 1 7  ARG ARG N Y 
PRD_001068 1 8  TRP TRP N Y 
PRD_001068 1 9  LYS LYS N Y 
PRD_001068 1 10 LYS LYS N Y 
PRD_001068 1 11 ALA ALA N Y 
PRD_001068 1 12 LYS LYS N Y 
PRD_001068 1 13 DPR PRO N Y 
PRD_001068 1 14 PRO PRO N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001068 2013-05-17 RCSB "Create molecule"    
PRD_001068 2013-06-03 RCSB "Other modification" 
PRD_001068 2013-09-11 RCSB "Initial release"    
# 
data_PRD_001069
# 
_pdbx_reference_molecule.prd_id                       PRD_001069 
_pdbx_reference_molecule.name                         "N-acetyl-L-alanyl-L-alanyl-N-[(2S)-1-hydroxypropan-2-yl]-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C16 H28 N4 O5" 
_pdbx_reference_molecule.formula_weight               356.417 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3QGJ 
# 
_pdbx_reference_entity_list.prd_id          PRD_001069 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "Ac-AlaAlaPro-Alanal peptide " 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001069 1 1 C ACE 1 N ALA 2 sing 1 ? ? ? 
PRD_001069 1 2 C ALA 2 N ALA 3 sing 1 ? ? ? 
PRD_001069 1 3 C ALA 3 N PRO 4 sing 1 ? ? ? 
PRD_001069 1 4 C PRO 4 N 2A1 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001069 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001069 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001069 1 1 ACE ? N Y 
PRD_001069 1 2 ALA ? N Y 
PRD_001069 1 3 ALA ? N Y 
PRD_001069 1 4 PRO ? N Y 
PRD_001069 1 5 2A1 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001069 2012-09-12 RCSB "Create molecule"    
PRD_001069 2012-12-12 RCSB "Initial release"    
PRD_001069 2013-06-03 RCSB "Other modification" 
PRD_001069 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001070
# 
_pdbx_reference_molecule.prd_id                       PRD_001070 
_pdbx_reference_molecule.name                         "Bacitracin A1" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C66 H106 N17 O16 S" 
_pdbx_reference_molecule.formula_weight               1425.717 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Ile-1 and Cys-2 have undergone a condensation reaction to produce a thiazoline ring" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4K7T 
# 
_pdbx_reference_entity_list.prd_id          PRD_001070 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001070 1 1  C  ILE 1  SG CYS 2  sing 1 ? ? ? 
PRD_001070 1 2  C  ILE 1  N  CYS 2  sing 1 ? ? ? 
PRD_001070 1 3  C  CYS 2  N  LEU 3  sing 1 ? ? ? 
PRD_001070 1 4  C  LEU 3  N  DGL 4  sing 1 ? ? ? 
PRD_001070 1 5  C  DGL 4  N  ILE 5  sing 1 ? ? ? 
PRD_001070 1 6  C  ILE 5  N  LYS 6  sing 1 ? ? ? 
PRD_001070 1 7  C  LYS 6  N  ORD 7  sing 1 ? ? ? 
PRD_001070 1 8  NZ LYS 6  C  ASN 12 sing 1 ? ? ? 
PRD_001070 1 9  C  ORD 7  N  ILE 8  sing 1 ? ? ? 
PRD_001070 1 10 C  ILE 8  N  DPN 9  sing 1 ? ? ? 
PRD_001070 1 11 C  DPN 9  N  HIS 10 sing 1 ? ? ? 
PRD_001070 1 12 C  HIS 10 N  DAS 11 sing 1 ? ? ? 
PRD_001070 1 13 C  DAS 11 N  ASN 12 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001070 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00018 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001070 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001070 1 1  ILE ILE N Y 
PRD_001070 1 2  CYS CYS N Y 
PRD_001070 1 3  LEU LEU N Y 
PRD_001070 1 4  DGL ?   N Y 
PRD_001070 1 5  ILE ILE N Y 
PRD_001070 1 6  LYS LYS N Y 
PRD_001070 1 7  ORD ?   N Y 
PRD_001070 1 8  ILE ILE N Y 
PRD_001070 1 9  DPN ?   N Y 
PRD_001070 1 10 HIS HIS N Y 
PRD_001070 1 11 DAS ?   N Y 
PRD_001070 1 12 ASN ASN N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001070 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1423 
_pdbx_reference_entity_src_nat.organism_scientific   "Bacillus subtilis" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001070 2013-05-22 RCSB "Create molecule"    
PRD_001070 2013-06-04 RCSB "Other modification" 
PRD_001070 2013-08-14 RCSB "Initial release"    
# 
data_PRD_001071
# 
_pdbx_reference_molecule.prd_id                       PRD_001071 
_pdbx_reference_molecule.name                         "N~4~-(2,2-DIMETHYLPROPYL)-N~1~-{(2S)-1-[(4-METHYLBENZYL)AMINO]-1-OXO-4-PHENYLBUTAN-2-YL}-N~2~-[(5-METHYL-1,2-OXAZOL-3-YL)CARBONYL]-L-ASPARTAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H41 N5 O5" 
_pdbx_reference_molecule.formula_weight               575.698 
_pdbx_reference_molecule.chem_comp_id                 3SD 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3SDI 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001071 
_pdbx_reference_entity_subcomponents.seq            "02J 02L HPE 02N" 
_pdbx_reference_entity_subcomponents.chem_comp_id   3SD 
# 
_pdbx_reference_entity_list.prd_id          PRD_001071 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001071 1 1 N   HPE 3 C10 02L 2 sing 1 ? ? ? 
PRD_001071 1 2 N16 02N 4 C   HPE 3 sing 1 ? ? ? 
PRD_001071 1 3 N7  02L 2 C   02J 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001071 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001071 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001071 1 1 02J ? N Y 
PRD_001071 1 2 02L ? N Y 
PRD_001071 1 3 HPE ? N Y 
PRD_001071 1 4 02N ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001071 2012-09-12 RCSB "Create molecule"    
PRD_001071 2012-12-12 RCSB "Initial release"    
PRD_001071 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001072
# 
_pdbx_reference_molecule.prd_id                       PRD_001072 
_pdbx_reference_molecule.name                         "Thiocillin GE2270 analogue NVP-LFF571" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Thiopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C60 H72 N13 O13 S6" 
_pdbx_reference_molecule.formula_weight               1375.683 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "THE GE2270A-LIKE ANTIBIOTIC COMPOUND IS REPRESENTED AS POLYMER. THE FIRST 11 RESIDUES OF THE ANTIBIOTIC ARE IDENTICAL TO THE CORRESPONDING RESIDUES IN GE2270A, WITH ONLY THE LAST RESIDUE MODIFIED" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3U2Q 
# 
_pdbx_reference_entity_list.prd_id          PRD_001072 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 12" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001072 1 1  CA SER 1  C  BB9 10 sing 1 ? ? ? 
PRD_001072 1 2  C  SER 1  SG BB9 2  sing 1 ? ? ? 
PRD_001072 1 3  C  SER 1  N  BB9 2  sing 1 ? ? ? 
PRD_001072 1 4  CB SER 1  CB MH6 11 sing 1 ? ? ? 
PRD_001072 1 5  C  BB9 2  N  MEN 3  sing 1 ? ? ? 
PRD_001072 1 6  C  MEN 3  SG BB6 4  sing 1 ? ? ? 
PRD_001072 1 7  C  MEN 3  N  BB6 4  sing 1 ? ? ? 
PRD_001072 1 8  C  BB6 4  N  VAL 5  sing 1 ? ? ? 
PRD_001072 1 9  C  VAL 5  N  BB7 6  sing 1 ? ? ? 
PRD_001072 1 10 C  VAL 5  SG BB7 6  sing 1 ? ? ? 
PRD_001072 1 11 C  BB7 6  N  GLY 7  sing 1 ? ? ? 
PRD_001072 1 12 C  GLY 7  N  BB8 8  sing 1 ? ? ? 
PRD_001072 1 13 C  BB8 8  SG BB9 9  sing 1 ? ? ? 
PRD_001072 1 14 C  BB8 8  N  BB9 9  sing 1 ? ? ? 
PRD_001072 1 15 C  BB9 9  N  BB9 10 sing 1 ? ? ? 
PRD_001072 1 16 C  BB9 9  SG BB9 10 sing 1 ? ? ? 
PRD_001072 1 17 C  BB9 10 N  MH6 11 sing 1 ? ? ? 
PRD_001072 1 18 C  MH6 11 SG 7BB 12 sing 1 ? ? ? 
PRD_001072 1 19 C  MH6 11 N  7BB 12 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001072 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         Q7M0J8 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001072 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001072 1 1  SER SER N Y 
PRD_001072 1 2  BB9 CYS N Y 
PRD_001072 1 3  MEN ASN N Y 
PRD_001072 1 4  BB6 CYS N Y 
PRD_001072 1 5  VAL VAL N Y 
PRD_001072 1 6  BB7 CYS N Y 
PRD_001072 1 7  GLY GLY N Y 
PRD_001072 1 8  BB8 PHE N Y 
PRD_001072 1 9  BB9 CYS N Y 
PRD_001072 1 10 BB9 CYS N Y 
PRD_001072 1 11 MH6 SER N Y 
PRD_001072 1 12 7BB ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001072 2012-09-12 RCSB "Create molecule" 
PRD_001072 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001073
# 
_pdbx_reference_molecule.prd_id                       PRD_001073 
_pdbx_reference_molecule.name                         "Thiocillin GE2270 analogue NVP-LDK733" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Thiopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C55 H64 N13 O11 S6" 
_pdbx_reference_molecule.formula_weight               1275.567 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "THE GE2270A-LIKE ANTIBIOTIC COMPOUND IS REPRESENTED AS POLYMER. THE FIRST 11 RESIDUES OF THE ANTIBIOTIC ARE IDENTICAL TO THE CORRESPONDING RESIDUES IN GE2270A, WITH ONLY THE LAST RESIDUE MODIFIED" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3U6K 
# 
_pdbx_reference_entity_list.prd_id          PRD_001073 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 12" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001073 1 1  CA SER 1  C  BB9 10 sing 1 ? ? ? 
PRD_001073 1 2  C  SER 1  N  BB9 2  sing 1 ? ? ? 
PRD_001073 1 3  C  SER 1  SG BB9 2  sing 1 ? ? ? 
PRD_001073 1 4  CB SER 1  CB MH6 11 sing 1 ? ? ? 
PRD_001073 1 5  C  BB9 2  N  MEN 3  sing 1 ? ? ? 
PRD_001073 1 6  C  MEN 3  N  BB6 4  sing 1 ? ? ? 
PRD_001073 1 7  C  MEN 3  SG BB6 4  sing 1 ? ? ? 
PRD_001073 1 8  C  BB6 4  N  VAL 5  sing 1 ? ? ? 
PRD_001073 1 9  C  VAL 5  N  BB7 6  sing 1 ? ? ? 
PRD_001073 1 10 C  VAL 5  SG BB7 6  sing 1 ? ? ? 
PRD_001073 1 11 C  BB7 6  N  GLY 7  sing 1 ? ? ? 
PRD_001073 1 12 C  GLY 7  N  BB8 8  sing 1 ? ? ? 
PRD_001073 1 13 C  BB8 8  N  BB9 9  sing 1 ? ? ? 
PRD_001073 1 14 C  BB8 8  SG BB9 9  sing 1 ? ? ? 
PRD_001073 1 15 C  BB9 9  SG BB9 10 sing 1 ? ? ? 
PRD_001073 1 16 C  BB9 9  N  BB9 10 sing 1 ? ? ? 
PRD_001073 1 17 C  BB9 10 N  MH6 11 sing 1 ? ? ? 
PRD_001073 1 18 C  MH6 11 SG 9BB 12 sing 1 ? ? ? 
PRD_001073 1 19 C  MH6 11 N  9BB 12 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001073 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         Q7M0J8 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001073 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001073 1 1  SER SER N Y 
PRD_001073 1 2  BB9 CYS N Y 
PRD_001073 1 3  MEN ASN N Y 
PRD_001073 1 4  BB6 CYS N Y 
PRD_001073 1 5  VAL VAL N Y 
PRD_001073 1 6  BB7 CYS N Y 
PRD_001073 1 7  GLY GLY N Y 
PRD_001073 1 8  BB8 PHE N Y 
PRD_001073 1 9  BB9 CYS N Y 
PRD_001073 1 10 BB9 CYS N Y 
PRD_001073 1 11 MH6 SER N Y 
PRD_001073 1 12 9BB ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001073 2012-09-12 RCSB "Create molecule" 
PRD_001073 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001074
# 
_pdbx_reference_molecule.prd_id                       PRD_001074 
_pdbx_reference_molecule.name                         "Thiocillin GE2270 analogue NVP-LDI028" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Thiopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C55 H64 N13 O10 S6" 
_pdbx_reference_molecule.formula_weight               1259.568 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "THE GE2270A-LIKE ANTIBIOTIC COMPOUND IS REPRESENTED AS POLYMER. THE FIRST 11 RESIDUES OF THE ANTIBIOTIC ARE IDENTICAL TO THE CORRESPONDING RESIDUES IN GE2270A, WITH ONLY THE LAST RESIDUE MODIFIED" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3U6B 
# 
_pdbx_reference_entity_list.prd_id          PRD_001074 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 12" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001074 1 1  CA SER 1  C  BB9 10 sing 1 ? ? ? 
PRD_001074 1 2  C  SER 1  SG BB9 2  sing 1 ? ? ? 
PRD_001074 1 3  C  SER 1  N  BB9 2  sing 1 ? ? ? 
PRD_001074 1 4  CB SER 1  CB MH6 11 sing 1 ? ? ? 
PRD_001074 1 5  C  BB9 2  N  MEN 3  sing 1 ? ? ? 
PRD_001074 1 6  C  MEN 3  SG BB6 4  sing 1 ? ? ? 
PRD_001074 1 7  C  MEN 3  N  BB6 4  sing 1 ? ? ? 
PRD_001074 1 8  C  BB6 4  N  VAL 5  sing 1 ? ? ? 
PRD_001074 1 9  C  VAL 5  N  BB7 6  sing 1 ? ? ? 
PRD_001074 1 10 C  VAL 5  SG BB7 6  sing 1 ? ? ? 
PRD_001074 1 11 C  BB7 6  N  GLY 7  sing 1 ? ? ? 
PRD_001074 1 12 C  GLY 7  N  BB8 8  sing 1 ? ? ? 
PRD_001074 1 13 C  BB8 8  N  BB9 9  sing 1 ? ? ? 
PRD_001074 1 14 C  BB8 8  SG BB9 9  sing 1 ? ? ? 
PRD_001074 1 15 C  BB9 9  SG BB9 10 sing 1 ? ? ? 
PRD_001074 1 16 C  BB9 9  N  BB9 10 sing 1 ? ? ? 
PRD_001074 1 17 C  BB9 10 N  MH6 11 sing 1 ? ? ? 
PRD_001074 1 18 C  MH6 11 N  8BB 12 sing 1 ? ? ? 
PRD_001074 1 19 C  MH6 11 SG 8BB 12 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001074 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         Q7M0J8 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001074 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001074 1 1  SER SER N Y 
PRD_001074 1 2  BB9 CYS N Y 
PRD_001074 1 3  MEN ASN N Y 
PRD_001074 1 4  BB6 CYS N Y 
PRD_001074 1 5  VAL VAL N Y 
PRD_001074 1 6  BB7 CYS N Y 
PRD_001074 1 7  GLY GLY N Y 
PRD_001074 1 8  BB8 PHE N Y 
PRD_001074 1 9  BB9 CYS N Y 
PRD_001074 1 10 BB9 CYS N Y 
PRD_001074 1 11 MH6 SER N Y 
PRD_001074 1 12 8BB ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001074 2012-09-12 RCSB "Create molecule" 
PRD_001074 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001075
# 
_pdbx_reference_molecule.prd_id                       PRD_001075 
_pdbx_reference_molecule.name                         "N-[(2S)-3-(3-TERT-BUTYL-1,2,4-OXADIAZOL-5-YL)-1-({(2S)-1-[(4-METHYLBENZYL)AMINO]-1-OXO-4-PHENYLBUTAN-2-YL}AMINO)-1-OXOPROPAN-2-YL]-5-METHYL-1,2-OXAZOLE-3-CARBOXAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H38 N6 O5" 
_pdbx_reference_molecule.formula_weight               586.681 
_pdbx_reference_molecule.chem_comp_id                 P3N 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3SDK 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001075 
_pdbx_reference_entity_subcomponents.seq            "02J 02O HPE 02N" 
_pdbx_reference_entity_subcomponents.chem_comp_id   P3N 
# 
_pdbx_reference_entity_list.prd_id          PRD_001075 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001075 1 1 N   HPE 3 C 02O 2 sing 1 ? ? ? 
PRD_001075 1 2 N16 02N 4 C HPE 3 sing 1 ? ? ? 
PRD_001075 1 3 N   02O 2 C 02J 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001075 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001075 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001075 1 1 02J ? N Y 
PRD_001075 1 2 02O ? N Y 
PRD_001075 1 3 HPE ? N Y 
PRD_001075 1 4 02N ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001075 2012-09-12 RCSB "Create molecule"    
PRD_001075 2012-12-12 RCSB "Initial release"    
PRD_001075 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001076
# 
_pdbx_reference_molecule.prd_id                       PRD_001076 
_pdbx_reference_molecule.name                         '"N-[(benzyloxy)carbonyl]-L-valyl-N~5~-[amino(iminio)methyl]-L-ornithyl-N-[(3R)-6-{[amino(iminio)methyl]amino}-1-fluoro-2-oxohexan-3-yl]-L-prolinamide' 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H51 F N10 O6" 
_pdbx_reference_molecule.formula_weight               678.798 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3V4L 
# 
_pdbx_reference_entity_list.prd_id          PRD_001076 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "MALT1 Inhibitor" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001076 1 1 C1 PHQ 1 N  VAL 2 sing 1 ? ? ? 
PRD_001076 1 2 C  VAL 2 N  ARG 3 sing 1 ? ? ? 
PRD_001076 1 3 C  ARG 3 N  PRO 4 sing 1 ? ? ? 
PRD_001076 1 4 C  PRO 4 N  ARG 5 sing 1 ? ? ? 
PRD_001076 1 5 C  ARG 5 C1 CF0 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001076 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001076 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001076 1 1 PHQ ?   N Y 
PRD_001076 1 2 VAL VAL N Y 
PRD_001076 1 3 ARG ARG N Y 
PRD_001076 1 4 PRO PRO N Y 
PRD_001076 1 5 ARG ARG N Y 
PRD_001076 1 6 CF0 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001076 2012-09-12 RCSB "Create molecule"    
PRD_001076 2012-12-12 RCSB "Initial release"    
PRD_001076 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001077
# 
_pdbx_reference_molecule.prd_id                       PRD_001077 
_pdbx_reference_molecule.name                         "Cul1WHB-Dcn1P-stapled acetylated" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C71 H133 N17 O16 Se" 
_pdbx_reference_molecule.formula_weight               1559.880 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3TDZ 
# 
_pdbx_reference_entity_list.prd_id          PRD_001077 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001077 1 1  C  ACE 1  N  MSE 2  sing 1 ? ? ? 
PRD_001077 1 2  C  MSE 2  N  ILE 3  sing 1 ? ? ? 
PRD_001077 1 3  C  ILE 3  N  LYS 4  sing 1 ? ? ? 
PRD_001077 1 4  C  LYS 4  N  LEU 5  sing 1 ? ? ? 
PRD_001077 1 5  C  LEU 5  N  MK8 6  sing 1 ? ? ? 
PRD_001077 1 6  C  MK8 6  N  SER 7  sing 1 ? ? ? 
PRD_001077 1 7  CE MK8 6  CE MK8 10 doub 1 ? ? ? 
PRD_001077 1 8  C  SER 7  N  LEU 8  sing 1 ? ? ? 
PRD_001077 1 9  C  LEU 8  N  LYS 9  sing 1 ? ? ? 
PRD_001077 1 10 C  LYS 9  N  MK8 10 sing 1 ? ? ? 
PRD_001077 1 11 C  MK8 10 N  GLN 11 sing 1 ? ? ? 
PRD_001077 1 12 C  GLN 11 N  LYS 12 sing 1 ? ? ? 
PRD_001077 1 13 C  LYS 12 N  LYS 13 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001077 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         P61081 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001077 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001077 1 1  ACE ?   N Y 
PRD_001077 1 2  MSE MET N Y 
PRD_001077 1 3  ILE ILE N Y 
PRD_001077 1 4  LYS LYS N Y 
PRD_001077 1 5  LEU LEU N Y 
PRD_001077 1 6  MK8 LEU N Y 
PRD_001077 1 7  SER SER N Y 
PRD_001077 1 8  LEU LEU N Y 
PRD_001077 1 9  LYS LYS N Y 
PRD_001077 1 10 MK8 LEU N Y 
PRD_001077 1 11 GLN GLN N Y 
PRD_001077 1 12 LYS LYS N Y 
PRD_001077 1 13 LYS LYS N N 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001077 2012-09-12 RCSB "Create molecule"    
PRD_001077 2012-12-12 RCSB "Initial release"    
PRD_001077 2013-04-09 RCSB "Other modification" 
PRD_001077 2013-10-28 RCSB "Other modification" 
PRD_001077 2017-05-04 RCSB "Other modification" 
# 
data_PRD_001078
# 
_pdbx_reference_molecule.prd_id                       PRD_001078 
_pdbx_reference_molecule.name                         "Peptide inhibitor MPT-DPP-DAR-G-DPN-NH2" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H38 N9 O5 S" 
_pdbx_reference_molecule.formula_weight               552.670 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4KS6 
# 
_pdbx_reference_entity_list.prd_id          PRD_001078 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001078 1 1 C MPT 1 NG DPP 2 sing 1 ? ? ? 
PRD_001078 1 2 C DPP 2 N  DAR 3 sing 1 ? ? ? 
PRD_001078 1 3 C DAR 3 N  GLY 4 sing 1 ? ? ? 
PRD_001078 1 4 C GLY 4 N  DPN 5 sing 1 ? ? ? 
PRD_001078 1 5 C DPN 5 N  NH2 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001078 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001078 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001078 1 1 MPT ? N Y 
PRD_001078 1 2 DPP ? N Y 
PRD_001078 1 3 DAR ? N Y 
PRD_001078 1 4 GLY ? N Y 
PRD_001078 1 5 DPN ? N Y 
PRD_001078 1 6 NH2 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001078 2013-05-22 RCSB "Create molecule" 
PRD_001078 2014-06-25 RCSB "Initial release" 
# 
data_PRD_001079
# 
_pdbx_reference_molecule.prd_id                       PRD_001079 
_pdbx_reference_molecule.name                         "D-PHENYLALANYL-N-[(1-METHYLPYRIDINIUM-3-YL)METHYL]-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H27 N4 O2" 
_pdbx_reference_molecule.formula_weight               367.465 
_pdbx_reference_molecule.chem_comp_id                 10P 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3QTO 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001079 
_pdbx_reference_entity_subcomponents.seq            "DPN PRO NNJ" 
_pdbx_reference_entity_subcomponents.chem_comp_id   10P 
# 
_pdbx_reference_entity_list.prd_id          PRD_001079 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001079 1 1 C DPN 1 N   PRO 2 sing 1 ? ? ? 
PRD_001079 1 2 C PRO 2 N26 NNJ 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001079 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001079 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001079 1 1 DPN ? N Y 
PRD_001079 1 2 PRO ? N Y 
PRD_001079 1 3 NNJ ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001079 2012-09-12 RCSB "Create molecule" 
PRD_001079 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001080
# 
_pdbx_reference_molecule.prd_id                       PRD_001080 
_pdbx_reference_molecule.name                         "Peptide inhibitor MPT-DPP-ARG-G-LEU-NH2" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H40 N9 O5 S" 
_pdbx_reference_molecule.formula_weight               518.654 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4KTX 
# 
_pdbx_reference_entity_list.prd_id          PRD_001080 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001080 1 1 C MPT 1 NG DPP 2 sing 1 ? ? ? 
PRD_001080 1 2 C DPP 2 N  ARG 3 sing 1 ? ? ? 
PRD_001080 1 3 C ARG 3 N  GLY 4 sing 1 ? ? ? 
PRD_001080 1 4 C GLY 4 N  LEU 5 sing 1 ? ? ? 
PRD_001080 1 5 C LEU 5 N  NH2 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001080 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001080 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001080 1 1 MPT ? N Y 
PRD_001080 1 2 DPP ? N Y 
PRD_001080 1 3 ARG ? N Y 
PRD_001080 1 4 GLY ? N Y 
PRD_001080 1 5 LEU ? N Y 
PRD_001080 1 6 NH2 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001080 2013-05-22 RCSB "Create molecule"    
PRD_001080 2013-06-03 RCSB "Other modification" 
PRD_001080 2014-10-15 RCSB "Initial release"    
# 
data_PRD_001082
# 
_pdbx_reference_molecule.prd_id                       PRD_001082 
_pdbx_reference_molecule.name                         "Tripeptide fluoromethyl ketone inhibitor Z-VAE(OMe)-FMK" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H32 F N3 O7" 
_pdbx_reference_molecule.formula_weight               481.514 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4DM9 
# 
_pdbx_reference_entity_list.prd_id          PRD_001082 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001082 1 1 C1 PHQ 1 N  VAL 2 sing 1 ? ? ? 
PRD_001082 1 2 C  VAL 2 N  ALA 3 sing 1 ? ? ? 
PRD_001082 1 3 C  ALA 3 N  GME 4 sing 1 ? ? ? 
PRD_001082 1 4 C  GME 4 C1 CF0 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001082 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001082 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001082 1 1 PHQ ? N Y 
PRD_001082 1 2 VAL ? N Y 
PRD_001082 1 3 ALA ? N Y 
PRD_001082 1 4 GME ? N Y 
PRD_001082 1 5 CF0 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001082 2012-09-12 RCSB "Create molecule"    
PRD_001082 2012-12-12 RCSB "Initial release"    
PRD_001082 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001083
# 
_pdbx_reference_molecule.prd_id                       PRD_001083 
_pdbx_reference_molecule.name                         "D-PHENYLALANYL-N-[(1-METHYLPYRIDINIUM-4-YL)METHYL]-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H27 N4 O2" 
_pdbx_reference_molecule.formula_weight               367.465 
_pdbx_reference_molecule.chem_comp_id                 06P 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3QTV 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001083 
_pdbx_reference_entity_subcomponents.seq            "DPN PRO NNK" 
_pdbx_reference_entity_subcomponents.chem_comp_id   06P 
# 
_pdbx_reference_entity_list.prd_id          PRD_001083 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001083 1 1 C DPN 1 N   PRO 2 sing 1 ? ? ? 
PRD_001083 1 2 C PRO 2 N16 NNK 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001083 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001083 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001083 1 1 DPN ? N Y 
PRD_001083 1 2 PRO ? N Y 
PRD_001083 1 3 NNK ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001083 2012-09-12 RCSB "Create molecule" 
PRD_001083 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001084
# 
_pdbx_reference_molecule.prd_id                       PRD_001084 
_pdbx_reference_molecule.name                         "D-PHENYLALANYL-N-[(4-CHLORO-1-METHYLPYRIDINIUM-3-YL)METHYL]-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H26 Cl N4 O2" 
_pdbx_reference_molecule.formula_weight               401.910 
_pdbx_reference_molecule.chem_comp_id                 98P 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3QWC 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001084 
_pdbx_reference_entity_subcomponents.seq            "DPN PRO NNT" 
_pdbx_reference_entity_subcomponents.chem_comp_id   98P 
# 
_pdbx_reference_entity_list.prd_id          PRD_001084 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001084 1 1 C DPN 1 N   PRO 2 sing 1 ? ? ? 
PRD_001084 1 2 C PRO 2 N24 NNT 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001084 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001084 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001084 1 1 DPN ? N Y 
PRD_001084 1 2 PRO ? N Y 
PRD_001084 1 3 NNT ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001084 2012-09-12 RCSB "Create molecule" 
PRD_001084 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001085
# 
_pdbx_reference_molecule.prd_id                       PRD_001085 
_pdbx_reference_molecule.name                         "D-PHENYLALANYL-N-[(4-CHLORO-1-METHYLPYRIDINIUM-2-YL)METHYL]-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H26 Cl N4 O2" 
_pdbx_reference_molecule.formula_weight               401.910 
_pdbx_reference_molecule.chem_comp_id                 02P 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3QX5 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001085 
_pdbx_reference_entity_subcomponents.seq            "DPN PRO NNX" 
_pdbx_reference_entity_subcomponents.chem_comp_id   02P 
# 
_pdbx_reference_entity_list.prd_id          PRD_001085 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001085 1 1 C DPN 1 N   PRO 2 sing 1 ? ? ? 
PRD_001085 1 2 C PRO 2 N18 NNX 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001085 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001085 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001085 1 1 DPN ? N Y 
PRD_001085 1 2 PRO ? N Y 
PRD_001085 1 3 NNX ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001085 2012-09-12 RCSB "Create molecule" 
PRD_001085 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001086
# 
_pdbx_reference_molecule.prd_id                       PRD_001086 
_pdbx_reference_molecule.name                         "Microviridin J" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C80 H108 N19 O22" 
_pdbx_reference_molecule.formula_weight               1687.828 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4KTS 
# 
_pdbx_reference_entity_list.prd_id          PRD_001086 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001086 1 1  C   ACE 1  N  ILE 2  sing 1 ? ? ? 
PRD_001086 1 2  C   ILE 2  N  SER 3  sing 1 ? ? ? 
PRD_001086 1 3  C   SER 3  N  THR 4  sing 1 ? ? ? 
PRD_001086 1 4  C   THR 4  N  ARG 5  sing 1 ? ? ? 
PRD_001086 1 5  OG1 THR 4  CG ASP 10 sing 1 ? ? ? 
PRD_001086 1 6  C   ARG 5  N  LYS 6  sing 1 ? ? ? 
PRD_001086 1 7  C   LYS 6  N  TYR 7  sing 1 ? ? ? 
PRD_001086 1 8  NZ  LYS 6  CD GLU 13 sing 1 ? ? ? 
PRD_001086 1 9  C   TYR 7  N  PRO 8  sing 1 ? ? ? 
PRD_001086 1 10 C   PRO 8  N  SER 9  sing 1 ? ? ? 
PRD_001086 1 11 C   SER 9  N  ASP 10 sing 1 ? ? ? 
PRD_001086 1 12 OG  SER 9  CD GLU 12 sing 1 ? ? ? 
PRD_001086 1 13 C   ASP 10 N  TRP 11 sing 1 ? ? ? 
PRD_001086 1 14 C   TRP 11 N  GLU 12 sing 1 ? ? ? 
PRD_001086 1 15 C   GLU 12 N  GLU 13 sing 1 ? ? ? 
PRD_001086 1 16 C   GLU 13 N  TRP 14 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001086 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         B2G3C8 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001086 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001086 1 1  ACE ?   N Y 
PRD_001086 1 2  ILE ILE N Y 
PRD_001086 1 3  SER SER N Y 
PRD_001086 1 4  THR THR N Y 
PRD_001086 1 5  ARG ARG N Y 
PRD_001086 1 6  LYS LYS N Y 
PRD_001086 1 7  TYR TYR N Y 
PRD_001086 1 8  PRO PRO N Y 
PRD_001086 1 9  SER SER N Y 
PRD_001086 1 10 ASP ASP N Y 
PRD_001086 1 11 TRP TRP N Y 
PRD_001086 1 12 GLU GLU N Y 
PRD_001086 1 13 GLU GLU N Y 
PRD_001086 1 14 TRP TRP N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001086 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 507735 
_pdbx_reference_entity_src_nat.organism_scientific   "Microcystis aeruginosa MRC" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001086 2013-05-31 RCSB "Create molecule" 
PRD_001086 2014-04-02 RCSB "Initial release" 
# 
data_PRD_001087
# 
_pdbx_reference_molecule.prd_id                       PRD_001087 
_pdbx_reference_molecule.name                         "N-(BENZYLSULFONYL)GLYCYL-N-(4-CARBAMIMIDOYLBENZYL)-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H27 N5 O4 S" 
_pdbx_reference_molecule.formula_weight               457.546 
_pdbx_reference_molecule.chem_comp_id                 S28 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3RLW 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001087 
_pdbx_reference_entity_subcomponents.seq            "PMS GLY PRO 00S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   S28 
# 
_pdbx_reference_entity_list.prd_id          PRD_001087 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001087 1 1 S PMS 1 N   GLY 2 sing 1 ? ? ? 
PRD_001087 1 2 C GLY 2 N   PRO 3 sing 1 ? ? ? 
PRD_001087 1 3 C PRO 3 N23 00S 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001087 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001087 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001087 1 1 PMS ? N Y 
PRD_001087 1 2 GLY ? N Y 
PRD_001087 1 3 PRO ? N Y 
PRD_001087 1 4 00S ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001087 2012-09-12 RCSB "Create molecule" 
PRD_001087 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001088
# 
_pdbx_reference_molecule.prd_id                       PRD_001088 
_pdbx_reference_molecule.name                         "D-peptide inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C75 H106 N17 O17" 
_pdbx_reference_molecule.formula_weight               1517.748 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3IWY 
# 
_pdbx_reference_entity_list.prd_id          PRD_001088 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001088 1 1  C DAS 1  N DTR 2  sing 1 ? ? ? 
PRD_001088 1 2  C DTR 2  N DTR 3  sing 1 ? ? ? 
PRD_001088 1 3  C DTR 3  N DPR 4  sing 1 ? ? ? 
PRD_001088 1 4  C DPR 4  N DLE 5  sing 1 ? ? ? 
PRD_001088 1 5  C DLE 5  N DAL 6  sing 1 ? ? ? 
PRD_001088 1 6  C DAL 6  N DPN 7  sing 1 ? ? ? 
PRD_001088 1 7  C DPN 7  N DGL 8  sing 1 ? ? ? 
PRD_001088 1 8  C DGL 8  N DAL 9  sing 1 ? ? ? 
PRD_001088 1 9  C DAL 9  N DLE 10 sing 1 ? ? ? 
PRD_001088 1 10 C DLE 10 N DLE 11 sing 1 ? ? ? 
PRD_001088 1 11 C DLE 11 N DAR 12 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001088 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001088 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001088 1 1  DAS ? N Y 
PRD_001088 1 2  DTR ? N Y 
PRD_001088 1 3  DTR ? N Y 
PRD_001088 1 4  DPR ? N Y 
PRD_001088 1 5  DLE ? N Y 
PRD_001088 1 6  DAL ? N Y 
PRD_001088 1 7  DPN ? N Y 
PRD_001088 1 8  DGL ? N Y 
PRD_001088 1 9  DAL ? N Y 
PRD_001088 1 10 DLE ? N Y 
PRD_001088 1 11 DLE ? N Y 
PRD_001088 1 12 DAR ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001088 2012-09-12 RCSB "Create molecule"    
PRD_001088 2012-12-12 RCSB "Initial release"    
PRD_001088 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001090
# 
_pdbx_reference_molecule.prd_id                       PRD_001090 
_pdbx_reference_molecule.name                         "N-(BENZYLSULFONYL)GLYCYL-N-[2-(AMINOMETHYL)-5-CHLOROBENZYL]-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H27 Cl N4 O4 S" 
_pdbx_reference_molecule.formula_weight               478.992 
_pdbx_reference_molecule.chem_comp_id                 M31 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3RML 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001090 
_pdbx_reference_entity_subcomponents.seq            "PMS GLY PRO 00T" 
_pdbx_reference_entity_subcomponents.chem_comp_id   M31 
# 
_pdbx_reference_entity_list.prd_id          PRD_001090 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001090 1 1 S PMS 1 N   GLY 2 sing 1 ? ? ? 
PRD_001090 1 2 C GLY 2 N   PRO 3 sing 1 ? ? ? 
PRD_001090 1 3 C PRO 3 N19 00T 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001090 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001090 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001090 1 1 PMS ? N Y 
PRD_001090 1 2 GLY ? N Y 
PRD_001090 1 3 PRO ? N Y 
PRD_001090 1 4 00T ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001090 2012-09-12 RCSB "Create molecule" 
PRD_001090 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001091
# 
_pdbx_reference_molecule.prd_id                       PRD_001091 
_pdbx_reference_molecule.name                         "monomeric peptide inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C72 H103 N19 O16 S2" 
_pdbx_reference_molecule.formula_weight               1554.836 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3M17 
# 
_pdbx_reference_entity_list.prd_id          PRD_001091 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001091 1 1  C  ACE 1  N  ARG 2  sing 1 ? ? ? 
PRD_001091 1 2  C  ARG 2  N  PHE 3  sing 1 ? ? ? 
PRD_001091 1 3  C  PHE 3  N  LE1 4  sing 1 ? ? ? 
PRD_001091 1 4  C  LE1 4  N  THR 5  sing 1 ? ? ? 
PRD_001091 1 5  SG LE1 4  SG CYS 14 sing 1 ? ? ? 
PRD_001091 1 6  C  THR 5  N  GLY 6  sing 1 ? ? ? 
PRD_001091 1 7  C  GLY 6  N  HIS 7  sing 1 ? ? ? 
PRD_001091 1 8  C  HIS 7  N  PHE 8  sing 1 ? ? ? 
PRD_001091 1 9  C  PHE 8  N  GLY 9  sing 1 ? ? ? 
PRD_001091 1 10 C  GLY 9  N  SAR 10 sing 1 ? ? ? 
PRD_001091 1 11 C  SAR 10 N  MLE 11 sing 1 ? ? ? 
PRD_001091 1 12 C  MLE 11 N  TYR 12 sing 1 ? ? ? 
PRD_001091 1 13 C  TYR 12 N  PRO 13 sing 1 ? ? ? 
PRD_001091 1 14 C  PRO 13 N  CYS 14 sing 1 ? ? ? 
PRD_001091 1 15 C  CYS 14 N  NH2 15 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001091 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001091 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001091 1 1  ACE ?   N Y 
PRD_001091 1 2  ARG ARG N Y 
PRD_001091 1 3  PHE PHE N Y 
PRD_001091 1 4  LE1 VAL N Y 
PRD_001091 1 5  THR THR N Y 
PRD_001091 1 6  GLY GLY N Y 
PRD_001091 1 7  HIS HIS N Y 
PRD_001091 1 8  PHE PHE N Y 
PRD_001091 1 9  GLY GLY N Y 
PRD_001091 1 10 SAR GLY N Y 
PRD_001091 1 11 MLE LEU N Y 
PRD_001091 1 12 TYR TYR N Y 
PRD_001091 1 13 PRO PRO N Y 
PRD_001091 1 14 CYS CYS N Y 
PRD_001091 1 15 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001091 2012-09-12 RCSB "Create molecule"    
PRD_001091 2012-12-12 RCSB "Initial release"    
PRD_001091 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001092
# 
_pdbx_reference_molecule.prd_id                       PRD_001092 
_pdbx_reference_molecule.name                         "D-phenylalanyl-L-prolyl-N~5~-[amino(iminio)methyl]-D-ornithyl-L-cysteinamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H37 N8 O4 S" 
_pdbx_reference_molecule.formula_weight               521.656 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3U8T 
# 
_pdbx_reference_entity_list.prd_id          PRD_001092 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001092 1 1 C DPN 1 N PRO 2 sing 1 ? ? ? 
PRD_001092 1 2 C PRO 2 N DAR 3 sing 1 ? ? ? 
PRD_001092 1 3 C DAR 3 N CYS 4 sing 1 ? ? ? 
PRD_001092 1 4 C CYS 4 N NH2 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001092 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001092 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001092 1 1 DPN ?   N Y 
PRD_001092 1 2 PRO PRO N Y 
PRD_001092 1 3 DAR ?   N Y 
PRD_001092 1 4 CYS CYS N Y 
PRD_001092 1 5 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001092 2012-09-12 RCSB "Create molecule"    
PRD_001092 2012-12-12 RCSB "Initial release"    
PRD_001092 2013-05-29 RCSB "Modify class"       
PRD_001092 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001093
# 
_pdbx_reference_molecule.prd_id                       PRD_001093 
_pdbx_reference_molecule.name                         "D-phenylalanyl-L-prolyl-N~5~-[amino(iminio)methyl]-D-ornithyl-L-isoleucinamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H43 N8 O4" 
_pdbx_reference_molecule.formula_weight               531.671 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3U8R 
# 
_pdbx_reference_entity_list.prd_id          PRD_001093 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001093 1 1 C DPN 1 N PRO 2 sing 1 ? ? ? 
PRD_001093 1 2 C PRO 2 N DAR 3 sing 1 ? ? ? 
PRD_001093 1 3 C DAR 3 N ILE 4 sing 1 ? ? ? 
PRD_001093 1 4 C ILE 4 N NH2 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001093 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001093 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001093 1 1 DPN ?   N Y 
PRD_001093 1 2 PRO PRO N Y 
PRD_001093 1 3 DAR ?   N Y 
PRD_001093 1 4 ILE ILE N Y 
PRD_001093 1 5 NH2 ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001093 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 32630 
_pdbx_reference_entity_src_nat.organism_scientific   "synthetic construct" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001093 2012-09-12 RCSB "Create molecule"    
PRD_001093 2012-12-12 RCSB "Initial release"    
PRD_001093 2013-05-29 RCSB "Modify class"       
PRD_001093 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001094
# 
_pdbx_reference_molecule.prd_id                       PRD_001094 
_pdbx_reference_molecule.name                         "CD4-MIMETIC MINIPROTEIN M48U1" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C133 H216 N38 O32 S6" 
_pdbx_reference_molecule.formula_weight               3051.764 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "THE CD4-MIMETIC MINIPROTEINS INHIBIT HIV-1 ENTRY AND ARE DERIVED FROM SCYLLATOXIN (A SCORPION TOXIN) BY TRANSPLANTING THE GP120-INTERACTIVE REGION OF CD4 ONTO THE SCYLLATOXIN SCAFFOLD, FOLLOWED BY MANY ROUNDS OF ITERATIVE OPTIMIZATION" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4JZW 
# 
_pdbx_reference_entity_list.prd_id          PRD_001094 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001094 1 1  C  MPT 1  N  ASN 2  sing 1 ? ? ? 
PRD_001094 1 2  SG MPT 1  SG CYS 19 sing 1 ? ? ? 
PRD_001094 1 3  C  ASN 2  N  LEU 3  sing 1 ? ? ? 
PRD_001094 1 4  C  LEU 3  N  HIS 4  sing 1 ? ? ? 
PRD_001094 1 5  C  HIS 4  N  PHE 5  sing 1 ? ? ? 
PRD_001094 1 6  C  PHE 5  N  CYS 6  sing 1 ? ? ? 
PRD_001094 1 7  C  CYS 6  N  GLN 7  sing 1 ? ? ? 
PRD_001094 1 8  SG CYS 6  SG CYS 24 sing 1 ? ? ? 
PRD_001094 1 9  C  GLN 7  N  LEU 8  sing 1 ? ? ? 
PRD_001094 1 10 C  LEU 8  N  ARG 9  sing 1 ? ? ? 
PRD_001094 1 11 C  ARG 9  N  CYS 10 sing 1 ? ? ? 
PRD_001094 1 12 C  CYS 10 N  LYS 11 sing 1 ? ? ? 
PRD_001094 1 13 SG CYS 10 SG CYS 26 sing 1 ? ? ? 
PRD_001094 1 14 C  LYS 11 N  SER 12 sing 1 ? ? ? 
PRD_001094 1 15 C  SER 12 N  LEU 13 sing 1 ? ? ? 
PRD_001094 1 16 C  LEU 13 N  GLY 14 sing 1 ? ? ? 
PRD_001094 1 17 C  GLY 14 N  LEU 15 sing 1 ? ? ? 
PRD_001094 1 18 C  LEU 15 N  LEU 16 sing 1 ? ? ? 
PRD_001094 1 19 C  LEU 16 N  GLY 17 sing 1 ? ? ? 
PRD_001094 1 20 C  GLY 17 N  ARG 18 sing 1 ? ? ? 
PRD_001094 1 21 C  ARG 18 N  CYS 19 sing 1 ? ? ? 
PRD_001094 1 22 C  CYS 19 N  ALA 20 sing 1 ? ? ? 
PRD_001094 1 23 C  ALA 20 N  DPR 21 sing 1 ? ? ? 
PRD_001094 1 24 C  DPR 21 N  THR 22 sing 1 ? ? ? 
PRD_001094 1 25 C  THR 22 N  U2X 23 sing 1 ? ? ? 
PRD_001094 1 26 C  U2X 23 N  CYS 24 sing 1 ? ? ? 
PRD_001094 1 27 C  CYS 24 N  ALA 25 sing 1 ? ? ? 
PRD_001094 1 28 C  ALA 25 N  CYS 26 sing 1 ? ? ? 
PRD_001094 1 29 C  CYS 26 N  VAL 27 sing 1 ? ? ? 
PRD_001094 1 30 C  VAL 27 N  NH2 28 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001094 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001094 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001094 1 1  MPT ?   N Y 
PRD_001094 1 2  ASN ASN N Y 
PRD_001094 1 3  LEU LEU N Y 
PRD_001094 1 4  HIS HIS N Y 
PRD_001094 1 5  PHE PHE N Y 
PRD_001094 1 6  CYS CYS N Y 
PRD_001094 1 7  GLN GLN N Y 
PRD_001094 1 8  LEU LEU N Y 
PRD_001094 1 9  ARG ARG N Y 
PRD_001094 1 10 CYS CYS N Y 
PRD_001094 1 11 LYS LYS N Y 
PRD_001094 1 12 SER SER N Y 
PRD_001094 1 13 LEU LEU N Y 
PRD_001094 1 14 GLY GLY N Y 
PRD_001094 1 15 LEU LEU N Y 
PRD_001094 1 16 LEU LEU N Y 
PRD_001094 1 17 GLY GLY N Y 
PRD_001094 1 18 ARG ARG N Y 
PRD_001094 1 19 CYS CYS N Y 
PRD_001094 1 20 ALA ALA N Y 
PRD_001094 1 21 DPR PRO N Y 
PRD_001094 1 22 THR THR N Y 
PRD_001094 1 23 U2X TYR N Y 
PRD_001094 1 24 CYS CYS N Y 
PRD_001094 1 25 ALA ALA N Y 
PRD_001094 1 26 CYS CYS N Y 
PRD_001094 1 27 VAL VAL N Y 
PRD_001094 1 28 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001094 2013-06-04 RCSB "Create molecule" 
PRD_001094 2013-06-12 RCSB "Initial release" 
# 
data_PRD_001095
# 
_pdbx_reference_molecule.prd_id                       PRD_001095 
_pdbx_reference_molecule.name                         "N~2~-[(2S)-2-{[(benzyloxy)carbonyl]amino}-7-ethoxy-7-oxoheptanoyl]-L-glutaminyl-L-prolyl-L-leucine" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C33 H49 N5 O10" 
_pdbx_reference_molecule.formula_weight               675.770 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3S3P 
# 
_pdbx_reference_entity_list.prd_id          PRD_001095 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001095 1 1 C1 PHQ 1 N XW1 2 sing 1 ? ? ? 
PRD_001095 1 2 C  XW1 2 N GLN 3 sing 1 ? ? ? 
PRD_001095 1 3 C  GLN 3 N PRO 4 sing 1 ? ? ? 
PRD_001095 1 4 C  PRO 4 N LEU 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001095 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001095 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001095 1 1 PHQ ? N Y 
PRD_001095 1 2 XW1 ? N Y 
PRD_001095 1 3 GLN ? N Y 
PRD_001095 1 4 PRO ? N Y 
PRD_001095 1 5 LEU ? N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001095 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 32630 
_pdbx_reference_entity_src_nat.organism_scientific   "synthetic construct" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001095 2012-09-12 RCSB "Create molecule"    
PRD_001095 2012-12-12 RCSB "Initial release"    
PRD_001095 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001096
# 
_pdbx_reference_molecule.prd_id                       PRD_001096 
_pdbx_reference_molecule.name                         TMC-95A 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C33 H38 N6 O10" 
_pdbx_reference_molecule.formula_weight               678.689 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;KNOWN AS PROTEASOME INHIBITOR, TMC-95A INHIBITED THE CHYMOTRYPSIN-LIKE (CHT-L), TRYPSIN-LIKE (T-L), AND
PEPTIDYLGLUTAMYL-PEPTIDE HYDROLYZING (PGPH) ACTIVITIES OF 20S PROTEASOME
;
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1JD2 
# 
_pdbx_reference_entity_list.prd_id          PRD_001096 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 5" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001096 1 1 C42 1QQ 1 N   TYR 2 sing 1 ? ? ? 
PRD_001096 1 2 C   TYR 2 N   ASN 3 sing 1 ? ? ? 
PRD_001096 1 3 CE1 TYR 2 C54 R4K 4 sing 1 ? ? ? 
PRD_001096 1 4 C   ASN 3 N   R4K 4 sing 1 ? ? ? 
PRD_001096 1 5 C   R4K 4 ND  AKK 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001096 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001096 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001096 1 1 1QQ ? N Y 
PRD_001096 1 2 TYR ? N Y 
PRD_001096 1 3 ASN ? N Y 
PRD_001096 1 4 R4K ? N Y 
PRD_001096 1 5 AKK ? N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001096 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 255776 
_pdbx_reference_entity_src_nat.organism_scientific   "Apiospora montagnei" 
_pdbx_reference_entity_src_nat.source                PubMed 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001096 2012-09-12 RCSB "Create molecule"    
PRD_001096 2012-12-12 RCSB "Initial release"    
PRD_001096 2013-06-03 RCSB "Other modification" 
PRD_001096 2020-07-29 RCSB "Other modification" 
# 
data_PRD_001097
# 
_pdbx_reference_molecule.prd_id                       PRD_001097 
_pdbx_reference_molecule.name                         "Trypsin inhibitor 1" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Trypsin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C67 H106 N18 O18 S2" 
_pdbx_reference_molecule.formula_weight               1515.798 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3P8F 
# 
_pdbx_reference_entity_list.prd_id          PRD_001097 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001097 1 1  N  GLY 1  C  ASP 14 sing 1 ? ? ? 
PRD_001097 1 2  C  GLY 1  N  ARG 2  sing 1 ? ? ? 
PRD_001097 1 3  C  ARG 2  N  CYS 3  sing 1 ? ? ? 
PRD_001097 1 4  C  CYS 3  N  THR 4  sing 1 ? ? ? 
PRD_001097 1 5  SG CYS 3  SG CYS 11 sing 1 ? ? ? 
PRD_001097 1 6  C  THR 4  N  LYS 5  sing 1 ? ? ? 
PRD_001097 1 7  C  LYS 5  N  SER 6  sing 1 ? ? ? 
PRD_001097 1 8  C  SER 6  N  ILE 7  sing 1 ? ? ? 
PRD_001097 1 9  C  ILE 7  N  PRO 8  sing 1 ? ? ? 
PRD_001097 1 10 C  PRO 8  N  PRO 9  sing 1 ? ? ? 
PRD_001097 1 11 C  PRO 9  N  ILE 10 sing 1 ? ? ? 
PRD_001097 1 12 C  ILE 10 N  CYS 11 sing 1 ? ? ? 
PRD_001097 1 13 C  CYS 11 N  PHE 12 sing 1 ? ? ? 
PRD_001097 1 14 C  PHE 12 N  PRO 13 sing 1 ? ? ? 
PRD_001097 1 15 C  PRO 13 N  ASP 14 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001097 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         Q4GWU5 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001097 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001097 1 1  GLY GLY N Y 
PRD_001097 1 2  ARG ARG N Y 
PRD_001097 1 3  CYS CYS N Y 
PRD_001097 1 4  THR THR N Y 
PRD_001097 1 5  LYS LYS N Y 
PRD_001097 1 6  SER SER N Y 
PRD_001097 1 7  ILE ILE N Y 
PRD_001097 1 8  PRO PRO N Y 
PRD_001097 1 9  PRO PRO N Y 
PRD_001097 1 10 ILE ILE N Y 
PRD_001097 1 11 CYS CYS N Y 
PRD_001097 1 12 PHE PHE N Y 
PRD_001097 1 13 PRO PRO N Y 
PRD_001097 1 14 ASP ASP N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001097 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 4232 
_pdbx_reference_entity_src_nat.organism_scientific   "Helianthus annuus" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001097 2012-09-12 RCSB "Create molecule" 
PRD_001097 2014-04-23 RCSB "Initial release" 
# 
data_PRD_001098
# 
_pdbx_reference_molecule.prd_id                       PRD_001098 
_pdbx_reference_molecule.name                         "TMC-95A mimic ligand 2b" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C42 H47 N5 O8" 
_pdbx_reference_molecule.formula_weight               749.851 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3NZW 
# 
_pdbx_reference_entity_list.prd_id          PRD_001098 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 5" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001098 1 1 C BOC 1 N TY5 2 sing 1 ? ? ? 
PRD_001098 1 2 C TY5 2 N ALA 3 sing 1 ? ? ? 
PRD_001098 1 3 C ALA 3 N RE0 4 sing 1 ? ? ? 
PRD_001098 1 4 C RE0 4 N ABN 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001098 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001098 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001098 1 1 BOC ? N Y 
PRD_001098 1 2 TY5 ? N Y 
PRD_001098 1 3 ALA ? N Y 
PRD_001098 1 4 RE0 ? N Y 
PRD_001098 1 5 ABN ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001098 2012-09-12 RCSB "Create molecule"    
PRD_001098 2012-12-12 RCSB "Initial release"    
PRD_001098 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001099
# 
_pdbx_reference_molecule.prd_id                       PRD_001099 
_pdbx_reference_molecule.name                         "CD4-MIMETIC MINIPROTEIN M48U7" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C131 H214 N38 O33 S6" 
_pdbx_reference_molecule.formula_weight               3041.726 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "THE CD4-MIMETIC MINIPROTEINS INHIBIT HIV-1 ENTRY AND ARE DERIVED FROM SCYLLATOXIN (A SCORPION TOXIN) BY TRANSPLANTING THE GP120-INTERACTIVE REGION OF CD4 ONTO THE SCYLLATOXIN SCAFFOLD, FOLLOWED BY MANY ROUNDS OF ITERATIVE OPTIMIZATION" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4K0A 
# 
_pdbx_reference_entity_list.prd_id          PRD_001099 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001099 1 1  C  MPT 1  N  ASN 2  sing 1 ? ? ? 
PRD_001099 1 2  SG MPT 1  SG CYS 19 sing 1 ? ? ? 
PRD_001099 1 3  C  ASN 2  N  LEU 3  sing 1 ? ? ? 
PRD_001099 1 4  C  LEU 3  N  HIS 4  sing 1 ? ? ? 
PRD_001099 1 5  C  HIS 4  N  PHE 5  sing 1 ? ? ? 
PRD_001099 1 6  C  PHE 5  N  CYS 6  sing 1 ? ? ? 
PRD_001099 1 7  C  CYS 6  N  GLN 7  sing 1 ? ? ? 
PRD_001099 1 8  SG CYS 6  SG CYS 24 sing 1 ? ? ? 
PRD_001099 1 9  C  GLN 7  N  LEU 8  sing 1 ? ? ? 
PRD_001099 1 10 C  LEU 8  N  ARG 9  sing 1 ? ? ? 
PRD_001099 1 11 C  ARG 9  N  CYS 10 sing 1 ? ? ? 
PRD_001099 1 12 C  CYS 10 N  LYS 11 sing 1 ? ? ? 
PRD_001099 1 13 SG CYS 10 SG CYS 26 sing 1 ? ? ? 
PRD_001099 1 14 C  LYS 11 N  SER 12 sing 1 ? ? ? 
PRD_001099 1 15 C  SER 12 N  LEU 13 sing 1 ? ? ? 
PRD_001099 1 16 C  LEU 13 N  GLY 14 sing 1 ? ? ? 
PRD_001099 1 17 C  GLY 14 N  LEU 15 sing 1 ? ? ? 
PRD_001099 1 18 C  LEU 15 N  LEU 16 sing 1 ? ? ? 
PRD_001099 1 19 C  LEU 16 N  GLY 17 sing 1 ? ? ? 
PRD_001099 1 20 C  GLY 17 N  ARG 18 sing 1 ? ? ? 
PRD_001099 1 21 C  ARG 18 N  CYS 19 sing 1 ? ? ? 
PRD_001099 1 22 C  CYS 19 N  ALA 20 sing 1 ? ? ? 
PRD_001099 1 23 C  ALA 20 N  DPR 21 sing 1 ? ? ? 
PRD_001099 1 24 C  DPR 21 N  THR 22 sing 1 ? ? ? 
PRD_001099 1 25 C  THR 22 N  1OP 23 sing 1 ? ? ? 
PRD_001099 1 26 C  1OP 23 N  CYS 24 sing 1 ? ? ? 
PRD_001099 1 27 C  CYS 24 N  ALA 25 sing 1 ? ? ? 
PRD_001099 1 28 C  ALA 25 N  CYS 26 sing 1 ? ? ? 
PRD_001099 1 29 C  CYS 26 N  VAL 27 sing 1 ? ? ? 
PRD_001099 1 30 C  VAL 27 N  NH2 28 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001099 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001099 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001099 1 1  MPT ?   N Y 
PRD_001099 1 2  ASN ASN N Y 
PRD_001099 1 3  LEU LEU N Y 
PRD_001099 1 4  HIS HIS N Y 
PRD_001099 1 5  PHE PHE N Y 
PRD_001099 1 6  CYS CYS N Y 
PRD_001099 1 7  GLN GLN N Y 
PRD_001099 1 8  LEU LEU N Y 
PRD_001099 1 9  ARG ARG N Y 
PRD_001099 1 10 CYS CYS N Y 
PRD_001099 1 11 LYS LYS N Y 
PRD_001099 1 12 SER SER N Y 
PRD_001099 1 13 LEU LEU N Y 
PRD_001099 1 14 GLY GLY N Y 
PRD_001099 1 15 LEU LEU N Y 
PRD_001099 1 16 LEU LEU N Y 
PRD_001099 1 17 GLY GLY N Y 
PRD_001099 1 18 ARG ARG N Y 
PRD_001099 1 19 CYS CYS N Y 
PRD_001099 1 20 ALA ALA N Y 
PRD_001099 1 21 DPR PRO N Y 
PRD_001099 1 22 THR THR N Y 
PRD_001099 1 23 1OP TYR N Y 
PRD_001099 1 24 CYS CYS N Y 
PRD_001099 1 25 ALA ALA N Y 
PRD_001099 1 26 CYS CYS N Y 
PRD_001099 1 27 VAL VAL N Y 
PRD_001099 1 28 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001099 2013-06-04 RCSB "Create molecule" 
PRD_001099 2013-06-12 RCSB "Initial release" 
# 
data_PRD_001100
# 
_pdbx_reference_molecule.prd_id                       PRD_001100 
_pdbx_reference_molecule.name                         "N-(BENZYLSULFONYL)-D-ALANYL-N-(4-CARBAMIMIDOYLBENZYL)-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H29 N5 O4 S" 
_pdbx_reference_molecule.formula_weight               471.572 
_pdbx_reference_molecule.chem_comp_id                 S29 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3RLY 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001100 
_pdbx_reference_entity_subcomponents.seq            "PMS DAL PRO 00S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   S29 
# 
_pdbx_reference_entity_list.prd_id          PRD_001100 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001100 1 1 S PMS 1 N   DAL 2 sing 1 ? ? ? 
PRD_001100 1 2 C DAL 2 N   PRO 3 sing 1 ? ? ? 
PRD_001100 1 3 C PRO 3 N23 00S 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001100 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001100 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001100 1 1 PMS ? N Y 
PRD_001100 1 2 DAL ? N Y 
PRD_001100 1 3 PRO ? N Y 
PRD_001100 1 4 00S ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001100 2012-09-12 RCSB "Create molecule" 
PRD_001100 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001101
# 
_pdbx_reference_molecule.prd_id                       PRD_001101 
_pdbx_reference_molecule.name                         "N-(BENZYLSULFONYL)-D-VALYL-N-(4-CARBAMIMIDOYLBENZYL)-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H33 N5 O4 S" 
_pdbx_reference_molecule.formula_weight               499.626 
_pdbx_reference_molecule.chem_comp_id                 S54 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3RM0 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001101 
_pdbx_reference_entity_subcomponents.seq            "PMS DVA PRO 00S" 
_pdbx_reference_entity_subcomponents.chem_comp_id   S54 
# 
_pdbx_reference_entity_list.prd_id          PRD_001101 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001101 1 1 S PMS 1 N   DVA 2 sing 1 ? ? ? 
PRD_001101 1 2 C DVA 2 N   PRO 3 sing 1 ? ? ? 
PRD_001101 1 3 C PRO 3 N23 00S 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001101 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001101 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001101 1 1 PMS ? N Y 
PRD_001101 1 2 DVA ? N Y 
PRD_001101 1 3 PRO ? N Y 
PRD_001101 1 4 00S ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001101 2012-09-12 RCSB "Create molecule" 
PRD_001101 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001102
# 
_pdbx_reference_molecule.prd_id                       PRD_001102 
_pdbx_reference_molecule.name                         "CD4-MIMETIC MINIPROTEIN M48U12" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C133 H217 N39 O31 S6" 
_pdbx_reference_molecule.formula_weight               3050.779 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "THE CD4-MIMETIC MINIPROTEINS INHIBIT HIV-1 ENTRY AND ARE DERIVED FROM SCYLLATOXIN (A SCORPION TOXIN) BY TRANSPLANTING THE GP120-INTERACTIVE REGION OF CD4 ONTO THE SCYLLATOXIN SCAFFOLD, FOLLOWED BY MANY ROUNDS OF ITERATIVE OPTIMIZATION" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4KA2 
# 
_pdbx_reference_entity_list.prd_id          PRD_001102 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001102 1 1  C  MPT 1  N  ASN 2  sing 1 ? ? ? 
PRD_001102 1 2  SG MPT 1  SG CYS 19 sing 1 ? ? ? 
PRD_001102 1 3  C  ASN 2  N  LEU 3  sing 1 ? ? ? 
PRD_001102 1 4  C  LEU 3  N  HIS 4  sing 1 ? ? ? 
PRD_001102 1 5  C  HIS 4  N  PHE 5  sing 1 ? ? ? 
PRD_001102 1 6  C  PHE 5  N  CYS 6  sing 1 ? ? ? 
PRD_001102 1 7  C  CYS 6  N  GLN 7  sing 1 ? ? ? 
PRD_001102 1 8  SG CYS 6  SG CYS 24 sing 1 ? ? ? 
PRD_001102 1 9  C  GLN 7  N  LEU 8  sing 1 ? ? ? 
PRD_001102 1 10 C  LEU 8  N  ARG 9  sing 1 ? ? ? 
PRD_001102 1 11 C  ARG 9  N  CYS 10 sing 1 ? ? ? 
PRD_001102 1 12 C  CYS 10 N  LYS 11 sing 1 ? ? ? 
PRD_001102 1 13 SG CYS 10 SG CYS 26 sing 1 ? ? ? 
PRD_001102 1 14 C  LYS 11 N  SER 12 sing 1 ? ? ? 
PRD_001102 1 15 C  SER 12 N  LEU 13 sing 1 ? ? ? 
PRD_001102 1 16 C  LEU 13 N  GLY 14 sing 1 ? ? ? 
PRD_001102 1 17 C  GLY 14 N  LEU 15 sing 1 ? ? ? 
PRD_001102 1 18 C  LEU 15 N  LEU 16 sing 1 ? ? ? 
PRD_001102 1 19 C  LEU 16 N  GLY 17 sing 1 ? ? ? 
PRD_001102 1 20 C  GLY 17 N  ARG 18 sing 1 ? ? ? 
PRD_001102 1 21 C  ARG 18 N  CYS 19 sing 1 ? ? ? 
PRD_001102 1 22 C  CYS 19 N  ALA 20 sing 1 ? ? ? 
PRD_001102 1 23 C  ALA 20 N  DPR 21 sing 1 ? ? ? 
PRD_001102 1 24 C  DPR 21 N  THR 22 sing 1 ? ? ? 
PRD_001102 1 25 C  THR 22 N  U3X 23 sing 1 ? ? ? 
PRD_001102 1 26 C  U3X 23 N  CYS 24 sing 1 ? ? ? 
PRD_001102 1 27 C  CYS 24 N  ALA 25 sing 1 ? ? ? 
PRD_001102 1 28 C  ALA 25 N  CYS 26 sing 1 ? ? ? 
PRD_001102 1 29 C  CYS 26 N  VAL 27 sing 1 ? ? ? 
PRD_001102 1 30 C  VAL 27 N  NH2 28 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001102 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001102 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001102 1 1  MPT ?   N Y 
PRD_001102 1 2  ASN ASN N Y 
PRD_001102 1 3  LEU LEU N Y 
PRD_001102 1 4  HIS HIS N Y 
PRD_001102 1 5  PHE PHE N Y 
PRD_001102 1 6  CYS CYS N Y 
PRD_001102 1 7  GLN GLN N Y 
PRD_001102 1 8  LEU LEU N Y 
PRD_001102 1 9  ARG ARG N Y 
PRD_001102 1 10 CYS CYS N Y 
PRD_001102 1 11 LYS LYS N Y 
PRD_001102 1 12 SER SER N Y 
PRD_001102 1 13 LEU LEU N Y 
PRD_001102 1 14 GLY GLY N Y 
PRD_001102 1 15 LEU LEU N Y 
PRD_001102 1 16 LEU LEU N Y 
PRD_001102 1 17 GLY GLY N Y 
PRD_001102 1 18 ARG ARG N Y 
PRD_001102 1 19 CYS CYS N Y 
PRD_001102 1 20 ALA ALA N Y 
PRD_001102 1 21 DPR PRO N Y 
PRD_001102 1 22 THR THR N Y 
PRD_001102 1 23 U3X PHE N Y 
PRD_001102 1 24 CYS CYS N Y 
PRD_001102 1 25 ALA ALA N Y 
PRD_001102 1 26 CYS CYS N Y 
PRD_001102 1 27 VAL VAL N Y 
PRD_001102 1 28 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001102 2013-06-06 RCSB "Create molecule" 
PRD_001102 2013-06-19 RCSB "Initial release" 
# 
data_PRD_001103
# 
_pdbx_reference_molecule.prd_id                       PRD_001103 
_pdbx_reference_molecule.name                         "TMC-95A mimic ligand 2a" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C42 H47 N5 O7" 
_pdbx_reference_molecule.formula_weight               733.852 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3NZJ 
# 
_pdbx_reference_entity_list.prd_id          PRD_001103 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 5" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001103 1 1 C BOC 1 N TY5 2 sing 1 ? ? ? 
PRD_001103 1 2 C TY5 2 N ALA 3 sing 1 ? ? ? 
PRD_001103 1 3 C ALA 3 N TRO 4 sing 1 ? ? ? 
PRD_001103 1 4 C TRO 4 N ABN 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001103 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001103 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001103 1 1 BOC ? N Y 
PRD_001103 1 2 TY5 ? N Y 
PRD_001103 1 3 ALA ? N Y 
PRD_001103 1 4 TRO ? N Y 
PRD_001103 1 5 ABN ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001103 2012-09-12 RCSB "Create molecule"    
PRD_001103 2012-12-12 RCSB "Initial release"    
PRD_001103 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001104
# 
_pdbx_reference_molecule.prd_id                       PRD_001104 
_pdbx_reference_molecule.name                         "cyclic peptide S2iL5" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C90 H126 F3 N27 O23 S" 
_pdbx_reference_molecule.formula_weight               2043.191 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4L3O 
# 
_pdbx_reference_entity_list.prd_id          PRD_001104 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001104 1 1  C   ACY 1  N  TYR 2  sing 1 ? ? ? 
PRD_001104 1 2  CH3 ACY 1  SG CYS 15 sing 1 ? ? ? 
PRD_001104 1 3  C   TYR 2  N  HIS 3  sing 1 ? ? ? 
PRD_001104 1 4  C   HIS 3  N  THR 4  sing 1 ? ? ? 
PRD_001104 1 5  C   THR 4  N  TYR 5  sing 1 ? ? ? 
PRD_001104 1 6  C   TYR 5  N  HIS 6  sing 1 ? ? ? 
PRD_001104 1 7  C   HIS 6  N  VAL 7  sing 1 ? ? ? 
PRD_001104 1 8  C   VAL 7  N  FAK 8  sing 1 ? ? ? 
PRD_001104 1 9  C   FAK 8  N  ARG 9  sing 1 ? ? ? 
PRD_001104 1 10 C   ARG 9  N  ARG 10 sing 1 ? ? ? 
PRD_001104 1 11 C   ARG 10 N  THR 11 sing 1 ? ? ? 
PRD_001104 1 12 C   THR 11 N  ASN 12 sing 1 ? ? ? 
PRD_001104 1 13 C   ASN 12 N  TYR 13 sing 1 ? ? ? 
PRD_001104 1 14 C   TYR 13 N  TYR 14 sing 1 ? ? ? 
PRD_001104 1 15 C   TYR 14 N  CYS 15 sing 1 ? ? ? 
PRD_001104 1 16 C   CYS 15 N  NH2 16 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001104 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001104 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001104 1 1  ACY ?   N Y 
PRD_001104 1 2  TYR TYR N Y 
PRD_001104 1 3  HIS HIS N Y 
PRD_001104 1 4  THR THR N Y 
PRD_001104 1 5  TYR TYR N Y 
PRD_001104 1 6  HIS HIS N Y 
PRD_001104 1 7  VAL VAL N Y 
PRD_001104 1 8  FAK LYS N Y 
PRD_001104 1 9  ARG ARG N Y 
PRD_001104 1 10 ARG ARG N Y 
PRD_001104 1 11 THR THR N Y 
PRD_001104 1 12 ASN ASN N Y 
PRD_001104 1 13 TYR TYR N Y 
PRD_001104 1 14 TYR TYR N Y 
PRD_001104 1 15 CYS CYS N Y 
PRD_001104 1 16 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001104 2013-06-13 PDBJ "Create molecule" 
PRD_001104 2014-02-19 RCSB "Initial release" 
# 
data_PRD_001105
# 
_pdbx_reference_molecule.prd_id                       PRD_001105 
_pdbx_reference_molecule.name                         "TMC-95A mimic ligand 2c" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C42 H47 N5 O8" 
_pdbx_reference_molecule.formula_weight               749.851 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3NZX 
# 
_pdbx_reference_entity_list.prd_id          PRD_001105 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 5" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001105 1 1 C BOC 1 N TY5 2 sing 1 ? ? ? 
PRD_001105 1 2 C TY5 2 N ALA 3 sing 1 ? ? ? 
PRD_001105 1 3 C ALA 3 N RE3 4 sing 1 ? ? ? 
PRD_001105 1 4 C RE3 4 N ABN 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001105 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001105 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001105 1 1 BOC ? N Y 
PRD_001105 1 2 TY5 ? N Y 
PRD_001105 1 3 ALA ? N Y 
PRD_001105 1 4 RE3 ? N Y 
PRD_001105 1 5 ABN ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001105 2012-09-12 RCSB "Create molecule"    
PRD_001105 2012-12-12 RCSB "Initial release"    
PRD_001105 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001107
# 
_pdbx_reference_molecule.prd_id                       PRD_001107 
_pdbx_reference_molecule.name                         "Polyphemusin analog, CXC chemokine receptor antagonist" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antagonist 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C95 H147 N32 O21 S2" 
_pdbx_reference_molecule.formula_weight               2137.515 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3OE0 
# 
_pdbx_reference_entity_list.prd_id          PRD_001107 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 16" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001107 1 1  C  ARG 1  N  ARG 2  sing 1 ? ? ? 
PRD_001107 1 2  C  ARG 2  N  ALN 3  sing 1 ? ? ? 
PRD_001107 1 3  C  ALN 3  N  CYS 4  sing 1 ? ? ? 
PRD_001107 1 4  C  CYS 4  N  TYR 5  sing 1 ? ? ? 
PRD_001107 1 5  SG CYS 4  SG CYS 13 sing 1 ? ? ? 
PRD_001107 1 6  C  TYR 5  N  GLN 6  sing 1 ? ? ? 
PRD_001107 1 7  C  GLN 6  N  LYS 7  sing 1 ? ? ? 
PRD_001107 1 8  C  LYS 7  N  DPR 8  sing 1 ? ? ? 
PRD_001107 1 9  C  DPR 8  N  PRO 9  sing 1 ? ? ? 
PRD_001107 1 10 C  PRO 9  N  TYR 10 sing 1 ? ? ? 
PRD_001107 1 11 C  TYR 10 N  ARG 11 sing 1 ? ? ? 
PRD_001107 1 12 C  ARG 11 N  CIR 12 sing 1 ? ? ? 
PRD_001107 1 13 C  CIR 12 N  CYS 13 sing 1 ? ? ? 
PRD_001107 1 14 C  CYS 13 N  ARG 14 sing 1 ? ? ? 
PRD_001107 1 15 C  ARG 14 N  GLY 15 sing 1 ? ? ? 
PRD_001107 1 16 C  GLY 15 N  DPR 16 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001107 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001107 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001107 1 1  ARG ? N Y 
PRD_001107 1 2  ARG ? N Y 
PRD_001107 1 3  ALN ? N Y 
PRD_001107 1 4  CYS ? N Y 
PRD_001107 1 5  TYR ? N Y 
PRD_001107 1 6  GLN ? N Y 
PRD_001107 1 7  LYS ? N Y 
PRD_001107 1 8  DPR ? N Y 
PRD_001107 1 9  PRO ? N Y 
PRD_001107 1 10 TYR ? N Y 
PRD_001107 1 11 ARG ? N Y 
PRD_001107 1 12 CIR ? N Y 
PRD_001107 1 13 CYS ? N Y 
PRD_001107 1 14 ARG ? N Y 
PRD_001107 1 15 GLY ? N Y 
PRD_001107 1 16 DPR ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001107 2012-09-12 RCSB "Create molecule"    
PRD_001107 2012-12-12 RCSB "Initial release"    
PRD_001107 2013-06-03 RCSB "Other modification" 
PRD_001107 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001108
# 
_pdbx_reference_molecule.prd_id                       PRD_001108 
_pdbx_reference_molecule.name                         "Cyclosporin A variant, MLE 8 to MNL" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Immunosuppressant 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C63 H113 N11 O12" 
_pdbx_reference_molecule.formula_weight               1216.638 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE. HERE, CYCLOSPORIN A IS REPRESENTED BY THE SEQUENCE (SEQRES)" 
_pdbx_reference_molecule.description                  "CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE. CYCLIZATION IS ACHIEVED BY LINKING THE N- AND THE C- TERMINI. THE CYCLOSPORIN MOLECULE WAS MODIFIED AT POSITION 8 TO BE 4,N-DIMETHYLNORLEUCINE." 
_pdbx_reference_molecule.representative_PDB_id_code   1CWC 
# 
_pdbx_reference_entity_list.prd_id          PRD_001108 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 11" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001108 1 1  N DAL 1  C ALA 11 sing 1 ? ? ? 
PRD_001108 1 2  C DAL 1  N MLE 2  sing 1 ? ? ? 
PRD_001108 1 3  C MLE 2  N MLE 3  sing 1 ? ? ? 
PRD_001108 1 4  C MLE 3  N MVA 4  sing 1 ? ? ? 
PRD_001108 1 5  C MVA 4  N BMT 5  sing 1 ? ? ? 
PRD_001108 1 6  C BMT 5  N ABA 6  sing 1 ? ? ? 
PRD_001108 1 7  C ABA 6  N SAR 7  sing 1 ? ? ? 
PRD_001108 1 8  C SAR 7  N MNL 8  sing 1 ? ? ? 
PRD_001108 1 9  C MNL 8  N VAL 9  sing 1 ? ? ? 
PRD_001108 1 10 C VAL 9  N MLE 10 sing 1 ? ? ? 
PRD_001108 1 11 C MLE 10 N ALA 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001108 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00033 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001108 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001108 1 1  DAL ?   N Y 
PRD_001108 1 2  MLE LEU N Y 
PRD_001108 1 3  MLE LEU N Y 
PRD_001108 1 4  MVA VAL N Y 
PRD_001108 1 5  BMT THR N Y 
PRD_001108 1 6  ABA ALA N Y 
PRD_001108 1 7  SAR GLY N Y 
PRD_001108 1 8  MNL LEU N Y 
PRD_001108 1 9  VAL VAL N Y 
PRD_001108 1 10 MLE LEU N Y 
PRD_001108 1 11 ALA ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001108 2013-06-19 RCSB "Create molecule"    
PRD_001108 2013-06-19 RCSB "Other modification" 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001108 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 29910 
_pdbx_reference_entity_src_nat.organism_scientific   "Tolypocladium inflatum" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
data_PRD_001109
# 
_pdbx_reference_molecule.prd_id                       PRD_001109 
_pdbx_reference_molecule.name                         "peptide ligand" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H51 Cl N6 O10" 
_pdbx_reference_molecule.formula_weight               751.267 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "THE SHORT PEPTIDE BINDS ONTO PROCESSIVITY FACTOR BETA CLAMP, INHIBITING BETA-DEPENDENT ELONGATION ACTIVITY" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3Q4K 
# 
_pdbx_reference_entity_list.prd_id          PRD_001109 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 6" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001109 1 1 C ACE 1 N GLN 2 sing 1 ? ? ? 
PRD_001109 1 2 C GLN 2 N ALC 3 sing 1 ? ? ? 
PRD_001109 1 3 C ALC 3 N ASP 4 sing 1 ? ? ? 
PRD_001109 1 4 C ASP 4 N LEU 5 sing 1 ? ? ? 
PRD_001109 1 5 C LEU 5 N 200 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001109 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001109 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001109 1 1 ACE ? N Y 
PRD_001109 1 2 GLN ? N Y 
PRD_001109 1 3 ALC ? N Y 
PRD_001109 1 4 ASP ? N Y 
PRD_001109 1 5 LEU ? N Y 
PRD_001109 1 6 200 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001109 2012-09-12 RCSB "Create molecule"    
PRD_001109 2012-12-12 RCSB "Initial release"    
PRD_001109 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001110
# 
_pdbx_reference_molecule.prd_id                       PRD_001110 
_pdbx_reference_molecule.name                         "N-[(2R)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-AMINO-4-METHYL-1-OXOPENTAN-2-YL]AMINO}-3-CHLORO-1-OXOPROPAN-2-YL]AMINO}-3-HYDROXY-5-OXO-1-PHENYLPENTAN-2-YL]AMINO}-3-METHYL-1-OXOBUTAN-2-YL]PYRIDINE-2-CARBOXAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H43 Cl N6 O6" 
_pdbx_reference_molecule.formula_weight               631.163 
_pdbx_reference_molecule.chem_comp_id                 RSY 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3R0W 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001110 
_pdbx_reference_entity_subcomponents.seq            "6PC DVA PSA C22 LEU NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   RSY 
# 
_pdbx_reference_entity_list.prd_id          PRD_001110 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001110 1 1 N NH2 6 C  LEU 5 sing 1 ? ? ? 
PRD_001110 1 2 C C22 4 N  LEU 5 sing 1 ? ? ? 
PRD_001110 1 3 N C22 4 C  PSA 3 sing 1 ? ? ? 
PRD_001110 1 4 N PSA 3 C  DVA 2 sing 1 ? ? ? 
PRD_001110 1 5 N DVA 2 C2 6PC 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001110 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001110 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001110 1 1 6PC ?   N Y 
PRD_001110 1 2 DVA ?   N Y 
PRD_001110 1 3 PSA PHE N Y 
PRD_001110 1 4 C22 ALA N Y 
PRD_001110 1 5 LEU LEU N Y 
PRD_001110 1 6 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001110 2012-09-12 RCSB "Create molecule" 
PRD_001110 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001111
# 
_pdbx_reference_molecule.prd_id                       PRD_001111 
_pdbx_reference_molecule.name                         "peptide ligand" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H50 Cl2 N6 O10" 
_pdbx_reference_molecule.formula_weight               785.712 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "THE SHORT PEPTIDE BINDS ONTO PROCESSIVITY FACTOR BETA CLAMP, INHIBITING BETA-DEPENDENT ELONGATION ACTIVITY" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3Q4L 
# 
_pdbx_reference_entity_list.prd_id          PRD_001111 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 6" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001111 1 1 C ACE 1 N GLN 2 sing 1 ? ? ? 
PRD_001111 1 2 C GLN 2 N ALC 3 sing 1 ? ? ? 
PRD_001111 1 3 C ALC 3 N ASP 4 sing 1 ? ? ? 
PRD_001111 1 4 C ASP 4 N LEU 5 sing 1 ? ? ? 
PRD_001111 1 5 C LEU 5 N ZCL 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001111 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001111 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001111 1 1 ACE ? N Y 
PRD_001111 1 2 GLN ? N Y 
PRD_001111 1 3 ALC ? N Y 
PRD_001111 1 4 ASP ? N Y 
PRD_001111 1 5 LEU ? N Y 
PRD_001111 1 6 ZCL ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001111 2012-09-12 RCSB "Create molecule"    
PRD_001111 2012-12-12 RCSB "Initial release"    
PRD_001111 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001112
# 
_pdbx_reference_molecule.prd_id                       PRD_001112 
_pdbx_reference_molecule.name                         "D-PHENYLALANYL-N-(PYRIDIN-3-YLMETHYL)-L-PROLINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H24 N4 O2" 
_pdbx_reference_molecule.formula_weight               352.430 
_pdbx_reference_molecule.chem_comp_id                 99P 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3P17 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001112 
_pdbx_reference_entity_subcomponents.seq            "DPN PRO 0YC" 
_pdbx_reference_entity_subcomponents.chem_comp_id   99P 
# 
_pdbx_reference_entity_list.prd_id          PRD_001112 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001112 1 1 C PRO 2 N16 0YC 3 sing 1 ? ? ? 
PRD_001112 1 2 N PRO 2 C   DPN 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001112 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001112 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001112 1 1 DPN ? N Y 
PRD_001112 1 2 PRO ? N Y 
PRD_001112 1 3 0YC ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001112 2012-09-12 RCSB "Create molecule" 
PRD_001112 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001113
# 
_pdbx_reference_molecule.prd_id                       PRD_001113 
_pdbx_reference_molecule.name                         "N-[(2S)-1-{[(2S,3S)-3-HYDROXY-5-OXO-5-{[(2R)-1-OXO-3-PHENYL-1-(PROP-2-YN-1-YLAMINO)PROPAN-2-YL]AMINO}-1-PHENYLPENTAN-2-YL]AMINO}-3-METHYL-1-OXOBUTAN-2-YL]PYRIDINE-2-CARBOXAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C34 H39 N5 O5" 
_pdbx_reference_molecule.formula_weight               597.704 
_pdbx_reference_molecule.chem_comp_id                 RSZ 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3R0Y 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001113 
_pdbx_reference_entity_subcomponents.seq            "6PC VAL PSA DPN RRA" 
_pdbx_reference_entity_subcomponents.chem_comp_id   RSZ 
# 
_pdbx_reference_entity_list.prd_id          PRD_001113 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001113 1 1 N   VAL 2 C2 6PC 1 sing 1 ? ? ? 
PRD_001113 1 2 N   PSA 3 C  VAL 2 sing 1 ? ? ? 
PRD_001113 1 3 N03 RRA 5 C  DPN 4 sing 1 ? ? ? 
PRD_001113 1 4 N   DPN 4 C  PSA 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001113 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001113 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001113 1 1 6PC ?   N Y 
PRD_001113 1 2 VAL VAL N Y 
PRD_001113 1 3 PSA PHE N Y 
PRD_001113 1 4 DPN ?   N Y 
PRD_001113 1 5 RRA ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001113 2012-09-12 RCSB "Create molecule" 
PRD_001113 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001114
# 
_pdbx_reference_molecule.prd_id                       PRD_001114 
_pdbx_reference_molecule.name                         "N-[(2S)-1-HYDROXY-3-PHENYLPROPAN-2-YL]-NALPHA-[(2E)-3-PHENYLPROP-2-ENOYL]-L-PHENYLALANINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H28 N2 O3" 
_pdbx_reference_molecule.formula_weight               428.523 
_pdbx_reference_molecule.chem_comp_id                 S89 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3SN8 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001114 
_pdbx_reference_entity_subcomponents.seq            "TCA PHE PHL" 
_pdbx_reference_entity_subcomponents.chem_comp_id   S89 
# 
_pdbx_reference_entity_list.prd_id          PRD_001114 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001114 1 1 C PHE 2 N  PHL 3 sing 1 ? ? ? 
PRD_001114 1 2 N PHE 2 C1 TCA 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001114 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001114 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001114 1 1 TCA ?   N Y 
PRD_001114 1 2 PHE PHE N Y 
PRD_001114 1 3 PHL PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001114 2012-09-12 RCSB "Create molecule" 
PRD_001114 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001115
# 
_pdbx_reference_molecule.prd_id                       PRD_001115 
_pdbx_reference_molecule.name                         "N-[(2S)-1-({2-[5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL]ETHYL}AMINO)-1-OXO-3-PHENYLPROPAN-2-YL]-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZINE-7-CARBOXAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H24 Cl N7 O3 S" 
_pdbx_reference_molecule.formula_weight               562.043 
_pdbx_reference_molecule.chem_comp_id                 O61 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3SOS 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001115 
_pdbx_reference_entity_subcomponents.seq            "BXW PHE BXR" 
_pdbx_reference_entity_subcomponents.chem_comp_id   O61 
# 
_pdbx_reference_entity_list.prd_id          PRD_001115 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001115 1 1 N15 BXR 3 C   PHE 2 sing 1 ? ? ? 
PRD_001115 1 2 N   PHE 2 C20 BXW 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001115 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001115 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001115 1 1 BXW ?   N Y 
PRD_001115 1 2 PHE PHE N Y 
PRD_001115 1 3 BXR ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001115 2012-09-12 RCSB "Create molecule" 
PRD_001115 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001116
# 
_pdbx_reference_molecule.prd_id                       PRD_001116 
_pdbx_reference_molecule.name                         "N-BENZYL-2-[(MORPHOLIN-4-YLACETYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H27 N3 O3 S" 
_pdbx_reference_molecule.formula_weight               413.533 
_pdbx_reference_molecule.chem_comp_id                 4SH 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3T7X 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001116 
_pdbx_reference_entity_subcomponents.seq            "00E QAB ABN" 
_pdbx_reference_entity_subcomponents.chem_comp_id   4SH 
# 
_pdbx_reference_entity_list.prd_id          PRD_001116 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001116 1 1 C2 QAB 2 N ABN 3 sing 1 ? ? ? 
PRD_001116 1 2 N3 QAB 2 C 00E 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001116 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001116 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001116 1 1 00E ? N Y 
PRD_001116 1 2 QAB ? N Y 
PRD_001116 1 3 ABN ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001116 2012-09-12 RCSB "Create molecule" 
PRD_001116 2012-12-12 RCSB "Initial release" 
# 
data_PRD_001117
# 
_pdbx_reference_molecule.prd_id                       PRD_001117 
_pdbx_reference_molecule.name                         "Peptide aldehyde inhibitor Ac-NSFSQ-H" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H39 N7 O10" 
_pdbx_reference_molecule.formula_weight               609.629 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3SNA 
# 
_pdbx_reference_entity_list.prd_id          PRD_001117 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001117 1 1 C ACE 1 N ASN 2 sing 1 ? ? ? 
PRD_001117 1 2 C ASN 2 N SER 3 sing 1 ? ? ? 
PRD_001117 1 3 C SER 3 N PHE 4 sing 1 ? ? ? 
PRD_001117 1 4 C PHE 4 N SER 5 sing 1 ? ? ? 
PRD_001117 1 5 C SER 5 N ECC 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001117 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001117 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001117 1 1 ACE ?   N Y 
PRD_001117 1 2 ASN ASN N Y 
PRD_001117 1 3 SER SER N Y 
PRD_001117 1 4 PHE PHE N Y 
PRD_001117 1 5 SER SER N Y 
PRD_001117 1 6 ECC GLN N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001117 2012-09-12 RCSB "Create molecule"    
PRD_001117 2012-12-12 RCSB "Initial release"    
PRD_001117 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001118
# 
_pdbx_reference_molecule.prd_id                       PRD_001118 
_pdbx_reference_molecule.name                         "Peptide aldehyde inhibitor Ac-DSFDQ-H" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H38 N6 O12" 
_pdbx_reference_molecule.formula_weight               638.624 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3SNB 
# 
_pdbx_reference_entity_list.prd_id          PRD_001118 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001118 1 1 C ACE 1 N ASP 2 sing 1 ? ? ? 
PRD_001118 1 2 C ASP 2 N SER 3 sing 1 ? ? ? 
PRD_001118 1 3 C SER 3 N PHE 4 sing 1 ? ? ? 
PRD_001118 1 4 C PHE 4 N ASP 5 sing 1 ? ? ? 
PRD_001118 1 5 C ASP 5 N ECC 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001118 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001118 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001118 1 1 ACE ?   N Y 
PRD_001118 1 2 ASP ASP N Y 
PRD_001118 1 3 SER SER N Y 
PRD_001118 1 4 PHE PHE N Y 
PRD_001118 1 5 ASP ASP N Y 
PRD_001118 1 6 ECC GLN N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001118 2012-09-12 RCSB "Create molecule"    
PRD_001118 2012-12-12 RCSB "Initial release"    
PRD_001118 2013-06-03 RCSB "Other modification" 
# 
data_PRD_001122
# 
_pdbx_reference_molecule.prd_id                       PRD_001122 
_pdbx_reference_molecule.name                         "Cyclosporin D variant, MSA 7 to MAA" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Immunosuppressant 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C64 H115 N11 O12" 
_pdbx_reference_molecule.formula_weight               1230.664 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE. HERE, CYCLOSPORIN D IS REPRESENTED BY THE SEQUENCE (SEQRES)" 
_pdbx_reference_molecule.description                  "CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE. CYCLIZATION IS ACHIEVED BY LINKING THE N- AND THE C- TERMINI. CYCLOSPORIN D IS A NATURAL ANALOG OF CYCLOSPORIN A, OBTAINED FROM A DIFFERENT NUTRIENT BROTH AND DIFFERS FROM CYCLOSPORIN IN RESIDUE 6 (ABA6VAL). THE CYCLOSPORIN MOLECULE WAS MODIFIED AT POSITION 7 TO BE N-METHYL-L-ALANINE." 
_pdbx_reference_molecule.representative_PDB_id_code   1CWI 
# 
_pdbx_reference_entity_list.prd_id          PRD_001122 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 11" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001122 1 1  N DAL 1  C ALA 11 sing 1 ? ? ? 
PRD_001122 1 2  C DAL 1  N MLE 2  sing 1 ? ? ? 
PRD_001122 1 3  C MLE 2  N MLE 3  sing 1 ? ? ? 
PRD_001122 1 4  C MLE 3  N MVA 4  sing 1 ? ? ? 
PRD_001122 1 5  C MVA 4  N BMT 5  sing 1 ? ? ? 
PRD_001122 1 6  C BMT 5  N VAL 6  sing 1 ? ? ? 
PRD_001122 1 7  C VAL 6  N MAA 7  sing 1 ? ? ? 
PRD_001122 1 8  C MAA 7  N MLE 8  sing 1 ? ? ? 
PRD_001122 1 9  C MLE 8  N VAL 9  sing 1 ? ? ? 
PRD_001122 1 10 C VAL 9  N MLE 10 sing 1 ? ? ? 
PRD_001122 1 11 C MLE 10 N ALA 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001122 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00036 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001122 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001122 1 1  DAL ?   N Y 
PRD_001122 1 2  MLE LEU N Y 
PRD_001122 1 3  MLE LEU N Y 
PRD_001122 1 4  MVA VAL N Y 
PRD_001122 1 5  BMT THR N Y 
PRD_001122 1 6  VAL VAL N Y 
PRD_001122 1 7  MAA ALA N Y 
PRD_001122 1 8  MLE LEU N Y 
PRD_001122 1 9  VAL VAL N Y 
PRD_001122 1 10 MLE LEU N Y 
PRD_001122 1 11 ALA ALA N Y 
# 
_pdbx_prd_audit.prd_id            PRD_001122 
_pdbx_prd_audit.date              2013-06-20 
_pdbx_prd_audit.processing_site   RCSB 
_pdbx_prd_audit.action_type       "Create molecule" 
# 
data_PRD_001123
# 
_pdbx_reference_molecule.prd_id                       PRD_001123 
_pdbx_reference_molecule.name                         "Cyclosporin C variant (DAL 1 to VAD, MLE 3 to LEU, VAL 9 to LEU)" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Immunosuppressant 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C64 H114 N10 O14" 
_pdbx_reference_molecule.formula_weight               1247.649 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE. HERE, CYCLOSPORIN C IS REPRESENTED BY THE SEQUENCE (SEQRES)" 
_pdbx_reference_molecule.description                  "CYCLOSPORIN C IS A CYCLIC UNDECAPEPTIDE. CYCLIZATION IS ACHIEVED BY LINKING THE N- AND THE C- TERMINI. CYCLOSPORIN C IS A NATURAL ANALOG OF CYCLOSPORIN A, OBTAINED FROM A DIFFERENT NUTRIENT BROTH AND DIFFERS FROM CYCLOSPORIN A IN RESIDUE 6 (ABA6THR). THIS IS A CYCLOSPORIN C VARIANT THAT DIFFERS AT 1, 3, AND 9 POSITIONS." 
_pdbx_reference_molecule.representative_PDB_id_code   1CWO 
# 
_pdbx_reference_entity_list.prd_id          PRD_001123 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 11" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001123 1 1  C  VAD 1  N MLE 2  sing 1 ? ? ? 
PRD_001123 1 2  OE VAD 1  C ALA 11 sing 1 ? ? ? 
PRD_001123 1 3  C  MLE 2  N LEU 3  sing 1 ? ? ? 
PRD_001123 1 4  C  LEU 3  N MVA 4  sing 1 ? ? ? 
PRD_001123 1 5  C  MVA 4  N BMT 5  sing 1 ? ? ? 
PRD_001123 1 6  C  BMT 5  N THR 6  sing 1 ? ? ? 
PRD_001123 1 7  C  THR 6  N SAR 7  sing 1 ? ? ? 
PRD_001123 1 8  C  SAR 7  N MLE 8  sing 1 ? ? ? 
PRD_001123 1 9  C  MLE 8  N LEU 9  sing 1 ? ? ? 
PRD_001123 1 10 C  LEU 9  N MLE 10 sing 1 ? ? ? 
PRD_001123 1 11 C  MLE 10 N ALA 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001123 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00035 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001123 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001123 1 1  VAD VAL N Y 
PRD_001123 1 2  MLE LEU N Y 
PRD_001123 1 3  LEU LEU N Y 
PRD_001123 1 4  MVA VAL N Y 
PRD_001123 1 5  BMT THR N Y 
PRD_001123 1 6  THR THR N Y 
PRD_001123 1 7  SAR GLY N Y 
PRD_001123 1 8  MLE LEU N Y 
PRD_001123 1 9  LEU LEU N Y 
PRD_001123 1 10 MLE LEU N Y 
PRD_001123 1 11 ALA ALA N Y 
# 
_pdbx_prd_audit.prd_id            PRD_001123 
_pdbx_prd_audit.date              2013-06-20 
_pdbx_prd_audit.processing_site   RCSB 
_pdbx_prd_audit.action_type       "Create molecule" 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001123 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 61182 
_pdbx_reference_entity_src_nat.organism_scientific   "Acremonium luzulae" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
data_PRD_001124
# 
_pdbx_reference_molecule.prd_id                       PRD_001124 
_pdbx_reference_molecule.name                         "Cyclomarin A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antiinflammatory 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C56 H84 N8 O11" 
_pdbx_reference_molecule.formula_weight               1045.313 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3WDC 
# 
_pdbx_reference_entity_list.prd_id          PRD_001124 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001124 1 1 C WRP 1 N WLU 2 sing 1 ? ? ? 
PRD_001124 1 2 N WRP 1 C WVL 7 sing 1 ? ? ? 
PRD_001124 1 3 C WLU 2 N ALA 3 sing 1 ? ? ? 
PRD_001124 1 4 C ALA 3 N WPA 4 sing 1 ? ? ? 
PRD_001124 1 5 C WPA 4 N VAL 5 sing 1 ? ? ? 
PRD_001124 1 6 C VAL 5 N MLE 6 sing 1 ? ? ? 
PRD_001124 1 7 C MLE 6 N WVL 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001124 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001124 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001124 1 1 WRP TRP N Y 
PRD_001124 1 2 WLU LEU N Y 
PRD_001124 1 3 ALA ALA N Y 
PRD_001124 1 4 WPA PHE N Y 
PRD_001124 1 5 VAL VAL N Y 
PRD_001124 1 6 MLE LEU N Y 
PRD_001124 1 7 WVL VAL N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001124 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1931 
_pdbx_reference_entity_src_nat.organism_scientific   Streptomyces 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001124 2013-06-20 PDBJ "Create molecule" 
PRD_001124 2013-09-18 RCSB "Initial release" 
# 
data_PRD_001125
# 
_pdbx_reference_molecule.prd_id                       PRD_001125 
_pdbx_reference_molecule.name                         "N-[(2S)-2-({(2S)-2-[(N-acetyl-D-alpha-aspartyl)amino]-7-methoxy-7-oxoheptanoyl}amino)butanoyl]-L-norleucyl-L-leucyl-L-prolyl-L-tryptophyl-L-proline" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C51 H75 N9 O14" 
_pdbx_reference_molecule.formula_weight               1038.193 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4KTY 
# 
_pdbx_reference_entity_list.prd_id          PRD_001125 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001125 1 1 C ACY 1 N DAS 2 sing 1 ? ? ? 
PRD_001125 1 2 C DAS 2 N 1TX 3 sing 1 ? ? ? 
PRD_001125 1 3 C 1TX 3 N ABA 4 sing 1 ? ? ? 
PRD_001125 1 4 C ABA 4 N NLE 5 sing 1 ? ? ? 
PRD_001125 1 5 C NLE 5 N LEU 6 sing 1 ? ? ? 
PRD_001125 1 6 C LEU 6 N PRO 7 sing 1 ? ? ? 
PRD_001125 1 7 C PRO 7 N TRP 8 sing 1 ? ? ? 
PRD_001125 1 8 C TRP 8 N PRO 9 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001125 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001125 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001125 1 1 ACY ?   N Y 
PRD_001125 1 2 DAS ?   N Y 
PRD_001125 1 3 1TX ?   N Y 
PRD_001125 1 4 ABA ALA N Y 
PRD_001125 1 5 NLE LEU N Y 
PRD_001125 1 6 LEU LEU N Y 
PRD_001125 1 7 PRO PRO N Y 
PRD_001125 1 8 TRP TRP N Y 
PRD_001125 1 9 PRO PRO N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001125 2013-06-25 RCSB "Create molecule"    
PRD_001125 2013-12-04 RCSB "Initial release"    
PRD_001125 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001126
# 
_pdbx_reference_molecule.prd_id                       PRD_001126 
_pdbx_reference_molecule.name                         "Selenomethionine derivative of Microcin C7" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H51 N12 O11 Se" 
_pdbx_reference_molecule.formula_weight               810.738 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3H9Q 
# 
_pdbx_reference_entity_list.prd_id          PRD_001126 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001126 1 1 C MSE 1 N ARG 2 sing 1 ? ? ? 
PRD_001126 1 2 C ARG 2 N THR 3 sing 1 ? ? ? 
PRD_001126 1 3 C THR 3 N GLY 4 sing 1 ? ? ? 
PRD_001126 1 4 C GLY 4 N ASN 5 sing 1 ? ? ? 
PRD_001126 1 5 C ASN 5 N ALA 6 sing 1 ? ? ? 
PRD_001126 1 6 C ALA 6 N ASN 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001126 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         Q47505 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001126 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001126 1 1 MSE MET N Y 
PRD_001126 1 2 ARG ARG N Y 
PRD_001126 1 3 THR THR N Y 
PRD_001126 1 4 GLY GLY N Y 
PRD_001126 1 5 ASN ASN N Y 
PRD_001126 1 6 ALA ALA N Y 
PRD_001126 1 7 ASN ASN N Y 
# 
_pdbx_prd_audit.prd_id            PRD_001126 
_pdbx_prd_audit.date              2013-06-26 
_pdbx_prd_audit.processing_site   RCSB 
_pdbx_prd_audit.action_type       "Create molecule" 
# 
data_PRD_001127
# 
_pdbx_reference_molecule.prd_id                       PRD_001127 
_pdbx_reference_molecule.name                         "GRAMICIDIN A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C103 H140 N20 O17" 
_pdbx_reference_molecule.formula_weight               1930.337 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "GRAMICIDIN IS A HETEROGENEOUS MIXTURE OF SEVERAL COMPOUNDS INCLUDING GRAMICIDIN A, B AND C WHICH ARE OBTAINED FROM BACILLUS BREVIS AND CALLED COLLECTIVELY GRAMICIDIN D HERE, GRAMICIDIN A IS REPRESENTED BY THE SEQUENCE (SEQRES)" 
_pdbx_reference_molecule.description                  "GRAMICIDIN A IS A HEXADECAMERIC HELICAL PEPTIDE WITH ALTERNATING D,L CHARACTERISTICS. THE N-TERM IS FORMYLATED (RESIDUE 0). THE C-TERM IS CAPPED WITH ETHANOLAMINE (RESIDUE 16)." 
_pdbx_reference_molecule.representative_PDB_id_code   1NT5 
# 
_pdbx_reference_entity_list.prd_id          PRD_001127 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 16" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001127 1 1  C QPH 1  N GLY 2  sing 1 ? ? ? 
PRD_001127 1 2  C GLY 2  N ALA 3  sing 1 ? ? ? 
PRD_001127 1 3  C ALA 3  N DLE 4  sing 1 ? ? ? 
PRD_001127 1 4  C DLE 4  N ALA 5  sing 1 ? ? ? 
PRD_001127 1 5  C ALA 5  N DVA 6  sing 1 ? ? ? 
PRD_001127 1 6  C DVA 6  N VAL 7  sing 1 ? ? ? 
PRD_001127 1 7  C VAL 7  N DVA 8  sing 1 ? ? ? 
PRD_001127 1 8  C DVA 8  N TRP 9  sing 1 ? ? ? 
PRD_001127 1 9  C TRP 9  N DLE 10 sing 1 ? ? ? 
PRD_001127 1 10 C DLE 10 N TRP 11 sing 1 ? ? ? 
PRD_001127 1 11 C TRP 11 N DLE 12 sing 1 ? ? ? 
PRD_001127 1 12 C DLE 12 N TRP 13 sing 1 ? ? ? 
PRD_001127 1 13 C TRP 13 N DLE 14 sing 1 ? ? ? 
PRD_001127 1 14 C DLE 14 N TRP 15 sing 1 ? ? ? 
PRD_001127 1 15 C TRP 15 N ETA 16 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001127 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00243 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001127 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001127 1 1  QPH PHE N Y 
PRD_001127 1 2  GLY GLY N Y 
PRD_001127 1 3  ALA ALA N Y 
PRD_001127 1 4  DLE LEU N Y 
PRD_001127 1 5  ALA ALA N Y 
PRD_001127 1 6  DVA VAL N Y 
PRD_001127 1 7  VAL VAL N Y 
PRD_001127 1 8  DVA VAL N Y 
PRD_001127 1 9  TRP TRP N Y 
PRD_001127 1 10 DLE LEU N Y 
PRD_001127 1 11 TRP TRP N Y 
PRD_001127 1 12 DLE LEU N Y 
PRD_001127 1 13 TRP TRP N Y 
PRD_001127 1 14 DLE LEU N Y 
PRD_001127 1 15 TRP TRP N Y 
PRD_001127 1 16 ETA ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001127 2013-06-30 RCSB "Create molecule" 
PRD_001127 2013-07-10 RCSB "Initial release" 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001127 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1393 
_pdbx_reference_entity_src_nat.organism_scientific   "Bacillus brevis" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00246 
_pdbx_reference_entity_src_nat.db_name               " 	Norine" 
_pdbx_reference_entity_src_nat.strain                ? 
# 
data_PRD_001128
# 
_pdbx_reference_molecule.prd_id                       PRD_001128 
_pdbx_reference_molecule.name                         "mutant GRAMICIDIN C" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C101 H139 N19 O18" 
_pdbx_reference_molecule.formula_weight               1907.301 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "GRAMICIDIN IS A HETEROGENEOUS MIXTURE OF SEVERAL COMPOUNDS INCLUDING GRAMICIDIN A, B AND C WHICH ARE OBTAINED FROM BACILLUS BREVIS AND CALLED COLLECTIVELY GRAMICIDIN D HERE, GRAMICIDIN C IS REPRESENTED BY THE SEQUENCE (SEQRES)" 
_pdbx_reference_molecule.description                  "GRAMICIDIN A IS A HEXADECAMERIC HELICAL PEPTIDE WITH ALTERNATING D,L CHARACTERISTICS. THE N-TERM IS FORMYLATED (RESIDUE 0). THE C-TERM IS CAPPED WITH ETHANOLAMINE (RESIDUE 16)." 
_pdbx_reference_molecule.representative_PDB_id_code   1NT6 
# 
_pdbx_reference_entity_list.prd_id          PRD_001128 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001128 1 1  C QPH 1  N GLY 2  sing 1 ? ? ? 
PRD_001128 1 2  C GLY 2  N ALA 3  sing 1 ? ? ? 
PRD_001128 1 3  C ALA 3  N DLE 4  sing 1 ? ? ? 
PRD_001128 1 4  C DLE 4  N ALA 5  sing 1 ? ? ? 
PRD_001128 1 5  C ALA 5  N DVA 6  sing 1 ? ? ? 
PRD_001128 1 6  C DVA 6  N VAL 7  sing 1 ? ? ? 
PRD_001128 1 7  C VAL 7  N DVA 8  sing 1 ? ? ? 
PRD_001128 1 8  C DVA 8  N TRP 9  sing 1 ? ? ? 
PRD_001128 1 9  C TRP 9  N DLE 10 sing 1 ? ? ? 
PRD_001128 1 10 C DLE 10 N TYR 11 sing 1 ? ? ? 
PRD_001128 1 11 C TYR 11 N DLE 12 sing 1 ? ? ? 
PRD_001128 1 12 C DLE 12 N TRP 13 sing 1 ? ? ? 
PRD_001128 1 13 C TRP 13 N DLE 14 sing 1 ? ? ? 
PRD_001128 1 14 C DLE 14 N TRP 15 sing 1 ? ? ? 
PRD_001128 1 15 C TRP 15 N ETA 16 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001128 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00245 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001128 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001128 1 1  QPH PHE N Y 
PRD_001128 1 2  GLY GLY N Y 
PRD_001128 1 3  ALA ALA N Y 
PRD_001128 1 4  DLE ?   N Y 
PRD_001128 1 5  ALA ALA N Y 
PRD_001128 1 6  DVA ?   N Y 
PRD_001128 1 7  VAL VAL N Y 
PRD_001128 1 8  DVA ?   N Y 
PRD_001128 1 9  TRP TRP N Y 
PRD_001128 1 10 DLE ?   N Y 
PRD_001128 1 11 TYR TYR N Y 
PRD_001128 1 12 DLE ?   N Y 
PRD_001128 1 13 TRP TRP N Y 
PRD_001128 1 14 DLE ?   N Y 
PRD_001128 1 15 TRP TRP N Y 
PRD_001128 1 16 ETA ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001128 2013-07-01 RCSB "Create molecule"    
PRD_001128 2013-07-01 RCSB "Other modification" 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001128 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1393 
_pdbx_reference_entity_src_nat.organism_scientific   "Bacillus brevis" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
data_PRD_001129
# 
_pdbx_reference_molecule.prd_id                       PRD_001129 
_pdbx_reference_molecule.name                         "Microcin C7 iso-ASN analog" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H51 N12 O11 S" 
_pdbx_reference_molecule.formula_weight               763.843 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3H9G 
# 
_pdbx_reference_entity_list.prd_id          PRD_001129 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001129 1 1 C MET 1 N ARG 2 sing 1 ? ? ? 
PRD_001129 1 2 C ARG 2 N THR 3 sing 1 ? ? ? 
PRD_001129 1 3 C THR 3 N GLY 4 sing 1 ? ? ? 
PRD_001129 1 4 C GLY 4 N ASN 5 sing 1 ? ? ? 
PRD_001129 1 5 C ASN 5 N ALA 6 sing 1 ? ? ? 
PRD_001129 1 6 C ALA 6 N XSN 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001129 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         Q47505 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001129 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001129 1 1 MET MET N Y 
PRD_001129 1 2 ARG ARG N Y 
PRD_001129 1 3 THR THR N Y 
PRD_001129 1 4 GLY GLY N Y 
PRD_001129 1 5 ASN ASN N Y 
PRD_001129 1 6 ALA ALA N Y 
PRD_001129 1 7 XSN ASN N Y 
# 
_pdbx_prd_audit.prd_id            PRD_001129 
_pdbx_prd_audit.date              2013-07-01 
_pdbx_prd_audit.processing_site   RCSB 
_pdbx_prd_audit.action_type       "Create molecule" 
# 
data_PRD_001130
# 
_pdbx_reference_molecule.prd_id                       PRD_001130 
_pdbx_reference_molecule.name                         "SmBz, cyclosporin A derivative" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C70 H118 N11 O14" 
_pdbx_reference_molecule.formula_weight               1337.751 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4IPZ 
# 
_pdbx_reference_entity_list.prd_id          PRD_001130 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "THIS CYCLOSPORIN IS A DERIVATIVE IS A CYCLIC UNDECAPEPTIDE. CYCLIZATION IS ACHIEVED BY LINKING THE N- AND THE C- TERMINI." 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001130 1 1  N DAL 1  C ALA 11 sing 1 ? ? ? 
PRD_001130 1 2  C DAL 1  N MLE 2  sing 1 ? ? ? 
PRD_001130 1 3  C MLE 2  N MLE 3  sing 1 ? ? ? 
PRD_001130 1 4  C MLE 3  N MVA 4  sing 1 ? ? ? 
PRD_001130 1 5  C MVA 4  N BMT 5  sing 1 ? ? ? 
PRD_001130 1 6  C BMT 5  N ABA 6  sing 1 ? ? ? 
PRD_001130 1 7  C ABA 6  N 1JM 7  sing 1 ? ? ? 
PRD_001130 1 8  C 1JM 7  N MLE 8  sing 1 ? ? ? 
PRD_001130 1 9  C MLE 8  N VAL 9  sing 1 ? ? ? 
PRD_001130 1 10 C VAL 9  N MLE 10 sing 1 ? ? ? 
PRD_001130 1 11 C MLE 10 N ALA 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001130 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00033 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001130 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001130 1 1  DAL ALA N Y 
PRD_001130 1 2  MLE LEU N Y 
PRD_001130 1 3  MLE LEU N Y 
PRD_001130 1 4  MVA VAL N Y 
PRD_001130 1 5  BMT THR N Y 
PRD_001130 1 6  ABA ALA N Y 
PRD_001130 1 7  1JM PHE N Y 
PRD_001130 1 8  MLE LEU N Y 
PRD_001130 1 9  VAL VAL N Y 
PRD_001130 1 10 MLE LEU N Y 
PRD_001130 1 11 ALA ALA N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001130 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 29910 
_pdbx_reference_entity_src_nat.organism_scientific   "Tolypocladium inflatum" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001130 2013-02-15 RCSB "Create molecule" 
PRD_001130 2013-02-18 RCSB "Modify class"    
PRD_001130 2013-11-06 RCSB "Initial release" 
# 
data_PRD_001131
# 
_pdbx_reference_molecule.prd_id                       PRD_001131 
_pdbx_reference_molecule.name                         "Mutant GRAMICIDIN A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C90 H133 N19 O17" 
_pdbx_reference_molecule.formula_weight               1753.136 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;GRAMICIDIN IS A HETEROGENEOUS MIXTURE OF SEVERAL COMPOUNDS INCLUDING GRAMICIDIN A, B AND C WHICH ARE OBTAINED FROM
BACILLUS BREVIS AND COLLECTIVELY CALLED GRAMICIDIN D. HERE, GRAMICIDIN A IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;GRAMICIDIN A IS A HEXADECAMERIC HELICAL PEPTIDE WITH ALTERNATING D,L CHARACTERISTICS.
THE N-TERM IS FORMYLATED (RESIDUE 0).  THE C-TERM IS CAPPED WITH ETHANOLAMINE (RESIDUE 16).
;
_pdbx_reference_molecule.representative_PDB_id_code   1NG8 
# 
_pdbx_reference_entity_list.prd_id          PRD_001131 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001131 1 1  C FVA 1  N GLY 2  sing 1 ? ? ? 
PRD_001131 1 2  C GLY 2  N ALA 3  sing 1 ? ? ? 
PRD_001131 1 3  C ALA 3  N DLE 4  sing 1 ? ? ? 
PRD_001131 1 4  C DLE 4  N ALA 5  sing 1 ? ? ? 
PRD_001131 1 5  C ALA 5  N DVA 6  sing 1 ? ? ? 
PRD_001131 1 6  C DVA 6  N VAL 7  sing 1 ? ? ? 
PRD_001131 1 7  C VAL 7  N DVA 8  sing 1 ? ? ? 
PRD_001131 1 8  C DVA 8  N TRP 9  sing 1 ? ? ? 
PRD_001131 1 9  C TRP 9  N DLE 10 sing 1 ? ? ? 
PRD_001131 1 10 C DLE 10 N TRP 11 sing 1 ? ? ? 
PRD_001131 1 11 C TRP 11 N DLE 12 sing 1 ? ? ? 
PRD_001131 1 12 C DLE 12 N TRP 13 sing 1 ? ? ? 
PRD_001131 1 13 C TRP 13 N DLE 14 sing 1 ? ? ? 
PRD_001131 1 14 C DLE 14 N GLY 15 sing 1 ? ? ? 
PRD_001131 1 15 C GLY 15 N ETA 16 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001131 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00243 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001131 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001131 1 1  FVA VAL N Y 
PRD_001131 1 2  GLY GLY N Y 
PRD_001131 1 3  ALA ALA N Y 
PRD_001131 1 4  DLE ?   N Y 
PRD_001131 1 5  ALA ALA N Y 
PRD_001131 1 6  DVA ?   N Y 
PRD_001131 1 7  VAL VAL N Y 
PRD_001131 1 8  DVA ?   N Y 
PRD_001131 1 9  TRP TRP N Y 
PRD_001131 1 10 DLE ?   N Y 
PRD_001131 1 11 TRP TRP N Y 
PRD_001131 1 12 DLE ?   N Y 
PRD_001131 1 13 TRP TRP N Y 
PRD_001131 1 14 DLE ?   N Y 
PRD_001131 1 15 GLY GLY N Y 
PRD_001131 1 16 ETA ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001131 2013-07-02 RCSB "Create molecule"    
PRD_001131 2017-05-04 RCSB "Other modification" 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001131 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1393 
_pdbx_reference_entity_src_nat.organism_scientific   "Bacillus brevis" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
data_PRD_001132
# 
_pdbx_reference_molecule.prd_id                       PRD_001132 
_pdbx_reference_molecule.name                         "Mutant CYCLOSPORIN D" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Immunosuppressant 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C63 H113 N11 O12" 
_pdbx_reference_molecule.formula_weight               1216.638 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE.
HERE, CYCLOSPORIN D  IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_reference_molecule.description                  
;CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE.
CYCLIZATION IS ACHIEVED BY LINKING THE N- AND
THE C- TERMINI. CYCLOSPORIN D IS A NATURAL ANALOG OF CYCLOSPORIN A
OBTAINED FROM A DIFFERENT NUTRIENT BROTH AND
DIFFERS FROM CYCLOSPORIN IN RESIDUE 6 (ABA6VAL)
;
_pdbx_reference_molecule.representative_PDB_id_code   1CWF 
# 
_pdbx_reference_entity_list.prd_id          PRD_001132 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001132 1 1  N DAL 1  C ALA 11 sing 1 ? ? ? 
PRD_001132 1 2  C DAL 1  N MLE 2  sing 1 ? ? ? 
PRD_001132 1 3  C MLE 2  N MLE 3  sing 1 ? ? ? 
PRD_001132 1 4  C MLE 3  N MVA 4  sing 1 ? ? ? 
PRD_001132 1 5  C MVA 4  N BMT 5  sing 1 ? ? ? 
PRD_001132 1 6  C BMT 5  N VAL 6  sing 1 ? ? ? 
PRD_001132 1 7  C VAL 6  N SAR 7  sing 1 ? ? ? 
PRD_001132 1 8  C SAR 7  N MLE 8  sing 1 ? ? ? 
PRD_001132 1 9  C MLE 8  N VAL 9  sing 1 ? ? ? 
PRD_001132 1 10 C VAL 9  N MLE 10 sing 1 ? ? ? 
PRD_001132 1 11 C MLE 10 N ALA 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001132 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00036 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001132 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001132 1 1  DAL ?   N Y 
PRD_001132 1 2  MLE LEU N Y 
PRD_001132 1 3  MLE LEU N Y 
PRD_001132 1 4  MVA VAL N Y 
PRD_001132 1 5  BMT THR N Y 
PRD_001132 1 6  VAL VAL N Y 
PRD_001132 1 7  SAR GLY N Y 
PRD_001132 1 8  MLE LEU N Y 
PRD_001132 1 9  VAL VAL N Y 
PRD_001132 1 10 MLE LEU N Y 
PRD_001132 1 11 ALA ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001132 2013-07-02 RCSB "Create molecule"    
PRD_001132 2013-07-02 RCSB "Other modification" 
PRD_001132 2017-05-04 RCSB "Other modification" 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001132 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 29910 
_pdbx_reference_entity_src_nat.organism_scientific   "TOLYPOCLADIUM INFLATUM" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
data_PRD_001133
# 
_pdbx_reference_molecule.prd_id                       PRD_001133 
_pdbx_reference_molecule.name                         "(2R,6S,13AR,14AR,16AS)-6-{[(CYCLOPENTYLOXY)CARBONYL]AMINO}-14A-[(CYCLOPROPYLSULFONYL)CARBAMOYL]-5,16-DIOXOOCTADECAHYDROCYCLOPROPA[E]PYRROLO[1,2-A][1,4]DIAZACYCLOPENTADECIN-2-YL 3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C37 H51 N5 O9 S" 
_pdbx_reference_molecule.formula_weight               741.894 
_pdbx_reference_molecule.chem_comp_id                 1X3 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4KTC 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001133 
_pdbx_reference_entity_subcomponents.seq            "12W 1X0 0Y9 0YA HYP 1X1" 
_pdbx_reference_entity_subcomponents.chem_comp_id   1X3 
# 
_pdbx_reference_entity_list.prd_id          PRD_001133 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001133 1 1 N28 0YA 4 C6  0Y9 3 sing 1 ? ? ? 
PRD_001133 1 2 C29 0Y9 3 C28 1X0 2 sing 1 ? ? ? 
PRD_001133 1 3 N4  0Y9 3 C   HYP 5 sing 1 ? ? ? 
PRD_001133 1 4 N   HYP 5 C17 1X0 2 sing 1 ? ? ? 
PRD_001133 1 5 C30 1X1 6 OD1 HYP 5 sing 1 ? ? ? 
PRD_001133 1 6 N20 1X0 2 C25 12W 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001133 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001133 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001133 1 1 12W ?   N Y 
PRD_001133 1 2 1X0 ?   N Y 
PRD_001133 1 3 0Y9 ?   N Y 
PRD_001133 1 4 0YA ?   N Y 
PRD_001133 1 5 HYP PRO N Y 
PRD_001133 1 6 1X1 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001133 2013-07-22 RCSB "Create molecule"    
PRD_001133 2013-08-07 RCSB "Initial release"    
PRD_001133 2020-07-20 RCSB "Other modification" 
# 
data_PRD_001135
# 
_pdbx_reference_molecule.prd_id                       PRD_001135 
_pdbx_reference_molecule.name                         "(CBZ)NPQ(B27) peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H38 N6 O8 S" 
_pdbx_reference_molecule.formula_weight               594.680 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4LFD 
# 
_pdbx_reference_entity_list.prd_id          PRD_001135 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001135 1 1 C1 PHQ 1 N ASN 2 sing 1 ? ? ? 
PRD_001135 1 2 C  ASN 2 N PRO 3 sing 1 ? ? ? 
PRD_001135 1 3 C  PRO 3 N GLN 4 sing 1 ? ? ? 
PRD_001135 1 4 C  GLN 4 N B27 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001135 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001135 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001135 1 1 PHQ ?   N Y 
PRD_001135 1 2 ASN ASN N Y 
PRD_001135 1 3 PRO PRO N Y 
PRD_001135 1 4 GLN GLN N Y 
PRD_001135 1 5 B27 THR N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001135 2013-07-22 RCSB "Create molecule" 
PRD_001135 2014-02-12 RCSB "Initial release" 
# 
data_PRD_001136
# 
_pdbx_reference_molecule.prd_id                       PRD_001136 
_pdbx_reference_molecule.name                         "Chromomycin A3, Monomer" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C57 H82 O26" 
_pdbx_reference_molecule.formula_weight               1183.245 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "Chromomycin A3 is an anthraquinone. It is a glycosidic antibiotic produced at the fermentation of a strain of Streptomyces griseus. It is also called toyomycin." 
_pdbx_reference_molecule.representative_PDB_id_code   4LAI 
# 
_pdbx_reference_entity_list.prd_id          PRD_001136 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "POLYSACCAHRIDE SEQUENCE 1 TO 6" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001136 1 1 C1 1GL 1 O3 2GL 2 sing 1 ? ? ? 
PRD_001136 1 2 C1 2GL 2 O6 CPH 3 sing 1 ? ? ? 
PRD_001136 1 3 O2 CPH 3 C1 DDA 4 sing 1 ? ? ? 
PRD_001136 1 4 O3 DDA 4 C1 DDA 5 sing 1 ? ? ? 
PRD_001136 1 5 O3 DDA 5 C1 ERI 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001136 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            polysaccharide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001136 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001136 1 1 1GL ? N Y 
PRD_001136 1 2 2GL ? N Y 
PRD_001136 1 3 CPH ? N Y 
PRD_001136 1 4 DDA ? N Y 
PRD_001136 1 5 DDA ? N Y 
PRD_001136 1 6 ERI ? N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001136 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1911 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces griseus" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001136 2013-07-26 RCSB "Create molecule"    
PRD_001136 2020-04-04 RCSB "Other modification" 
# 
data_PRD_001137
# 
_pdbx_reference_molecule.prd_id                       PRD_001137 
_pdbx_reference_molecule.name                         "(4S,6aR,7aS)-5-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydro-1H-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antagonist 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H43 N5 O4" 
_pdbx_reference_molecule.formula_weight               537.694 
_pdbx_reference_molecule.chem_comp_id                 1Y0 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4LGE 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001137 
_pdbx_reference_entity_subcomponents.seq            "MAA CHG 1XW 1XY" 
_pdbx_reference_entity_subcomponents.chem_comp_id   1Y0 
# 
_pdbx_reference_entity_list.prd_id          PRD_001137 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001137 1 1 C32 1XW 3 N34 1XY 4 sing 1 ? ? ? 
PRD_001137 1 2 N19 1XW 3 C   CHG 2 sing 1 ? ? ? 
PRD_001137 1 3 N   CHG 2 C   MAA 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001137 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001137 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001137 1 1 MAA ALA N Y 
PRD_001137 1 2 CHG ?   N Y 
PRD_001137 1 3 1XW ?   N Y 
PRD_001137 1 4 1XY ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001137 2013-07-30 RCSB "Create molecule"    
PRD_001137 2013-08-22 RCSB "Other modification" 
PRD_001137 2013-08-28 RCSB "Initial release"    
PRD_001137 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001138
# 
_pdbx_reference_molecule.prd_id                       PRD_001138 
_pdbx_reference_molecule.name                         "(3S,7R,8AR)-2-{(2S)-2-(4,4-DIFLUOROCYCLOHEXYL)-2-[(N-METHYL-L-ALANYL)AMINO]ACETYL}-N-[(4R)-3,4-DIHYDRO-2H-CHROMEN-4-YL]-7-ETHOXYOCTAHYDROPYRROLO[1,2-A]PYRAZINE-3-CARBOXAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antagonist 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H45 F2 N5 O5" 
_pdbx_reference_molecule.formula_weight               605.716 
_pdbx_reference_molecule.chem_comp_id                 1AQ 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4HY0 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001138 
_pdbx_reference_entity_subcomponents.seq            "MAA 1Y2 1Y3 1XY" 
_pdbx_reference_entity_subcomponents.chem_comp_id   1AQ 
# 
_pdbx_reference_entity_list.prd_id          PRD_001138 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001138 1 1 C   MAA 1 N34 1Y2 2 sing 1 ? ? ? 
PRD_001138 1 2 C30 1Y2 2 N10 1Y3 3 sing 1 ? ? ? 
PRD_001138 1 3 C16 1Y3 3 N34 1XY 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001138 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001138 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001138 1 1 MAA ALA N Y 
PRD_001138 1 2 1Y2 ?   N Y 
PRD_001138 1 3 1Y3 ?   N Y 
PRD_001138 1 4 1XY ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001138 2013-07-31 RCSB "Create molecule"    
PRD_001138 2013-08-07 RCSB "Initial release"    
PRD_001138 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001139
# 
_pdbx_reference_molecule.prd_id                       PRD_001139 
_pdbx_reference_molecule.name                         "(3S,8AR)-2-{(2S)-2-CYCLOHEXYL-2-[(N-METHYL-L-ALANYL)AMINO]ACETYL}-N-[(1R)-1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL]OCTAHYDROPYRROLO[1,2-A]PYRAZINE-3-CARBOXAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antagonist 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H45 N5 O3" 
_pdbx_reference_molecule.formula_weight               523.710 
_pdbx_reference_molecule.chem_comp_id                 1BG 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4HY4 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001139 
_pdbx_reference_entity_subcomponents.seq            "MAA CHG 1Y4 1Y5" 
_pdbx_reference_entity_subcomponents.chem_comp_id   1BG 
# 
_pdbx_reference_entity_list.prd_id          PRD_001139 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001139 1 1 C30 1Y4 3 N32 1Y5 4 sing 1 ? ? ? 
PRD_001139 1 2 N19 1Y4 3 C   CHG 2 sing 1 ? ? ? 
PRD_001139 1 3 N   CHG 2 C   MAA 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001139 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001139 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001139 1 1 MAA ALA N Y 
PRD_001139 1 2 CHG ?   N Y 
PRD_001139 1 3 1Y4 ?   N Y 
PRD_001139 1 4 1Y5 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001139 2013-07-31 RCSB "Create molecule"    
PRD_001139 2013-08-07 RCSB "Initial release"    
PRD_001139 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001140
# 
_pdbx_reference_molecule.prd_id                       PRD_001140 
_pdbx_reference_molecule.name                         "N-(4-FLUOROBENZOYL)-L-GAMMA-GLUTAMYL-5-{[(S)-{[(1S)-1,3-DICARBOXYPROPYL]AMINO}(HYDROXY)PHOSPHORYL]OXY}-L-NORVALINE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H29 F N3 O13 P" 
_pdbx_reference_molecule.formula_weight               593.450 
_pdbx_reference_molecule.chem_comp_id                 CTW 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4LQG 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001140 
_pdbx_reference_entity_subcomponents.seq            "1Y6 GGL 6GL GLU" 
_pdbx_reference_entity_subcomponents.chem_comp_id   CTW 
# 
_pdbx_reference_entity_list.prd_id          PRD_001140 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001140 1 1 N GLU 4 PBN 6GL 3 sing 1 ? ? ? 
PRD_001140 1 2 N 6GL 3 CD  GGL 2 sing 1 ? ? ? 
PRD_001140 1 3 N GGL 2 CBH 1Y6 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001140 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001140 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001140 1 1 1Y6 ?   N Y 
PRD_001140 1 2 GGL GLU N Y 
PRD_001140 1 3 6GL ALA N Y 
PRD_001140 1 4 GLU GLU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001140 2013-07-31 RCSB "Create molecule"    
PRD_001140 2014-12-31 RCSB "Initial release"    
PRD_001140 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001141
# 
_pdbx_reference_molecule.prd_id                       PRD_001141 
_pdbx_reference_molecule.name                         "(3S,8aR)-N-((R)-chroman-4-yl)-2-((S)-2-cyclohexyl-2-((S)-2-(methylamino)propanamido)acetyl)octahydropyrrolo[1,2-a]pyrazine-3-carboxamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antagonist 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H43 N5 O4" 
_pdbx_reference_molecule.formula_weight               525.683 
_pdbx_reference_molecule.chem_comp_id                 1YH 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4LGU 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001141 
_pdbx_reference_entity_subcomponents.seq            "MAA CHG 1Y4 1XY" 
_pdbx_reference_entity_subcomponents.chem_comp_id   1YH 
# 
_pdbx_reference_entity_list.prd_id          PRD_001141 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001141 1 1 C   MAA 1 N   CHG 2 sing 1 ? ? ? 
PRD_001141 1 2 N19 1Y4 3 C   CHG 2 sing 1 ? ? ? 
PRD_001141 1 3 C30 1Y4 3 N34 1XY 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001141 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001141 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001141 1 1 MAA ALA N Y 
PRD_001141 1 2 CHG ?   N Y 
PRD_001141 1 3 1Y4 ?   N Y 
PRD_001141 1 4 1XY ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001141 2013-08-05 RCSB "Create molecule"    
PRD_001141 2013-08-22 RCSB "Other modification" 
PRD_001141 2013-08-28 RCSB "Initial release"    
PRD_001141 2017-05-04 RCSB "Other modification" 
PRD_001141 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001142
# 
_pdbx_reference_molecule.prd_id                       PRD_001142 
_pdbx_reference_molecule.name                         "tyrocidine A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C66 H87 N13 O13" 
_pdbx_reference_molecule.formula_weight               1270.476 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4M6E 
# 
_pdbx_reference_entity_list.prd_id          PRD_001142 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001142 1 1  N DPN 1 C LEU 10 sing 1 ? ? ? 
PRD_001142 1 2  C DPN 1 N PRO 2  sing 1 ? ? ? 
PRD_001142 1 3  C PRO 2 N PHE 3  sing 1 ? ? ? 
PRD_001142 1 4  C PHE 3 N DPN 4  sing 1 ? ? ? 
PRD_001142 1 5  C DPN 4 N ASN 5  sing 1 ? ? ? 
PRD_001142 1 6  C ASN 5 N GLN 6  sing 1 ? ? ? 
PRD_001142 1 7  C GLN 6 N TYR 7  sing 1 ? ? ? 
PRD_001142 1 8  C TYR 7 N VAL 8  sing 1 ? ? ? 
PRD_001142 1 9  C VAL 8 N ORN 9  sing 1 ? ? ? 
PRD_001142 1 10 C ORN 9 N LEU 10 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001142 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00298 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001142 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001142 1 1  DPN ?   N Y 
PRD_001142 1 2  PRO PRO N Y 
PRD_001142 1 3  PHE PHE N Y 
PRD_001142 1 4  DPN ?   N Y 
PRD_001142 1 5  ASN ASN N Y 
PRD_001142 1 6  GLN GLN N Y 
PRD_001142 1 7  TYR TYR N Y 
PRD_001142 1 8  VAL VAL N Y 
PRD_001142 1 9  ORN ALA N Y 
PRD_001142 1 10 LEU LEU N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001142 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1393 
_pdbx_reference_entity_src_nat.organism_scientific   "Bacillus brevis" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00298 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001142 2013-08-19 RCSB "Create molecule" 
PRD_001142 2014-03-19 RCSB "Initial release" 
# 
data_PRD_001145
# 
_pdbx_reference_molecule.prd_id                       PRD_001145 
_pdbx_reference_molecule.name                         "BIVALIRUDIN N-terminus fragment" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C78 H110 N18 O30" 
_pdbx_reference_molecule.formula_weight               1779.811 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3VXE 
# 
_pdbx_reference_entity_list.prd_id          PRD_001145 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "reversible direct thrombin inhibitor" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001145 1 1  C PRO 1  N GLY 2  sing 1 ? ? ? 
PRD_001145 1 2  C GLY 2  N GLY 3  sing 1 ? ? ? 
PRD_001145 1 3  C GLY 3  N GLY 4  sing 1 ? ? ? 
PRD_001145 1 4  C GLY 4  N GLY 5  sing 1 ? ? ? 
PRD_001145 1 5  C GLY 5  N ASN 6  sing 1 ? ? ? 
PRD_001145 1 6  C ASN 6  N GLY 7  sing 1 ? ? ? 
PRD_001145 1 7  C GLY 7  N ASP 8  sing 1 ? ? ? 
PRD_001145 1 8  C ASP 8  N PHE 9  sing 1 ? ? ? 
PRD_001145 1 9  C PHE 9  N GLU 10 sing 1 ? ? ? 
PRD_001145 1 10 C GLU 10 N GLU 11 sing 1 ? ? ? 
PRD_001145 1 11 C GLU 11 N ILE 12 sing 1 ? ? ? 
PRD_001145 1 12 C ILE 12 N PRO 13 sing 1 ? ? ? 
PRD_001145 1 13 C PRO 13 N GLU 14 sing 1 ? ? ? 
PRD_001145 1 14 C GLU 14 N GLU 15 sing 1 ? ? ? 
PRD_001145 1 15 C GLU 15 N TYR 16 sing 1 ? ? ? 
PRD_001145 1 16 C TYR 16 N LEU 17 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001145 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001145 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001145 1 1  PRO PRO N N 
PRD_001145 1 2  GLY GLY N N 
PRD_001145 1 3  GLY GLY N N 
PRD_001145 1 4  GLY GLY N N 
PRD_001145 1 5  GLY GLY N N 
PRD_001145 1 6  ASN ASN N N 
PRD_001145 1 7  GLY GLY N N 
PRD_001145 1 8  ASP ASP N Y 
PRD_001145 1 9  PHE PHE N Y 
PRD_001145 1 10 GLU GLU N Y 
PRD_001145 1 11 GLU GLU N Y 
PRD_001145 1 12 ILE ILE N Y 
PRD_001145 1 13 PRO PRO N Y 
PRD_001145 1 14 GLU GLU N Y 
PRD_001145 1 15 GLU GLU N Y 
PRD_001145 1 16 TYR TYR N Y 
PRD_001145 1 17 LEU LEU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001145 2013-08-19 PDBJ "Create molecule" 
PRD_001145 2013-09-04 RCSB "Initial release" 
# 
data_PRD_001148
# 
_pdbx_reference_molecule.prd_id                       PRD_001148 
_pdbx_reference_molecule.name                         "BIVALIRUDIN C-terminus fragment" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H31 N6 O4" 
_pdbx_reference_molecule.formula_weight               419.498 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3VXE 
# 
_pdbx_reference_entity_list.prd_id          PRD_001148 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001148 1 1 C DPN 1 N PRO 2 sing 1 ? ? ? 
PRD_001148 1 2 C PRO 2 N ARG 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001148 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001148 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001148 1 1 DPN ?   N Y 
PRD_001148 1 2 PRO PRO N Y 
PRD_001148 1 3 ARG ARG N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001148 2013-08-19 PDBJ "Create molecule" 
PRD_001148 2013-09-04 RCSB "Initial release" 
# 
data_PRD_001156
# 
_pdbx_reference_molecule.prd_id                       PRD_001156 
_pdbx_reference_molecule.name                         PL-55 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C41 H67 N9 O12 P S" 
_pdbx_reference_molecule.formula_weight               941.063 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4LKL 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_001156 1 1 polymer     ?   
PRD_001156 2 2 non-polymer ADM 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_001156 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            ADAMANTANE 
_pdbx_reference_entity_nonpoly.chem_comp_id    ADM 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_link.prd_id              PRD_001156 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    1 
_pdbx_reference_entity_link.comp_id_1           ACE 
_pdbx_reference_entity_link.atom_id_1           CH3 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    ? 
_pdbx_reference_entity_link.comp_id_2           ADM 
_pdbx_reference_entity_link.atom_id_2           C1 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             ? 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001156 1 1 C ACE 1 N PRO 2 sing 1 ? ? ? 
PRD_001156 1 2 C PRO 2 N LEU 3 sing 1 ? ? ? 
PRD_001156 1 3 C LEU 3 N HIS 4 sing 1 ? ? ? 
PRD_001156 1 4 C HIS 4 N SER 5 sing 1 ? ? ? 
PRD_001156 1 5 C SER 5 N TPO 6 sing 1 ? ? ? 
PRD_001156 1 6 C TPO 6 N MET 7 sing 1 ? ? ? 
PRD_001156 1 7 C MET 7 N NH2 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001156 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001156 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001156 1 1 ACE ?   N Y 
PRD_001156 1 2 PRO PRO N Y 
PRD_001156 1 3 LEU LEU N Y 
PRD_001156 1 4 HIS HIS N Y 
PRD_001156 1 5 SER SER N Y 
PRD_001156 1 6 TPO THR N Y 
PRD_001156 1 7 MET MET N Y 
PRD_001156 1 8 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001156 2013-08-22 PDBJ "Create molecule" 
PRD_001156 2013-12-11 RCSB "Initial release" 
# 
data_PRD_001157
# 
_pdbx_reference_molecule.prd_id                       PRD_001157 
_pdbx_reference_molecule.name                         Ser-Leu-Phe-His-Phenylalanyl-reduced-peptide-bond-Tyrosyl-Thr-Pro 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C51 H69 N10 O11" 
_pdbx_reference_molecule.formula_weight               998.154 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4LP9 
# 
_pdbx_reference_entity_list.prd_id          PRD_001157 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001157 1 1 C SER 1 N LEU 2 sing 1 ? ? ? 
PRD_001157 1 2 C LEU 2 N PHE 3 sing 1 ? ? ? 
PRD_001157 1 3 C PHE 3 N HIS 4 sing 1 ? ? ? 
PRD_001157 1 4 C HIS 4 N 22G 5 sing 1 ? ? ? 
PRD_001157 1 5 C 22G 5 N THR 6 sing 1 ? ? ? 
PRD_001157 1 6 C THR 6 N PRO 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001157 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001157 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001157 1 1 SER SER N Y 
PRD_001157 1 2 LEU LEU N Y 
PRD_001157 1 3 PHE PHE N Y 
PRD_001157 1 4 HIS HIS N Y 
PRD_001157 1 5 22G ?   N Y 
PRD_001157 1 6 THR THR N Y 
PRD_001157 1 7 PRO PRO N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001157 2013-08-23 RCSB "Create molecule"    
PRD_001157 2014-01-15 RCSB "Initial release"    
PRD_001157 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001158
# 
_pdbx_reference_molecule.prd_id                       PRD_001158 
_pdbx_reference_molecule.name                         "Teicoplanin pseudoaglycone" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Glycopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C78 H79 Cl2 N9 O32" 
_pdbx_reference_molecule.formula_weight               1725.409 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4MFL 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_001158 1 1 polymer     ?   
PRD_001158 2 2 non-polymer NAG 
PRD_001158 3 3 non-polymer GCS 
PRD_001158 4 4 non-polymer MAN 
# 
loop_
_pdbx_reference_entity_nonpoly.prd_id 
_pdbx_reference_entity_nonpoly.ref_entity_id 
_pdbx_reference_entity_nonpoly.name 
_pdbx_reference_entity_nonpoly.chem_comp_id 
_pdbx_reference_entity_nonpoly.details 
PRD_001158 2 N-ACETYL-D-GLUCOSAMINE NAG ? 
PRD_001158 3 D-GLUCOSAMINE          GCS ? 
PRD_001158 4 ALPHA-D-MANNOSE        MAN ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_001158 1 PN 1 4 GHP O4  3 ? GCS C1 sing 1 3 ? ? ? 
PRD_001158 2 PN 1 6 OMY ODE 2 ? NAG C1 sing 1 2 ? ? ? 
PRD_001158 3 PN 1 7 3FG OD1 4 ? MAN C1 sing 1 4 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001158 1 1  C   GHP 1 N   3MY 2 sing 1 ? ? ? 
PRD_001158 1 2  C3  GHP 1 OD2 3FG 3 sing 1 ? ? ? 
PRD_001158 1 3  OBD 3MY 2 C3  GHP 4 sing 1 ? ? ? 
PRD_001158 1 4  C   3MY 2 N   3FG 3 sing 1 ? ? ? 
PRD_001158 1 5  C   3FG 3 N   GHP 4 sing 1 ? ? ? 
PRD_001158 1 6  C   GHP 4 N   GHP 5 sing 1 ? ? ? 
PRD_001158 1 7  C5  GHP 4 OCZ OMY 6 sing 1 ? ? ? 
PRD_001158 1 8  C   GHP 5 N   OMY 6 sing 1 ? ? ? 
PRD_001158 1 9  C5  GHP 5 CG1 3FG 7 sing 1 ? ? ? 
PRD_001158 1 10 C   OMY 6 N   3FG 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001158 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001158 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001158 1 1 GHP ?   N Y 
PRD_001158 1 2 3MY TYR N Y 
PRD_001158 1 3 3FG ?   N Y 
PRD_001158 1 4 GHP ?   N Y 
PRD_001158 1 5 GHP ?   N Y 
PRD_001158 1 6 OMY TYR N Y 
PRD_001158 1 7 3FG ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001158 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1867 
_pdbx_reference_entity_src_nat.organism_scientific   "Actinoplanes teichomyceticus" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001158 2013-09-03 PDBJ "Create molecule" 
PRD_001158 2014-09-03 RCSB "Initial release" 
# 
data_PRD_001159
# 
_pdbx_reference_molecule.prd_id                       PRD_001159 
_pdbx_reference_molecule.name                         PL-74 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C46 H74 N10 O13 P S" 
_pdbx_reference_molecule.formula_weight               1038.178 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4LKM 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_001159 1 1 polymer     ?   
PRD_001159 2 2 non-polymer 5PV 
PRD_001159 3 3 non-polymer LYT 
# 
loop_
_pdbx_reference_entity_nonpoly.prd_id 
_pdbx_reference_entity_nonpoly.ref_entity_id 
_pdbx_reference_entity_nonpoly.name 
_pdbx_reference_entity_nonpoly.chem_comp_id 
_pdbx_reference_entity_nonpoly.details 
PRD_001159 2 "5-PHENYLVALERIC ACID" 5PV ? 
PRD_001159 3 BUTYLAMINE             LYT ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_001159 1 PN 1 1 ACE CH3 3 ? LYT C4 sing 1 3 ? ? ? 
PRD_001159 2 NN 2 ? 5PV C11 3 ? LYT N  sing 2 3 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001159 1 1 C ACE 1 N PRO 2 sing 1 ? ? ? 
PRD_001159 1 2 C PRO 2 N LEU 3 sing 1 ? ? ? 
PRD_001159 1 3 C LEU 3 N HIS 4 sing 1 ? ? ? 
PRD_001159 1 4 C HIS 4 N SER 5 sing 1 ? ? ? 
PRD_001159 1 5 C SER 5 N TPO 6 sing 1 ? ? ? 
PRD_001159 1 6 C TPO 6 N MET 7 sing 1 ? ? ? 
PRD_001159 1 7 C MET 7 N NH2 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001159 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001159 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001159 1 1 ACE ?   N Y 
PRD_001159 1 2 PRO PRO N Y 
PRD_001159 1 3 LEU LEU N Y 
PRD_001159 1 4 HIS HIS N Y 
PRD_001159 1 5 SER SER N Y 
PRD_001159 1 6 TPO THR N Y 
PRD_001159 1 7 MET MET N Y 
PRD_001159 1 8 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001159 2013-09-03 PDBJ "Create molecule" 
PRD_001159 2013-12-11 RCSB "Initial release" 
# 
data_PRD_001160
# 
_pdbx_reference_molecule.prd_id                       PRD_001160 
_pdbx_reference_molecule.name                         "D-PHENYLALANYL-N-[(3S)-6-CARBAMIMIDAMIDO-1-CHLORO-2-OXOHEXAN-3-YL]-L-PHENYLALANINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H33 Cl N6 O3" 
_pdbx_reference_molecule.formula_weight               501.021 
_pdbx_reference_molecule.chem_comp_id                 H37 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1CVR 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001160 
_pdbx_reference_entity_subcomponents.seq            "DPN PHE ARG 0QE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   H37 
# 
_pdbx_reference_entity_list.prd_id          PRD_001160 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001160 1 1 C  PHE 2 N ARG 3 sing 1 ? ? ? 
PRD_001160 1 2 N  PHE 2 C DPN 1 sing 1 ? ? ? 
PRD_001160 1 3 C1 0QE 4 C ARG 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001160 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001160 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001160 1 1 DPN ?   N Y 
PRD_001160 1 2 PHE PHE N Y 
PRD_001160 1 3 ARG ARG N Y 
PRD_001160 1 4 0QE ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001160 2013-09-05 RCSB "Create molecule"    
PRD_001160 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001161
# 
_pdbx_reference_molecule.prd_id                       PRD_001161 
_pdbx_reference_molecule.name                         "N-HEXANOYL-L-VALYL-N~1~-[(4S,5S,6R)-5-HYDROXY-2,6-DIMETHYLOCTAN-4-YL]-N~5~,N~5~-DIMETHYL-L-GLUTAMAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H54 N4 O5" 
_pdbx_reference_molecule.formula_weight               526.752 
_pdbx_reference_molecule.chem_comp_id                 EC6 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "Originated from (S)-N1-((S,Z)-2,6-dimethyl-5-oxooct-6-en-4-yl)-2-((S)-2-hexanamido-3-methylbutanamido)-N5,N5-dimethylpentanediamide that reacts with N-terminal Thr of the protein, opening double bonds of the original compound and making two covalent linkages with the amino group and side chain hydroxyl of the Thr. The PRD represents the bound form." 
_pdbx_reference_molecule.representative_PDB_id_code   4LTC 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001161 
_pdbx_reference_entity_subcomponents.seq            "6NA VAL QMM 27W" 
_pdbx_reference_entity_subcomponents.chem_comp_id   EC6 
# 
_pdbx_reference_entity_list.prd_id          PRD_001161 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001161 1 1 N3 27W 4 C QMM 3 sing 1 ? ? ? 
PRD_001161 1 2 N  QMM 3 C VAL 2 sing 1 ? ? ? 
PRD_001161 1 3 N  VAL 2 C 6NA 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001161 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001161 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001161 1 1 6NA ?   N Y 
PRD_001161 1 2 VAL VAL N Y 
PRD_001161 1 3 QMM GLN N Y 
PRD_001161 1 4 27W ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001161 2013-09-06 RCSB "Create molecule"    
PRD_001161 2014-07-02 RCSB "Initial release"    
PRD_001161 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001162
# 
_pdbx_reference_molecule.prd_id                       PRD_001162 
_pdbx_reference_molecule.name                         "Salinamide A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic depsipeptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antiinflammatory 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C51 H69 N7 O15" 
_pdbx_reference_molecule.formula_weight               1020.131 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "bicyclic depsipeptide salinamide A is a potent anti-inflammatory agent found in the marine bacterium Streptomyces sp. CNB-091. The suggested biosynthesis pathway indicates the peptide core of 1 is probably derived from the hexapeptide Thr-D-Ile-Hpg-MePhe-D-aThr-Ser (Tetrahedron Letters 39 (1998) 3915-3918)." 
_pdbx_reference_molecule.representative_PDB_id_code   4MEX 
# 
_pdbx_reference_entity_list.prd_id          PRD_001162 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 9" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001162 1 1  CBX 28H 1 N   THR 2 sing 1 ? ? ? 
PRD_001162 1 2  C   THR 2 N   28J 3 sing 1 ? ? ? 
PRD_001162 1 3  OG1 THR 2 C   SER 7 sing 1 ? ? ? 
PRD_001162 1 4  C   28J 3 N   D4P 4 sing 1 ? ? ? 
PRD_001162 1 5  C   D4P 4 N   MEA 5 sing 1 ? ? ? 
PRD_001162 1 6  O4  D4P 4 CAH 28K 9 sing 1 ? ? ? 
PRD_001162 1 7  C   MEA 5 N   2TL 6 sing 1 ? ? ? 
PRD_001162 1 8  C   2TL 6 N   SER 7 sing 1 ? ? ? 
PRD_001162 1 9  OG  SER 7 C   GLY 8 sing 1 ? ? ? 
PRD_001162 1 10 N   GLY 8 CAD 28K 9 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001162 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001162 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001162 1 1 28H ?   N Y 
PRD_001162 1 2 THR THR N Y 
PRD_001162 1 3 28J ?   N Y 
PRD_001162 1 4 D4P ?   N Y 
PRD_001162 1 5 MEA PHE N Y 
PRD_001162 1 6 2TL ?   N Y 
PRD_001162 1 7 SER SER N Y 
PRD_001162 1 8 GLY GLY N Y 
PRD_001162 1 9 28K ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001162 2013-09-10 RCSB "Create molecule" 
PRD_001162 2014-05-21 RCSB "Initial release" 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001162 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1931 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces sp." 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
data_PRD_001163
# 
_pdbx_reference_molecule.prd_id                       PRD_001163 
_pdbx_reference_molecule.name                         "N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)-L-GAMMA-GLUTAMYL-L-GAMMA-GLUTAMYL-L-GAMMA-GLUTAMYL-L-GLUTAMIC ACID" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C34 H40 N10 O15" 
_pdbx_reference_molecule.formula_weight               828.739 
_pdbx_reference_molecule.chem_comp_id                 29D 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4MCR 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001163 
_pdbx_reference_entity_subcomponents.seq            "78H GGL GGL GGL GGL" 
_pdbx_reference_entity_subcomponents.chem_comp_id   29D 
# 
_pdbx_reference_entity_list.prd_id          PRD_001163 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001163 1 1 N GGL 5 CD  GGL 4 sing 1 ? ? ? 
PRD_001163 1 2 N GGL 3 CD  GGL 2 sing 1 ? ? ? 
PRD_001163 1 3 N GGL 4 CD  GGL 3 sing 1 ? ? ? 
PRD_001163 1 4 N GGL 2 C21 78H 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001163 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001163 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001163 1 1 78H ? N Y 
PRD_001163 1 2 GGL ? N Y 
PRD_001163 1 3 GGL ? N Y 
PRD_001163 1 4 GGL ? N Y 
PRD_001163 1 5 GGL ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001163 2013-09-11 RCSB "Create molecule"    
PRD_001163 2014-06-18 RCSB "Initial release"    
PRD_001163 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001164
# 
_pdbx_reference_molecule.prd_id                       PRD_001164 
_pdbx_reference_molecule.name                         "N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)-L-GAMMA-GLUTAMYL-L-GAMMA-GLUTAMYL-L-GLUTAMIC ACID" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H33 N9 O12" 
_pdbx_reference_molecule.formula_weight               699.625 
_pdbx_reference_molecule.chem_comp_id                 29C 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4MCQ 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001164 
_pdbx_reference_entity_subcomponents.seq            "78H GGL GGL GGL" 
_pdbx_reference_entity_subcomponents.chem_comp_id   29C 
# 
_pdbx_reference_entity_list.prd_id          PRD_001164 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001164 1 1 N GGL 4 CD  GGL 3 sing 1 ? ? ? 
PRD_001164 1 2 N GGL 2 C21 78H 1 sing 1 ? ? ? 
PRD_001164 1 3 N GGL 3 CD  GGL 2 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001164 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001164 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001164 1 1 78H ? N Y 
PRD_001164 1 2 GGL ? N Y 
PRD_001164 1 3 GGL ? N Y 
PRD_001164 1 4 GGL ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001164 2013-09-11 RCSB "Create molecule"    
PRD_001164 2014-06-18 RCSB "Initial release"    
PRD_001164 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001165
# 
_pdbx_reference_molecule.prd_id                       PRD_001165 
_pdbx_reference_molecule.name                         "N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)-L-GAMMA-GLUTAMYL-L-GLUTAMIC ACID" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H26 N8 O9" 
_pdbx_reference_molecule.formula_weight               570.511 
_pdbx_reference_molecule.chem_comp_id                 28Z 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4MCP 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001165 
_pdbx_reference_entity_subcomponents.seq            "78H GGL GGL" 
_pdbx_reference_entity_subcomponents.chem_comp_id   28Z 
# 
_pdbx_reference_entity_list.prd_id          PRD_001165 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001165 1 1 N GGL 3 CD  GGL 2 sing 1 ? ? ? 
PRD_001165 1 2 N GGL 2 C21 78H 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001165 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001165 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001165 1 1 78H ? N Y 
PRD_001165 1 2 GGL ? N Y 
PRD_001165 1 3 GGL ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001165 2013-09-11 RCSB "Create molecule"    
PRD_001165 2014-06-18 RCSB "Initial release"    
PRD_001165 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001166
# 
_pdbx_reference_molecule.prd_id                       PRD_001166 
_pdbx_reference_molecule.name                         "bicyclic peptide UK749" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C71 H108 N25 O20 S3" 
_pdbx_reference_molecule.formula_weight               1727.968 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4MNW 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_001166 1 1 polymer     ?   
PRD_001166 2 2 non-polymer ZBR 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_001166 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "1,3,5-tris(bromomethyl)benzene" 
_pdbx_reference_entity_nonpoly.chem_comp_id    ZBR 
_pdbx_reference_entity_nonpoly.details         ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_001166 1 PN 1 2  CYS SG 2 ? ZBR C8 sing 1 2 ? ? ? 
PRD_001166 2 PN 1 7  CYS SG 2 ? ZBR C9 sing 1 2 ? ? ? 
PRD_001166 3 PN 1 12 CYS SG 2 ? ZBR C7 sing 1 2 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001166 1 1  C GLN 1  N CYS 2  sing 1 ? ? ? 
PRD_001166 1 2  C CYS 2  N TRP 3  sing 1 ? ? ? 
PRD_001166 1 3  C TRP 3  N ASP 4  sing 1 ? ? ? 
PRD_001166 1 4  C ASP 4  N ARG 5  sing 1 ? ? ? 
PRD_001166 1 5  C ARG 5  N GLY 6  sing 1 ? ? ? 
PRD_001166 1 6  C GLY 6  N CYS 7  sing 1 ? ? ? 
PRD_001166 1 7  C CYS 7  N GLU 8  sing 1 ? ? ? 
PRD_001166 1 8  C GLU 8  N ASN 9  sing 1 ? ? ? 
PRD_001166 1 9  C ASN 9  N ARG 10 sing 1 ? ? ? 
PRD_001166 1 10 C ARG 10 N LYS 11 sing 1 ? ? ? 
PRD_001166 1 11 C LYS 11 N CYS 12 sing 1 ? ? ? 
PRD_001166 1 12 C CYS 12 N ASN 13 sing 1 ? ? ? 
PRD_001166 1 13 C ASN 13 N NH2 14 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001166 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001166 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001166 1 1  GLN GLN N Y 
PRD_001166 1 2  CYS CYS N Y 
PRD_001166 1 3  TRP TRP N Y 
PRD_001166 1 4  ASP ASP N Y 
PRD_001166 1 5  ARG ARG N Y 
PRD_001166 1 6  GLY GLY N Y 
PRD_001166 1 7  CYS CYS N Y 
PRD_001166 1 8  GLU GLU N Y 
PRD_001166 1 9  ASN ASN N Y 
PRD_001166 1 10 ARG ARG N Y 
PRD_001166 1 11 LYS LYS N Y 
PRD_001166 1 12 CYS CYS N Y 
PRD_001166 1 13 ASN ASN N Y 
PRD_001166 1 14 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001166 2013-09-12 RCSB "Create molecule" 
PRD_001166 2014-02-05 RCSB "Initial release" 
# 
data_PRD_001167
# 
_pdbx_reference_molecule.prd_id                       PRD_001167 
_pdbx_reference_molecule.name                         "bicyclic peptide UK811" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C74 H119 N26 O22 S3" 
_pdbx_reference_molecule.formula_weight               1821.093 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4MNX 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_001167 1 1 polymer     ?   
PRD_001167 2 2 non-polymer 29N 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_001167 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one" 
_pdbx_reference_entity_nonpoly.chem_comp_id    29N 
_pdbx_reference_entity_nonpoly.details         ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_001167 1 PN 1 2  CYS SG 2 ? 29N C19 sing 1 2 ? ? ? 
PRD_001167 2 PN 1 7  CYS SG 2 ? 29N C25 sing 1 2 ? ? ? 
PRD_001167 3 PN 1 12 CYS SG 2 ? 29N C16 sing 1 2 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001167 1 1  C LEU 1  N CYS 2  sing 1 ? ? ? 
PRD_001167 1 2  C CYS 2  N SER 3  sing 1 ? ? ? 
PRD_001167 1 3  C SER 3  N ASP 4  sing 1 ? ? ? 
PRD_001167 1 4  C ASP 4  N ARG 5  sing 1 ? ? ? 
PRD_001167 1 5  C ARG 5  N GLY 6  sing 1 ? ? ? 
PRD_001167 1 6  C GLY 6  N CYS 7  sing 1 ? ? ? 
PRD_001167 1 7  C CYS 7  N GLU 8  sing 1 ? ? ? 
PRD_001167 1 8  C GLU 8  N ASN 9  sing 1 ? ? ? 
PRD_001167 1 9  C ASN 9  N ARG 10 sing 1 ? ? ? 
PRD_001167 1 10 C ARG 10 N TRP 11 sing 1 ? ? ? 
PRD_001167 1 11 C TRP 11 N CYS 12 sing 1 ? ? ? 
PRD_001167 1 12 C CYS 12 N LYS 13 sing 1 ? ? ? 
PRD_001167 1 13 C LYS 13 N NH2 14 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001167 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001167 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001167 1 1  LEU LEU N Y 
PRD_001167 1 2  CYS CYS N Y 
PRD_001167 1 3  SER SER N Y 
PRD_001167 1 4  ASP ASP N Y 
PRD_001167 1 5  ARG ARG N Y 
PRD_001167 1 6  GLY GLY N Y 
PRD_001167 1 7  CYS CYS N Y 
PRD_001167 1 8  GLU GLU N Y 
PRD_001167 1 9  ASN ASN N Y 
PRD_001167 1 10 ARG ARG N Y 
PRD_001167 1 11 TRP TRP N Y 
PRD_001167 1 12 CYS CYS N Y 
PRD_001167 1 13 LYS LYS N Y 
PRD_001167 1 14 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001167 2013-09-12 RCSB "Create molecule" 
PRD_001167 2014-02-05 RCSB "Initial release" 
# 
data_PRD_001168
# 
_pdbx_reference_molecule.prd_id                       PRD_001168 
_pdbx_reference_molecule.name                         "bicyclic peptide UK903" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C72 H103 N19 O19 S3" 
_pdbx_reference_molecule.formula_weight               1634.899 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4MNY 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_001168 1 1 polymer     ?   
PRD_001168 2 2 non-polymer 29O 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_001168 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "N,N',N''-benzene-1,3,5-triyltris(2-bromoacetamide)" 
_pdbx_reference_entity_nonpoly.chem_comp_id    29O 
_pdbx_reference_entity_nonpoly.details         ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_001168 1 PN 1 2  CYS SG 2 ? 29O C9  sing 1 2 ? ? ? 
PRD_001168 2 PN 1 7  CYS SG 2 ? 29O C10 sing 1 2 ? ? ? 
PRD_001168 3 PN 1 12 CYS SG 2 ? 29O C12 sing 1 2 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001168 1 1  C GLY 1  N CYS 2  sing 1 ? ? ? 
PRD_001168 1 2  C CYS 2  N GLN 3  sing 1 ? ? ? 
PRD_001168 1 3  C GLN 3  N VAL 4  sing 1 ? ? ? 
PRD_001168 1 4  C VAL 4  N ASN 5  sing 1 ? ? ? 
PRD_001168 1 5  C ASN 5  N TYR 6  sing 1 ? ? ? 
PRD_001168 1 6  C TYR 6  N CYS 7  sing 1 ? ? ? 
PRD_001168 1 7  C CYS 7  N PRO 8  sing 1 ? ? ? 
PRD_001168 1 8  C PRO 8  N PRO 9  sing 1 ? ? ? 
PRD_001168 1 9  C PRO 9  N VAL 10 sing 1 ? ? ? 
PRD_001168 1 10 C VAL 10 N PRO 11 sing 1 ? ? ? 
PRD_001168 1 11 C PRO 11 N CYS 12 sing 1 ? ? ? 
PRD_001168 1 12 C CYS 12 N LEU 13 sing 1 ? ? ? 
PRD_001168 1 13 C LEU 13 N NH2 14 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001168 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001168 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001168 1 1  GLY GLY N Y 
PRD_001168 1 2  CYS CYS N Y 
PRD_001168 1 3  GLN GLN N Y 
PRD_001168 1 4  VAL VAL N Y 
PRD_001168 1 5  ASN ASN N Y 
PRD_001168 1 6  TYR TYR N Y 
PRD_001168 1 7  CYS CYS N Y 
PRD_001168 1 8  PRO PRO N Y 
PRD_001168 1 9  PRO PRO N Y 
PRD_001168 1 10 VAL VAL N Y 
PRD_001168 1 11 PRO PRO N Y 
PRD_001168 1 12 CYS CYS N Y 
PRD_001168 1 13 LEU LEU N Y 
PRD_001168 1 14 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001168 2013-09-12 RCSB "Create molecule" 
PRD_001168 2014-02-05 RCSB "Initial release" 
# 
data_PRD_001169
# 
_pdbx_reference_molecule.prd_id                       PRD_001169 
_pdbx_reference_molecule.name                         "Teicoplanin pseudoaglycone" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Glycopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C88 H97 Cl2 N9 O33" 
_pdbx_reference_molecule.formula_weight               1879.658 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4MFQ 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_001169 1 1 polymer     ?   
PRD_001169 2 2 non-polymer DKA 
PRD_001169 3 3 non-polymer NAG 
PRD_001169 4 4 non-polymer GCS 
PRD_001169 5 5 non-polymer MAN 
# 
loop_
_pdbx_reference_entity_nonpoly.prd_id 
_pdbx_reference_entity_nonpoly.ref_entity_id 
_pdbx_reference_entity_nonpoly.name 
_pdbx_reference_entity_nonpoly.chem_comp_id 
_pdbx_reference_entity_nonpoly.details 
PRD_001169 2 "DECANOIC ACID"        DKA ? 
PRD_001169 3 N-ACETYL-D-GLUCOSAMINE NAG ? 
PRD_001169 4 D-GLUCOSAMINE          GCS ? 
PRD_001169 5 ALPHA-D-MANNOSE        MAN ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_001169 1 PN 1 4 GHP O4  4 ? GCS C1 sing 1 4 ? ? ? 
PRD_001169 2 PN 1 6 OMY ODE 3 ? NAG C1 sing 1 3 ? ? ? 
PRD_001169 3 PN 1 7 3FG OD1 5 ? MAN C1 sing 1 5 ? ? ? 
PRD_001169 4 NN 2 ? DKA C1  4 ? GCS N2 sing 2 4 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001169 1 1  C   GHP 1 N   3MY 2 sing 1 ? ? ? 
PRD_001169 1 2  C3  GHP 1 OD2 3FG 3 sing 1 ? ? ? 
PRD_001169 1 3  OBD 3MY 2 C3  GHP 4 sing 1 ? ? ? 
PRD_001169 1 4  C   3MY 2 N   3FG 3 sing 1 ? ? ? 
PRD_001169 1 5  C   3FG 3 N   GHP 4 sing 1 ? ? ? 
PRD_001169 1 6  C   GHP 4 N   GHP 5 sing 1 ? ? ? 
PRD_001169 1 7  C5  GHP 4 OCZ OMY 6 sing 1 ? ? ? 
PRD_001169 1 8  C   GHP 5 N   OMY 6 sing 1 ? ? ? 
PRD_001169 1 9  C5  GHP 5 CG1 3FG 7 sing 1 ? ? ? 
PRD_001169 1 10 C   OMY 6 N   3FG 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001169 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001169 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001169 1 1 GHP ?   N Y 
PRD_001169 1 2 3MY TYR N Y 
PRD_001169 1 3 3FG ?   N Y 
PRD_001169 1 4 GHP ?   N Y 
PRD_001169 1 5 GHP ?   N Y 
PRD_001169 1 6 OMY TYR N Y 
PRD_001169 1 7 3FG ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001169 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1867 
_pdbx_reference_entity_src_nat.organism_scientific   "Actinoplanes teichomyceticus" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001169 2013-09-18 PDBJ "Create molecule" 
PRD_001169 2014-09-03 RCSB "Initial release" 
# 
data_PRD_001171
# 
_pdbx_reference_molecule.prd_id                       PRD_001171 
_pdbx_reference_molecule.name                         "Serine protease inhibitor BEZ-NLE-LYS-ARG-M9P" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H57 F3 N11 O5" 
_pdbx_reference_molecule.formula_weight               732.861 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             " " 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2M9P 
# 
_pdbx_reference_entity_list.prd_id          PRD_001171 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001171 1 1 C BEZ 1 N NLE 2 sing 1 ? ? ? 
PRD_001171 1 2 C NLE 2 N LYS 3 sing 1 ? ? ? 
PRD_001171 1 3 C LYS 3 N ARG 4 sing 1 ? ? ? 
PRD_001171 1 4 C ARG 4 N M9P 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001171 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001171 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001171 1 1 BEZ ?   N Y 
PRD_001171 1 2 NLE LEU N Y 
PRD_001171 1 3 LYS LYS N Y 
PRD_001171 1 4 ARG ARG N Y 
PRD_001171 1 5 M9P ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001171 2013-09-30 RCSB "Create molecule" 
PRD_001171 2014-07-08 RCSB "Initial release" 
# 
data_PRD_001172
# 
_pdbx_reference_molecule.prd_id                       PRD_001172 
_pdbx_reference_molecule.name                         "nosiheptide bound form" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Thiopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C51 H53 N13 O12 S6" 
_pdbx_reference_molecule.formula_weight               1232.436 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2MC0 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_001172 1 1 polymer     "PEPTIDE LIKE SEQUENCE  RESIDUES 1 TO 13" 
PRD_001172 2 2 non-polymer NO1                                       
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_001172 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "4-(hydroxymethyl)-3-methyl-1H-indole-2-carboxylic acid" 
_pdbx_reference_entity_nonpoly.chem_comp_id    NO1 
_pdbx_reference_entity_nonpoly.details         ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_001172 1 PN 1 6 3GL OE1 2 ? NO1 CF sing 1 2 ? ? ? 
PRD_001172 2 PN 1 8 CYS SG  2 ? NO1 C  sing 1 2 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001172 1 1  CA SER 1  C  BB9 9  sing 1 ? ? ? 
PRD_001172 1 2  C  SER 1  N  BB9 2  doub 1 ? ? ? 
PRD_001172 1 3  C  SER 1  SG BB9 2  sing 1 ? ? ? 
PRD_001172 1 4  CB SER 1  CB MH6 10 sing 1 ? ? ? 
PRD_001172 1 5  C  BB9 2  N  THR 3  sing 1 ? ? ? 
PRD_001172 1 6  C  THR 3  N  DBU 4  sing 1 ? ? ? 
PRD_001172 1 7  C  DBU 4  N  BB9 5  doub 1 ? ? ? 
PRD_001172 1 8  C  DBU 4  SG BB9 5  sing 1 ? ? ? 
PRD_001172 1 9  C  BB9 5  N  3GL 6  sing 1 ? ? ? 
PRD_001172 1 10 C  3GL 6  SG BB9 7  sing 1 ? ? ? 
PRD_001172 1 11 C  3GL 6  N  BB9 7  doub 1 ? ? ? 
PRD_001172 1 12 C  BB9 7  N  CYS 8  sing 1 ? ? ? 
PRD_001172 1 13 C  CYS 8  N  BB9 9  doub 1 ? ? ? 
PRD_001172 1 14 C  CYS 8  SG BB9 9  sing 1 ? ? ? 
PRD_001172 1 15 C  BB9 9  N  MH6 10 doub 1 ? ? ? 
PRD_001172 1 16 C  MH6 10 N  BB9 11 doub 1 ? ? ? 
PRD_001172 1 17 C  MH6 10 SG BB9 11 sing 1 ? ? ? 
PRD_001172 1 18 C  BB9 11 N  ALA 12 sing 1 ? ? ? 
PRD_001172 1 19 C  ALA 12 N  NH2 13 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001172 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001172 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001172 1 1  SER SER N Y 
PRD_001172 1 2  BB9 CYS N Y 
PRD_001172 1 3  THR THR N Y 
PRD_001172 1 4  DBU THR N Y 
PRD_001172 1 5  BB9 CYS N Y 
PRD_001172 1 6  3GL GLU N Y 
PRD_001172 1 7  BB9 CYS N Y 
PRD_001172 1 8  CYS CYS N Y 
PRD_001172 1 9  BB9 CYS N Y 
PRD_001172 1 10 MH6 SER N Y 
PRD_001172 1 11 BB9 CYS N Y 
PRD_001172 1 12 ALA ALA N Y 
PRD_001172 1 13 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001172 2013-10-02 PDBJ "Create molecule" 
PRD_001172 2014-12-10 RCSB "Initial release" 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001172 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1885 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces actuosus" 
_pdbx_reference_entity_src_nat.source                UNP 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
data_PRD_001173
# 
_pdbx_reference_molecule.prd_id                       PRD_001173 
_pdbx_reference_molecule.name                         "Phosphothreonine ester-containing peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C44 H72 N8 O13 P" 
_pdbx_reference_molecule.formula_weight               952.062 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4O6W 
# 
_pdbx_reference_entity_list.prd_id          PRD_001173 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001173 1 1 C ACE 1 N PRO 2 sing 1 ? ? ? 
PRD_001173 1 2 C PRO 2 N LEU 3 sing 1 ? ? ? 
PRD_001173 1 3 C LEU 3 N 2SO 4 sing 1 ? ? ? 
PRD_001173 1 4 C 2SO 4 N SER 5 sing 1 ? ? ? 
PRD_001173 1 5 C SER 5 N TPO 6 sing 1 ? ? ? 
PRD_001173 1 6 C TPO 6 N NH2 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001173 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001173 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001173 1 1 ACE ?   N Y 
PRD_001173 1 2 PRO PRO N Y 
PRD_001173 1 3 LEU LEU N Y 
PRD_001173 1 4 2SO HIS N Y 
PRD_001173 1 5 SER SER N Y 
PRD_001173 1 6 TPO THR N Y 
PRD_001173 1 7 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001173 2013-10-02 RCSB "Create molecule" 
PRD_001173 2013-10-30 RCSB "Initial release" 
PRD_001173 2014-01-23 RCSB "Modify sequence" 
# 
data_PRD_001174
# 
_pdbx_reference_molecule.prd_id                       PRD_001174 
_pdbx_reference_molecule.name                         "(2S)-2-{[(2R,5S)-5-{[(2S,3S)-2-{[(2S,3R)-2-(ACETYLAMINO)-3-HYDROXYBUTANOYL]AMINO}-3-METHYLPENTANOYL]AMINO}-2-BUTYL-4-OXONONANOYL]AMINO}-N~1~-[(2S)-1-AMINO-5-CARBAMIMIDAMIDO-1-OXOPENTAN-2-YL]PENTANEDIAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H66 N10 O9" 
_pdbx_reference_molecule.formula_weight               782.971 
_pdbx_reference_molecule.chem_comp_id                 KVI 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3DCK 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001174 
_pdbx_reference_entity_subcomponents.seq            "ACE THR ILE NLK GLN ARG NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   KVI 
# 
_pdbx_reference_entity_list.prd_id          PRD_001174 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001174 1 1 C THR 2 N ILE 3 sing 1 ? ? ? 
PRD_001174 1 2 N THR 2 C ACE 1 sing 1 ? ? ? 
PRD_001174 1 3 N NLK 4 C ILE 3 sing 1 ? ? ? 
PRD_001174 1 4 C NLK 4 N GLN 5 sing 1 ? ? ? 
PRD_001174 1 5 C GLN 5 N ARG 6 sing 1 ? ? ? 
PRD_001174 1 6 N NH2 7 C ARG 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001174 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001174 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001174 1 1 ACE ?   N Y 
PRD_001174 1 2 THR THR N Y 
PRD_001174 1 3 ILE ILE N Y 
PRD_001174 1 4 NLK ?   N Y 
PRD_001174 1 5 GLN GLN N Y 
PRD_001174 1 6 ARG ARG N Y 
PRD_001174 1 7 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001174 2013-10-08 PDBJ "Create molecule"    
PRD_001174 2013-10-16 RCSB "Initial release"    
PRD_001174 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001175
# 
_pdbx_reference_molecule.prd_id                       PRD_001175 
_pdbx_reference_molecule.name                         "N~2~-[(R)-({[(BENZYLOXY)CARBONYL]AMINO}METHYL)(HYDROXY)PHOSPHORYL]-N-(2-METHYLPROPYL)-L-LEUCINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C19 H32 N3 O5 P" 
_pdbx_reference_molecule.formula_weight               413.448 
_pdbx_reference_molecule.chem_comp_id                 2G7 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4MTW 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001175 
_pdbx_reference_entity_subcomponents.seq            "PHQ PGL LEU IBN" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2G7 
# 
_pdbx_reference_entity_list.prd_id          PRD_001175 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001175 1 1 C9 PHQ 1 N PGL 2 sing 1 ? ? ? 
PRD_001175 1 2 P  PGL 2 N LEU 3 sing 1 ? ? ? 
PRD_001175 1 3 N  IBN 4 C LEU 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001175 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001175 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001175 1 1 PHQ ?   N Y 
PRD_001175 1 2 PGL ?   N Y 
PRD_001175 1 3 LEU LEU N Y 
PRD_001175 1 4 IBN ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001175 2013-10-11 RCSB "Create molecule"    
PRD_001175 2014-04-02 RCSB "Initial release"    
PRD_001175 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001177
# 
_pdbx_reference_molecule.prd_id                       PRD_001177 
_pdbx_reference_molecule.name                         "N~2~-[(R)-({[(BENZYLOXY)CARBONYL]AMINO}METHYL)(HYDROXY)PHOSPHORYL]-N-(2-PHENYLETHYL)-L-LEUCINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H32 N3 O5 P" 
_pdbx_reference_molecule.formula_weight               461.491 
_pdbx_reference_molecule.chem_comp_id                 2GC 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4MWP 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001177 
_pdbx_reference_entity_subcomponents.seq            "PHQ PGL LEU PEA" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2GC 
# 
_pdbx_reference_entity_list.prd_id          PRD_001177 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001177 1 1 C9 PHQ 1 N PGL 2 sing 1 ? ? ? 
PRD_001177 1 2 P  PGL 2 N LEU 3 sing 1 ? ? ? 
PRD_001177 1 3 N  PEA 4 C LEU 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001177 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001177 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001177 1 1 PHQ ?   N Y 
PRD_001177 1 2 PGL ?   N Y 
PRD_001177 1 3 LEU LEU N Y 
PRD_001177 1 4 PEA ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001177 2013-10-14 RCSB "Create molecule"    
PRD_001177 2014-04-02 RCSB "Initial release"    
PRD_001177 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001178
# 
_pdbx_reference_molecule.prd_id                       PRD_001178 
_pdbx_reference_molecule.name                         "N~2~-[(R)-({[(BENZYLOXY)CARBONYL]AMINO}METHYL)(HYDROXY)PHOSPHORYL]-N-PROPYL-L-LEUCINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H30 N3 O5 P" 
_pdbx_reference_molecule.formula_weight               399.422 
_pdbx_reference_molecule.chem_comp_id                 2G8 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4MXJ 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001178 
_pdbx_reference_entity_subcomponents.seq            "PHQ PGL LEU 3CN" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2G8 
# 
_pdbx_reference_entity_list.prd_id          PRD_001178 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001178 1 1 C9 PHQ 1 N PGL 2 sing 1 ? ? ? 
PRD_001178 1 2 P  PGL 2 N LEU 3 sing 1 ? ? ? 
PRD_001178 1 3 ND 3CN 4 C LEU 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001178 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001178 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001178 1 1 PHQ ?   N Y 
PRD_001178 1 2 PGL ?   N Y 
PRD_001178 1 3 LEU LEU N Y 
PRD_001178 1 4 3CN ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001178 2013-10-14 RCSB "Create molecule"    
PRD_001178 2014-04-02 RCSB "Initial release"    
PRD_001178 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001179
# 
_pdbx_reference_molecule.prd_id                       PRD_001179 
_pdbx_reference_molecule.name                         "N~2~-[(S)-({[(BENZYLOXY)CARBONYL]AMINO}METHYL)(HYDROXY)PHOSPHORYL]-N-[(2S)-2-METHYLBUTYL]-L-LEUCINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H34 N3 O5 P" 
_pdbx_reference_molecule.formula_weight               427.475 
_pdbx_reference_molecule.chem_comp_id                 2G9 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4MZN 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001179 
_pdbx_reference_entity_subcomponents.seq            "PHQ PGL LEU DCI" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2G9 
# 
_pdbx_reference_entity_list.prd_id          PRD_001179 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001179 1 1 C LEU 3 N  DCI 4 sing 1 ? ? ? 
PRD_001179 1 2 N LEU 3 P  PGL 2 sing 1 ? ? ? 
PRD_001179 1 3 N PGL 2 C9 PHQ 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001179 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001179 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001179 1 1 PHQ ?   N Y 
PRD_001179 1 2 PGL ?   N Y 
PRD_001179 1 3 LEU LEU N Y 
PRD_001179 1 4 DCI ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001179 2013-10-14 RCSB "Create molecule"    
PRD_001179 2014-04-02 RCSB "Initial release"    
PRD_001179 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001180
# 
_pdbx_reference_molecule.prd_id                       PRD_001180 
_pdbx_reference_molecule.name                         "N~2~-[(S)-({[(BENZYLOXY)CARBONYL]AMINO}METHYL)(HYDROXY)PHOSPHORYL]-N-(3,3-DIMETHYLBUTYL)-L-LEUCINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H36 N3 O5 P" 
_pdbx_reference_molecule.formula_weight               441.501 
_pdbx_reference_molecule.chem_comp_id                 2G6 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4N4E 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001180 
_pdbx_reference_entity_subcomponents.seq            "PHQ PGL LEU 2G3" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2G6 
# 
_pdbx_reference_entity_list.prd_id          PRD_001180 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001180 1 1 C LEU 3 N24 2G3 4 sing 1 ? ? ? 
PRD_001180 1 2 N LEU 3 P   PGL 2 sing 1 ? ? ? 
PRD_001180 1 3 N PGL 2 C9  PHQ 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001180 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001180 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001180 1 1 PHQ ?   N Y 
PRD_001180 1 2 PGL ?   N Y 
PRD_001180 1 3 LEU LEU N Y 
PRD_001180 1 4 2G3 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001180 2013-10-14 RCSB "Create molecule"    
PRD_001180 2014-04-02 RCSB "Initial release"    
PRD_001180 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001181
# 
_pdbx_reference_molecule.prd_id                       PRD_001181 
_pdbx_reference_molecule.name                         GE23077 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Antibiotic, Antimicrobial" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H49 N9 O16" 
_pdbx_reference_molecule.formula_weight               803.771 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4MQ9 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_001181 1 1 polymer     ?   
PRD_001181 2 2 non-polymer MB8 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_001181 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "(2Z)-2-methylbut-2-enoic acid" 
_pdbx_reference_entity_nonpoly.chem_comp_id    MB8 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_link.prd_id              PRD_001181 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    1 
_pdbx_reference_entity_link.comp_id_1           2RA 
_pdbx_reference_entity_link.atom_id_1           NG 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    ? 
_pdbx_reference_entity_link.comp_id_2           MB8 
_pdbx_reference_entity_link.atom_id_2           C 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             ? 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001181 1 1 C 2RA 1 N DSN 2 sing 1 ? ? ? 
PRD_001181 1 2 N 2RA 1 C FGL 7 sing 1 ? ? ? 
PRD_001181 1 3 C DSN 2 N DVA 3 sing 1 ? ? ? 
PRD_001181 1 4 C DVA 3 N R2T 4 sing 1 ? ? ? 
PRD_001181 1 5 C R2T 4 N 2TL 5 sing 1 ? ? ? 
PRD_001181 1 6 C 2TL 5 N 0QZ 6 sing 1 ? ? ? 
PRD_001181 1 7 C 0QZ 6 N FGL 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001181 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001181 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001181 1 1 2RA ALA N Y 
PRD_001181 1 2 DSN ?   N Y 
PRD_001181 1 3 DVA ?   N Y 
PRD_001181 1 4 R2T ?   N Y 
PRD_001181 1 5 2TL ?   N Y 
PRD_001181 1 6 0QZ ?   N Y 
PRD_001181 1 7 FGL GLY N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001181 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1989 
_pdbx_reference_entity_src_nat.organism_scientific   "Actinomadura sp." 
_pdbx_reference_entity_src_nat.source                doi 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001181 2013-10-14 RCSB "Create molecule"    
PRD_001181 2014-01-29 RCSB "Other modification" 
PRD_001181 2014-05-07 RCSB "Initial release"    
# 
data_PRD_001182
# 
_pdbx_reference_molecule.prd_id                       PRD_001182 
_pdbx_reference_molecule.name                         "N~2~-[(S)-({[(BENZYLOXY)CARBONYL]AMINO}METHYL)(HYDROXY)PHOSPHORYL]-N-(2,2-DIMETHYLPROPYL)-L-LEUCINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H34 N3 O5 P" 
_pdbx_reference_molecule.formula_weight               427.475 
_pdbx_reference_molecule.chem_comp_id                 2GZ 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4N66 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001182 
_pdbx_reference_entity_subcomponents.seq            "PHQ PGL LEU NPT" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2GZ 
# 
_pdbx_reference_entity_list.prd_id          PRD_001182 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001182 1 1 C LEU 3 N  NPT 4 sing 1 ? ? ? 
PRD_001182 1 2 N LEU 3 P  PGL 2 sing 1 ? ? ? 
PRD_001182 1 3 N PGL 2 C9 PHQ 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001182 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001182 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001182 1 1 PHQ ?   N Y 
PRD_001182 1 2 PGL ?   N Y 
PRD_001182 1 3 LEU LEU N Y 
PRD_001182 1 4 NPT ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001182 2013-10-17 RCSB "Create molecule"    
PRD_001182 2014-04-02 RCSB "Initial release"    
PRD_001182 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001183
# 
_pdbx_reference_molecule.prd_id                       PRD_001183 
_pdbx_reference_molecule.name                         "N~2~-[(S)-({[(BENZYLOXY)CARBONYL]AMINO}METHYL)(HYDROXY)PHOSPHORYL]-N-(3-METHYLBUTYL)-L-LEUCINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H34 N3 O5 P" 
_pdbx_reference_molecule.formula_weight               427.475 
_pdbx_reference_molecule.chem_comp_id                 2H0 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4N5P 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001183 
_pdbx_reference_entity_subcomponents.seq            "PHQ PGL LEU LEN" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2H0 
# 
_pdbx_reference_entity_list.prd_id          PRD_001183 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001183 1 1 C LEU 3 N  LEN 4 sing 1 ? ? ? 
PRD_001183 1 2 N LEU 3 P  PGL 2 sing 1 ? ? ? 
PRD_001183 1 3 N PGL 2 C3 PHQ 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001183 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001183 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001183 1 1 PHQ ?   N Y 
PRD_001183 1 2 PGL ?   N Y 
PRD_001183 1 3 LEU LEU N Y 
PRD_001183 1 4 LEN LEU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001183 2013-10-18 RCSB "Create molecule"    
PRD_001183 2014-04-02 RCSB "Initial release"    
PRD_001183 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001184
# 
_pdbx_reference_molecule.prd_id                       PRD_001184 
_pdbx_reference_molecule.name                         "Dimethyl FK228" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic depsipeptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H42 N4 O6 S2" 
_pdbx_reference_molecule.formula_weight               570.765 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "ROMIDEPSIN (INN, TRADE NAME ISTODAX), CODENAMED FK228 AND FR901228, IS A NATURAL PRODUCT OBTAINED FROM THE BACTERIA CHROMOBACTERIUM VIOLACEUM, AND WORKS BY BLOCKING ENZYMES KNOWN AS HISTONE DEACETYLASES AND INDUCING APOPTOSIS. DIMETHYL FK228 IS THE REDUCED AND MODIFIED FORM OF ROMIDEPSIN, WHICH DOES NOT HAVE THE DISULFIDE INTRAMOLECULAR LINKAGE, AND BOTH SULFHYDRYL GROUPS ARE METHYLATED." 
_pdbx_reference_molecule.description                  "DIMETHYL FK228 IS THE REDUCED AND MODIFIED FORM OF ROMIDEPSIN. THE DISULFIDE INTRAMOLECULAR LINKAGE OF ROMIDEPSIN IS BROKEN, AND BOTH SULFHYDRYL GROUPS ARE METHYLATED." 
_pdbx_reference_molecule.representative_PDB_id_code   4JNA 
# 
_pdbx_reference_entity_list.prd_id          PRD_001184 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001184 1 1 C  1KC 1 N DVA 2 sing 1 ? ? ? 
PRD_001184 1 2 O1 1KC 1 C VAL 5 sing 1 ? ? ? 
PRD_001184 1 3 C  DVA 2 N 060 3 sing 1 ? ? ? 
PRD_001184 1 4 C  060 3 N DBU 4 sing 1 ? ? ? 
PRD_001184 1 5 C  DBU 4 N VAL 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001184 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001184 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001184 1 1 1KC ?   N Y 
PRD_001184 1 2 DVA ?   N Y 
PRD_001184 1 3 060 ?   N Y 
PRD_001184 1 4 DBU THR N Y 
PRD_001184 1 5 VAL VAL N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001184 2013-10-21 RCSB "Create molecule"    
PRD_001184 2014-02-24 RCSB "Other modification" 
PRD_001184 2014-03-05 RCSB "Initial release"    
PRD_001184 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001185
# 
_pdbx_reference_molecule.prd_id                       PRD_001185 
_pdbx_reference_molecule.name                         "CONANTOKIN BK-B" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C46 H64 N10 O25" 
_pdbx_reference_molecule.formula_weight               1157.052 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2M7R 
# 
_pdbx_reference_entity_list.prd_id          PRD_001185 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001185 1 1 C GLY 1 N GLU 2  sing 1 ? ? ? 
PRD_001185 1 2 C GLU 2 N CGU 3  sing 1 ? ? ? 
PRD_001185 1 3 C CGU 3 N CGU 4  sing 1 ? ? ? 
PRD_001185 1 4 C CGU 4 N TYR 5  sing 1 ? ? ? 
PRD_001185 1 5 C TYR 5 N SER 6  sing 1 ? ? ? 
PRD_001185 1 6 C SER 6 N CGU 7  sing 1 ? ? ? 
PRD_001185 1 7 C CGU 7 N ALA 8  sing 1 ? ? ? 
PRD_001185 1 8 C ALA 8 N ILE 9  sing 1 ? ? ? 
PRD_001185 1 9 C ILE 9 N NH2 10 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001185 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001185 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001185 1 1  GLY GLY N Y 
PRD_001185 1 2  GLU GLU N Y 
PRD_001185 1 3  CGU GLU N Y 
PRD_001185 1 4  CGU GLU N Y 
PRD_001185 1 5  TYR TYR N Y 
PRD_001185 1 6  SER SER N Y 
PRD_001185 1 7  CGU GLU N Y 
PRD_001185 1 8  ALA ALA N Y 
PRD_001185 1 9  ILE ILE N Y 
PRD_001185 1 10 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001185 2013-10-22 RCSB "Create molecule" 
PRD_001185 2014-02-19 RCSB "Initial release" 
# 
data_PRD_001186
# 
_pdbx_reference_molecule.prd_id                       PRD_001186 
_pdbx_reference_molecule.name                         "Myosin-A, stapled peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C97 H175 N31 O23 S" 
_pdbx_reference_molecule.formula_weight               2175.686 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "SYNTHESISED PEPTIDE MIMIC OF PLASMODIUM FALCIPARUM MYOSIN A TAIL" 
_pdbx_reference_molecule.representative_PDB_id_code   4MZJ 
# 
_pdbx_reference_entity_list.prd_id          PRD_001186 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001186 1 1  C  ACE 1  N  LYS 2  sing 1 ? ? ? 
PRD_001186 1 2  C  LYS 2  N  ASN 3  sing 1 ? ? ? 
PRD_001186 1 3  C  ASN 3  N  NLE 4  sing 1 ? ? ? 
PRD_001186 1 4  C  NLE 4  N  PRO 5  sing 1 ? ? ? 
PRD_001186 1 5  CE NLE 4  CE NLE 8  doub 1 ? ? ? 
PRD_001186 1 6  C  PRO 5  N  SER 6  sing 1 ? ? ? 
PRD_001186 1 7  C  SER 6  N  LEU 7  sing 1 ? ? ? 
PRD_001186 1 8  C  LEU 7  N  NLE 8  sing 1 ? ? ? 
PRD_001186 1 9  C  NLE 8  N  ARG 9  sing 1 ? ? ? 
PRD_001186 1 10 C  ARG 9  N  VAL 10 sing 1 ? ? ? 
PRD_001186 1 11 C  VAL 10 N  GLN 11 sing 1 ? ? ? 
PRD_001186 1 12 C  GLN 11 N  ALA 12 sing 1 ? ? ? 
PRD_001186 1 13 C  ALA 12 N  HIS 13 sing 1 ? ? ? 
PRD_001186 1 14 C  HIS 13 N  ILE 14 sing 1 ? ? ? 
PRD_001186 1 15 C  ILE 14 N  ARG 15 sing 1 ? ? ? 
PRD_001186 1 16 C  ARG 15 N  LYS 16 sing 1 ? ? ? 
PRD_001186 1 17 C  LYS 16 N  LYS 17 sing 1 ? ? ? 
PRD_001186 1 18 C  LYS 17 N  MET 18 sing 1 ? ? ? 
PRD_001186 1 19 C  MET 18 N  VAL 19 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001186 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         Q8IDR3 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001186 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001186 1 1  ACE ?   N Y 
PRD_001186 1 2  LYS LYS N Y 
PRD_001186 1 3  ASN ASN N Y 
PRD_001186 1 4  NLE LEU N Y 
PRD_001186 1 5  PRO PRO N Y 
PRD_001186 1 6  SER SER N Y 
PRD_001186 1 7  LEU LEU N Y 
PRD_001186 1 8  NLE LEU N Y 
PRD_001186 1 9  ARG ARG N Y 
PRD_001186 1 10 VAL VAL N Y 
PRD_001186 1 11 GLN GLN N Y 
PRD_001186 1 12 ALA ALA N Y 
PRD_001186 1 13 HIS HIS N Y 
PRD_001186 1 14 ILE ILE N Y 
PRD_001186 1 15 ARG ARG N Y 
PRD_001186 1 16 LYS LYS N Y 
PRD_001186 1 17 LYS LYS N Y 
PRD_001186 1 18 MET MET N Y 
PRD_001186 1 19 VAL VAL N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001186 2013-10-23 RCSB "Create molecule"    
PRD_001186 2013-11-06 RCSB "Initial release"    
PRD_001186 2017-12-15 PDBE "Other modification" 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001186 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 36329 
_pdbx_reference_entity_src_nat.organism_scientific   "Plasmodium falciparum" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               Q8IDR3 
_pdbx_reference_entity_src_nat.db_name               UniProtKB 
_pdbx_reference_entity_src_nat.strain                ? 
# 
data_PRD_001187
# 
_pdbx_reference_molecule.prd_id                       PRD_001187 
_pdbx_reference_molecule.name                         "pGly[807,811], a stapled myoA tail peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C98 H177 N31 O23 S" 
_pdbx_reference_molecule.formula_weight               2189.713 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4MZK 
# 
_pdbx_reference_entity_list.prd_id          PRD_001187 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001187 1 1  C  ACE 1  N  LYS 2  sing 1 ? ? ? 
PRD_001187 1 2  C  LYS 2  N  ASN 3  sing 1 ? ? ? 
PRD_001187 1 3  C  ASN 3  N  ILE 4  sing 1 ? ? ? 
PRD_001187 1 4  C  ILE 4  N  PRO 5  sing 1 ? ? ? 
PRD_001187 1 5  C  PRO 5  N  SER 6  sing 1 ? ? ? 
PRD_001187 1 6  C  SER 6  N  LEU 7  sing 1 ? ? ? 
PRD_001187 1 7  C  LEU 7  N  LEU 8  sing 1 ? ? ? 
PRD_001187 1 8  C  LEU 8  N  ARG 9  sing 1 ? ? ? 
PRD_001187 1 9  C  ARG 9  N  NLE 10 sing 1 ? ? ? 
PRD_001187 1 10 C  NLE 10 N  GLN 11 sing 1 ? ? ? 
PRD_001187 1 11 CE NLE 10 CE NLE 14 doub 1 ? ? ? 
PRD_001187 1 12 C  GLN 11 N  ALA 12 sing 1 ? ? ? 
PRD_001187 1 13 C  ALA 12 N  HIS 13 sing 1 ? ? ? 
PRD_001187 1 14 C  HIS 13 N  NLE 14 sing 1 ? ? ? 
PRD_001187 1 15 C  NLE 14 N  ARG 15 sing 1 ? ? ? 
PRD_001187 1 16 C  ARG 15 N  LYS 16 sing 1 ? ? ? 
PRD_001187 1 17 C  LYS 16 N  LYS 17 sing 1 ? ? ? 
PRD_001187 1 18 C  LYS 17 N  MET 18 sing 1 ? ? ? 
PRD_001187 1 19 C  MET 18 N  VAL 19 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001187 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         Q8IDR3 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001187 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001187 1 1  ACE ?   N Y 
PRD_001187 1 2  LYS LYS N Y 
PRD_001187 1 3  ASN ASN N Y 
PRD_001187 1 4  ILE ILE N Y 
PRD_001187 1 5  PRO PRO N Y 
PRD_001187 1 6  SER SER N Y 
PRD_001187 1 7  LEU LEU N Y 
PRD_001187 1 8  LEU LEU N Y 
PRD_001187 1 9  ARG ARG N Y 
PRD_001187 1 10 NLE LEU N Y 
PRD_001187 1 11 GLN GLN N Y 
PRD_001187 1 12 ALA ALA N Y 
PRD_001187 1 13 HIS HIS N Y 
PRD_001187 1 14 NLE LEU N Y 
PRD_001187 1 15 ARG ARG N Y 
PRD_001187 1 16 LYS LYS N Y 
PRD_001187 1 17 LYS LYS N Y 
PRD_001187 1 18 MET MET N Y 
PRD_001187 1 19 VAL VAL N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001187 2013-10-25 RCSB "Create molecule" 
PRD_001187 2013-11-06 RCSB "Initial release" 
# 
data_PRD_001188
# 
_pdbx_reference_molecule.prd_id                       PRD_001188 
_pdbx_reference_molecule.name                         "hydrogen bond surrogate (HBS) myoA helix mimetic" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C92 H167 N29 O22 S" 
_pdbx_reference_molecule.formula_weight               2063.556 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4MZL 
# 
_pdbx_reference_entity_list.prd_id          PRD_001188 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001188 1 1  C1 BUA 1  C1 2JC 4  doub 1 ? ? ? 
PRD_001188 1 2  C4 BUA 1  N  ASN 2  sing 1 ? ? ? 
PRD_001188 1 3  C  ASN 2  N  ILE 3  sing 1 ? ? ? 
PRD_001188 1 4  C  ILE 3  N  2JC 4  sing 1 ? ? ? 
PRD_001188 1 5  C  2JC 4  N  SER 5  sing 1 ? ? ? 
PRD_001188 1 6  C  SER 5  N  LEU 6  sing 1 ? ? ? 
PRD_001188 1 7  C  LEU 6  N  LEU 7  sing 1 ? ? ? 
PRD_001188 1 8  C  LEU 7  N  ARG 8  sing 1 ? ? ? 
PRD_001188 1 9  C  ARG 8  N  VAL 9  sing 1 ? ? ? 
PRD_001188 1 10 C  VAL 9  N  GLN 10 sing 1 ? ? ? 
PRD_001188 1 11 C  GLN 10 N  ALA 11 sing 1 ? ? ? 
PRD_001188 1 12 C  ALA 11 N  HIS 12 sing 1 ? ? ? 
PRD_001188 1 13 C  HIS 12 N  ILE 13 sing 1 ? ? ? 
PRD_001188 1 14 C  ILE 13 N  ARG 14 sing 1 ? ? ? 
PRD_001188 1 15 C  ARG 14 N  LYS 15 sing 1 ? ? ? 
PRD_001188 1 16 C  LYS 15 N  LYS 16 sing 1 ? ? ? 
PRD_001188 1 17 C  LYS 16 N  MET 17 sing 1 ? ? ? 
PRD_001188 1 18 C  MET 17 N  VAL 18 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001188 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         Q8IDR3 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001188 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001188 1 1  BUA ?   N Y 
PRD_001188 1 2  ASN ASN N Y 
PRD_001188 1 3  ILE ILE N Y 
PRD_001188 1 4  2JC ?   N Y 
PRD_001188 1 5  SER SER N Y 
PRD_001188 1 6  LEU LEU N Y 
PRD_001188 1 7  LEU LEU N Y 
PRD_001188 1 8  ARG ARG N Y 
PRD_001188 1 9  VAL VAL N Y 
PRD_001188 1 10 GLN GLN N Y 
PRD_001188 1 11 ALA ALA N Y 
PRD_001188 1 12 HIS HIS N Y 
PRD_001188 1 13 ILE ILE N Y 
PRD_001188 1 14 ARG ARG N Y 
PRD_001188 1 15 LYS LYS N Y 
PRD_001188 1 16 LYS LYS N Y 
PRD_001188 1 17 MET MET N Y 
PRD_001188 1 18 VAL VAL N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001188 2013-10-28 RCSB "Create molecule"       
PRD_001188 2013-10-29 RCSB "Modify representation" 
PRD_001188 2013-11-06 RCSB "Initial release"       
# 
data_PRD_001189
# 
_pdbx_reference_molecule.prd_id                       PRD_001189 
_pdbx_reference_molecule.name                         "ATSP-7041 stapled-peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C87 H124 N16 O22" 
_pdbx_reference_molecule.formula_weight               1746.009 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4N5T 
# 
_pdbx_reference_entity_list.prd_id          PRD_001189 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001189 1 1  C   ACE 1  N  LEU 2  sing 1 ? ? ? 
PRD_001189 1 2  C   LEU 2  N  THR 3  sing 1 ? ? ? 
PRD_001189 1 3  C   THR 3  N  PHE 4  sing 1 ? ? ? 
PRD_001189 1 4  C   PHE 4  N  0EH 5  sing 1 ? ? ? 
PRD_001189 1 5  C   0EH 5  N  GLU 6  sing 1 ? ? ? 
PRD_001189 1 6  CAT 0EH 5  CE MK8 12 doub 1 ? ? ? 
PRD_001189 1 7  C   GLU 6  N  TYR 7  sing 1 ? ? ? 
PRD_001189 1 8  C   TYR 7  N  TRP 8  sing 1 ? ? ? 
PRD_001189 1 9  C   TRP 8  N  ALA 9  sing 1 ? ? ? 
PRD_001189 1 10 C   ALA 9  N  GLN 10 sing 1 ? ? ? 
PRD_001189 1 11 C   GLN 10 N  2JH 11 sing 1 ? ? ? 
PRD_001189 1 12 C   2JH 11 N  MK8 12 sing 1 ? ? ? 
PRD_001189 1 13 C   MK8 12 N  SER 13 sing 1 ? ? ? 
PRD_001189 1 14 C   SER 13 N  ALA 14 sing 1 ? ? ? 
PRD_001189 1 15 C   ALA 14 N  ALA 15 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001189 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001189 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001189 1 1  ACE ?   N Y 
PRD_001189 1 2  LEU LEU N Y 
PRD_001189 1 3  THR THR N Y 
PRD_001189 1 4  PHE PHE N Y 
PRD_001189 1 5  0EH ?   N Y 
PRD_001189 1 6  GLU GLU N Y 
PRD_001189 1 7  TYR TYR N Y 
PRD_001189 1 8  TRP TRP N Y 
PRD_001189 1 9  ALA ALA N Y 
PRD_001189 1 10 GLN GLN N Y 
PRD_001189 1 11 2JH ?   N Y 
PRD_001189 1 12 MK8 LEU N Y 
PRD_001189 1 13 SER SER N Y 
PRD_001189 1 14 ALA ALA N Y 
PRD_001189 1 15 ALA ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001189 2013-11-05 RCSB "Create molecule"    
PRD_001189 2013-11-20 RCSB "Initial release"    
PRD_001189 2023-11-03 PDBE "Other modification" 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001189 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 32630 
_pdbx_reference_entity_src_nat.organism_scientific   "synthetic construct" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
data_PRD_001191
# 
_pdbx_reference_molecule.prd_id                       PRD_001191 
_pdbx_reference_molecule.name                         "iCAL36(BRB-K-1) peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C58 H86 Br N16 O16" 
_pdbx_reference_molecule.formula_weight               1343.305 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4NMV 
# 
_pdbx_reference_entity_list.prd_id          PRD_001191 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001191 1 1 C ALA 1 N ASN 2  sing 1 ? ? ? 
PRD_001191 1 2 C ASN 2 N SER 3  sing 1 ? ? ? 
PRD_001191 1 3 C SER 3 N ARG 4  sing 1 ? ? ? 
PRD_001191 1 4 C ARG 4 N TRP 5  sing 1 ? ? ? 
PRD_001191 1 5 C TRP 5 N PRO 6  sing 1 ? ? ? 
PRD_001191 1 6 C PRO 6 N THR 7  sing 1 ? ? ? 
PRD_001191 1 7 C THR 7 N SER 8  sing 1 ? ? ? 
PRD_001191 1 8 C SER 8 N 2KP 9  sing 1 ? ? ? 
PRD_001191 1 9 C 2KP 9 N ILE 10 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001191 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001191 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001191 1 1  ALA ALA N N 
PRD_001191 1 2  ASN ASN N N 
PRD_001191 1 3  SER SER N N 
PRD_001191 1 4  ARG ARG N N 
PRD_001191 1 5  TRP TRP N Y 
PRD_001191 1 6  PRO PRO N Y 
PRD_001191 1 7  THR THR N Y 
PRD_001191 1 8  SER SER N Y 
PRD_001191 1 9  2KP ?   N Y 
PRD_001191 1 10 ILE ILE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001191 2013-11-20 RCSB "Create molecule" 
PRD_001191 2014-10-01 RCSB "Initial release" 
# 
data_PRD_001192
# 
_pdbx_reference_molecule.prd_id                       PRD_001192 
_pdbx_reference_molecule.name                         "iCAL36(TFA-K-1) peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C53 H82 F3 N16 O16" 
_pdbx_reference_molecule.formula_weight               1256.311 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4NMT 
# 
_pdbx_reference_entity_list.prd_id          PRD_001192 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001192 1 1 C ALA 1 N ASN 2  sing 1 ? ? ? 
PRD_001192 1 2 C ASN 2 N SER 3  sing 1 ? ? ? 
PRD_001192 1 3 C SER 3 N ARG 4  sing 1 ? ? ? 
PRD_001192 1 4 C ARG 4 N TRP 5  sing 1 ? ? ? 
PRD_001192 1 5 C TRP 5 N PRO 6  sing 1 ? ? ? 
PRD_001192 1 6 C PRO 6 N THR 7  sing 1 ? ? ? 
PRD_001192 1 7 C THR 7 N SER 8  sing 1 ? ? ? 
PRD_001192 1 8 C SER 8 N FAK 9  sing 1 ? ? ? 
PRD_001192 1 9 C FAK 9 N ILE 10 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001192 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001192 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001192 1 1  ALA ALA N N 
PRD_001192 1 2  ASN ASN N N 
PRD_001192 1 3  SER SER N N 
PRD_001192 1 4  ARG ARG N Y 
PRD_001192 1 5  TRP TRP N Y 
PRD_001192 1 6  PRO PRO N Y 
PRD_001192 1 7  THR THR N Y 
PRD_001192 1 8  SER SER N Y 
PRD_001192 1 9  FAK LYS N Y 
PRD_001192 1 10 ILE ILE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001192 2013-11-20 RCSB "Create molecule" 
PRD_001192 2014-10-01 RCSB "Initial release" 
# 
data_PRD_001193
# 
_pdbx_reference_molecule.prd_id                       PRD_001193 
_pdbx_reference_molecule.name                         "iCAL36(FLB-K-1) peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C58 H86 F N16 O16" 
_pdbx_reference_molecule.formula_weight               1282.399 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4NMS 
# 
_pdbx_reference_entity_list.prd_id          PRD_001193 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001193 1 1 C ALA 1 N ASN 2  sing 1 ? ? ? 
PRD_001193 1 2 C ASN 2 N SER 3  sing 1 ? ? ? 
PRD_001193 1 3 C SER 3 N ARG 4  sing 1 ? ? ? 
PRD_001193 1 4 C ARG 4 N TRP 5  sing 1 ? ? ? 
PRD_001193 1 5 C TRP 5 N PRO 6  sing 1 ? ? ? 
PRD_001193 1 6 C PRO 6 N THR 7  sing 1 ? ? ? 
PRD_001193 1 7 C THR 7 N SER 8  sing 1 ? ? ? 
PRD_001193 1 8 C SER 8 N 2KK 9  sing 1 ? ? ? 
PRD_001193 1 9 C 2KK 9 N ILE 10 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001193 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001193 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001193 1 1  ALA ALA N N 
PRD_001193 1 2  ASN ASN N N 
PRD_001193 1 3  SER SER N N 
PRD_001193 1 4  ARG ARG N N 
PRD_001193 1 5  TRP TRP N Y 
PRD_001193 1 6  PRO PRO N Y 
PRD_001193 1 7  THR THR N Y 
PRD_001193 1 8  SER SER N Y 
PRD_001193 1 9  2KK ?   N Y 
PRD_001193 1 10 ILE ILE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001193 2013-11-20 RCSB "Create molecule" 
PRD_001193 2014-10-01 RCSB "Initial release" 
# 
data_PRD_001194
# 
_pdbx_reference_molecule.prd_id                       PRD_001194 
_pdbx_reference_molecule.name                         "iCAL36(Ac-K-5) peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C48 H86 N15 O16" 
_pdbx_reference_molecule.formula_weight               1129.287 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4NMR 
# 
_pdbx_reference_entity_list.prd_id          PRD_001194 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001194 1 1 C ALA 1 N ASN 2  sing 1 ? ? ? 
PRD_001194 1 2 C ASN 2 N SER 3  sing 1 ? ? ? 
PRD_001194 1 3 C SER 3 N ARG 4  sing 1 ? ? ? 
PRD_001194 1 4 C ARG 4 N ALY 5  sing 1 ? ? ? 
PRD_001194 1 5 C ALY 5 N PRO 6  sing 1 ? ? ? 
PRD_001194 1 6 C PRO 6 N THR 7  sing 1 ? ? ? 
PRD_001194 1 7 C THR 7 N SER 8  sing 1 ? ? ? 
PRD_001194 1 8 C SER 8 N ILE 9  sing 1 ? ? ? 
PRD_001194 1 9 C ILE 9 N ILE 10 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001194 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001194 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001194 1 1  ALA ALA N Y 
PRD_001194 1 2  ASN ASN N Y 
PRD_001194 1 3  SER SER N Y 
PRD_001194 1 4  ARG ARG N Y 
PRD_001194 1 5  ALY LYS N Y 
PRD_001194 1 6  PRO PRO N Y 
PRD_001194 1 7  THR THR N Y 
PRD_001194 1 8  SER SER N Y 
PRD_001194 1 9  ILE ILE N Y 
PRD_001194 1 10 ILE ILE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001194 2013-11-20 RCSB "Create molecule" 
PRD_001194 2014-10-01 RCSB "Initial release" 
# 
data_PRD_001195
# 
_pdbx_reference_molecule.prd_id                       PRD_001195 
_pdbx_reference_molecule.name                         "iCAL36(Ac-K-4) peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C54 H89 N16 O16" 
_pdbx_reference_molecule.formula_weight               1218.382 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4NMQ 
# 
_pdbx_reference_entity_list.prd_id          PRD_001195 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001195 1 1 C ALA 1 N ASN 2  sing 1 ? ? ? 
PRD_001195 1 2 C ASN 2 N SER 3  sing 1 ? ? ? 
PRD_001195 1 3 C SER 3 N ARG 4  sing 1 ? ? ? 
PRD_001195 1 4 C ARG 4 N TRP 5  sing 1 ? ? ? 
PRD_001195 1 5 C TRP 5 N ALY 6  sing 1 ? ? ? 
PRD_001195 1 6 C ALY 6 N THR 7  sing 1 ? ? ? 
PRD_001195 1 7 C THR 7 N SER 8  sing 1 ? ? ? 
PRD_001195 1 8 C SER 8 N ILE 9  sing 1 ? ? ? 
PRD_001195 1 9 C ILE 9 N ILE 10 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001195 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001195 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001195 1 1  ALA ALA N Y 
PRD_001195 1 2  ASN ASN N Y 
PRD_001195 1 3  SER SER N Y 
PRD_001195 1 4  ARG ARG N Y 
PRD_001195 1 5  TRP TRP N Y 
PRD_001195 1 6  ALY LYS N Y 
PRD_001195 1 7  THR THR N Y 
PRD_001195 1 8  SER SER N Y 
PRD_001195 1 9  ILE ILE N Y 
PRD_001195 1 10 ILE ILE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001195 2013-11-20 RCSB "Create molecule" 
PRD_001195 2014-10-01 RCSB "Initial release" 
# 
data_PRD_001196
# 
_pdbx_reference_molecule.prd_id                       PRD_001196 
_pdbx_reference_molecule.name                         "iCAL36(Ac-K-3) peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C55 H89 N16 O15" 
_pdbx_reference_molecule.formula_weight               1214.393 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4NMP 
# 
_pdbx_reference_entity_list.prd_id          PRD_001196 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001196 1 1 C ALA 1 N ASN 2  sing 1 ? ? ? 
PRD_001196 1 2 C ASN 2 N SER 3  sing 1 ? ? ? 
PRD_001196 1 3 C SER 3 N ARG 4  sing 1 ? ? ? 
PRD_001196 1 4 C ARG 4 N TRP 5  sing 1 ? ? ? 
PRD_001196 1 5 C TRP 5 N PRO 6  sing 1 ? ? ? 
PRD_001196 1 6 C PRO 6 N ALY 7  sing 1 ? ? ? 
PRD_001196 1 7 C ALY 7 N SER 8  sing 1 ? ? ? 
PRD_001196 1 8 C SER 8 N ILE 9  sing 1 ? ? ? 
PRD_001196 1 9 C ILE 9 N ILE 10 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001196 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001196 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001196 1 1  ALA ALA N N 
PRD_001196 1 2  ASN ASN N N 
PRD_001196 1 3  SER SER N N 
PRD_001196 1 4  ARG ARG N N 
PRD_001196 1 5  TRP TRP N Y 
PRD_001196 1 6  PRO PRO N Y 
PRD_001196 1 7  ALY LYS N Y 
PRD_001196 1 8  SER SER N Y 
PRD_001196 1 9  ILE ILE N Y 
PRD_001196 1 10 ILE ILE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001196 2013-11-20 RCSB "Create molecule" 
PRD_001196 2014-10-01 RCSB "Initial release" 
# 
data_PRD_001197
# 
_pdbx_reference_molecule.prd_id                       PRD_001197 
_pdbx_reference_molecule.name                         "iCAL36(Ac-K-1) peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C53 H85 N16 O16" 
_pdbx_reference_molecule.formula_weight               1202.340 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4NMO 
# 
_pdbx_reference_entity_list.prd_id          PRD_001197 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001197 1 1 C ALA 1 N ASN 2  sing 1 ? ? ? 
PRD_001197 1 2 C ASN 2 N SER 3  sing 1 ? ? ? 
PRD_001197 1 3 C SER 3 N ARG 4  sing 1 ? ? ? 
PRD_001197 1 4 C ARG 4 N TRP 5  sing 1 ? ? ? 
PRD_001197 1 5 C TRP 5 N PRO 6  sing 1 ? ? ? 
PRD_001197 1 6 C PRO 6 N THR 7  sing 1 ? ? ? 
PRD_001197 1 7 C THR 7 N SER 8  sing 1 ? ? ? 
PRD_001197 1 8 C SER 8 N ALY 9  sing 1 ? ? ? 
PRD_001197 1 9 C ALY 9 N ILE 10 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001197 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001197 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001197 1 1  ALA ALA N N 
PRD_001197 1 2  ASN ASN N N 
PRD_001197 1 3  SER SER N N 
PRD_001197 1 4  ARG ARG N Y 
PRD_001197 1 5  TRP TRP N Y 
PRD_001197 1 6  PRO PRO N Y 
PRD_001197 1 7  THR THR N Y 
PRD_001197 1 8  SER SER N Y 
PRD_001197 1 9  ALY LYS N Y 
PRD_001197 1 10 ILE ILE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001197 2013-11-20 RCSB "Create molecule" 
PRD_001197 2014-10-01 RCSB "Initial release" 
# 
data_PRD_001198
# 
_pdbx_reference_molecule.prd_id                       PRD_001198 
_pdbx_reference_molecule.name                         
;(3AR,5AS,8S,10AS)-1-[(3S,6R,8AS)-1'-[(2S)-2-ACETAMIDO-3-(2-CHLOROPHENYL)PROPANOYL]-5-OXIDANYLIDENE-SPIRO[1,2,3,8A-TETRAHYDROINDOLIZINE-6,2'-PYRROLIDINE]-3-YL]CARBONYL-10-OXIDANYLIDENE-2,3,3A,5A,8,10A-HEXAHYDRODIPYRROLO[3,2-B:3',1'-F]AZEPINE-8-CARBOXYLIC ACID
;
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H38 Cl N5 O7" 
_pdbx_reference_molecule.formula_weight               676.159 
_pdbx_reference_molecule.chem_comp_id                 3VH 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4MY6 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001198 
_pdbx_reference_entity_subcomponents.seq            "ACT 2L5 2L6 2L9" 
_pdbx_reference_entity_subcomponents.chem_comp_id   3VH 
# 
_pdbx_reference_entity_list.prd_id          PRD_001198 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001198 1 1 C ACT 1 N  2L5 2 sing 1 ? ? ? 
PRD_001198 1 2 C 2L5 2 N  2L6 3 sing 1 ? ? ? 
PRD_001198 1 3 C 2L6 3 N2 2L9 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001198 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001198 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001198 1 1 ACT ? N Y 
PRD_001198 1 2 2L5 ? N Y 
PRD_001198 1 3 2L6 ? N Y 
PRD_001198 1 4 2L9 ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001198 2013-11-26 RCSB "Create molecule"    
PRD_001198 2014-10-15 RCSB "Initial release"    
PRD_001198 2017-09-14 RCSB "Other modification" 
PRD_001198 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001200
# 
_pdbx_reference_molecule.prd_id                       PRD_001200 
_pdbx_reference_molecule.name                         "PHQ-LEU-LEU-LEU-EPOXYKETONE, unbound form" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H47 N3 O6" 
_pdbx_reference_molecule.formula_weight               533.700 
_pdbx_reference_molecule.chem_comp_id                 2LR 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4NO9 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001200 
_pdbx_reference_entity_subcomponents.seq            "PHQ LEU LEU 2LS" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2LR 
# 
_pdbx_reference_entity_list.prd_id          PRD_001200 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001200 1 1 C1 PHQ 1 N   LEU 2 sing 1 ? ? ? 
PRD_001200 1 2 C  LEU 2 N   LEU 3 sing 1 ? ? ? 
PRD_001200 1 3 C  LEU 3 N24 2LS 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001200 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001200 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001200 1 1 PHQ ?   N Y 
PRD_001200 1 2 LEU LEU N Y 
PRD_001200 1 3 LEU LEU N Y 
PRD_001200 1 4 2LS ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001200 2013-11-29 RCSB "Create molecule"    
PRD_001200 2014-02-12 RCSB "Initial release"    
PRD_001200 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001201
# 
_pdbx_reference_molecule.prd_id                       PRD_001201 
_pdbx_reference_molecule.name                         "PHQ-LEU-LEU-LEU-EPOXYKETONE, bound form" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H49 N3 O6" 
_pdbx_reference_molecule.formula_weight               535.716 
_pdbx_reference_molecule.chem_comp_id                 2L0 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4NO9 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001201 
_pdbx_reference_entity_subcomponents.seq            "PHQ LEU LEU 05W" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2L0 
# 
_pdbx_reference_entity_list.prd_id          PRD_001201 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001201 1 1 C1 PHQ 1 N LEU 2 sing 1 ? ? ? 
PRD_001201 1 2 C  LEU 2 N LEU 3 sing 1 ? ? ? 
PRD_001201 1 3 C  LEU 3 N 05W 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001201 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001201 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001201 1 1 PHQ ?   N Y 
PRD_001201 1 2 LEU LEU N Y 
PRD_001201 1 3 LEU LEU N Y 
PRD_001201 1 4 05W ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001201 2013-11-29 RCSB "Create molecule"    
PRD_001201 2014-02-12 RCSB "Initial release"    
PRD_001201 2017-09-14 RCSB "Other modification" 
PRD_001201 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001205
# 
_pdbx_reference_molecule.prd_id                       PRD_001205 
_pdbx_reference_molecule.name                         "PHQ-LEU-LEU-LEU-ketoamide, bound form" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C33 H48 N4 O6" 
_pdbx_reference_molecule.formula_weight               596.757 
_pdbx_reference_molecule.chem_comp_id                 2LV 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4NO8 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001205 
_pdbx_reference_entity_subcomponents.seq            "PHQ LEU LEU L3O ANL" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2LV 
# 
_pdbx_reference_entity_list.prd_id          PRD_001205 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001205 1 1 C L3O 4 N  ANL 5 sing 1 ? ? ? 
PRD_001205 1 2 N L3O 4 C  LEU 3 sing 1 ? ? ? 
PRD_001205 1 3 N LEU 3 C  LEU 2 sing 1 ? ? ? 
PRD_001205 1 4 N LEU 2 C1 PHQ 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001205 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001205 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001205 1 1 PHQ ?   N Y 
PRD_001205 1 2 LEU LEU N Y 
PRD_001205 1 3 LEU LEU N Y 
PRD_001205 1 4 L3O LEU N Y 
PRD_001205 1 5 ANL ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001205 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 4932 
_pdbx_reference_entity_src_nat.organism_scientific   "Saccharomyces cerevisiae" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001205 2013-11-30 RCSB "Create molecule"    
PRD_001205 2014-02-12 RCSB "Initial release"    
PRD_001205 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001206
# 
_pdbx_reference_molecule.prd_id                       PRD_001206 
_pdbx_reference_molecule.name                         PHQ-Leu-Leu-Leu-vinylsulfone 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H47 N3 O6 S" 
_pdbx_reference_molecule.formula_weight               553.754 
_pdbx_reference_molecule.chem_comp_id                 2M1 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4NO6 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001206 
_pdbx_reference_entity_subcomponents.seq            "PHQ LEU LEU 2M0" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2M1 
# 
_pdbx_reference_entity_list.prd_id          PRD_001206 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001206 1 1 N24 2M0 4 C  LEU 3 sing 1 ? ? ? 
PRD_001206 1 2 N   LEU 3 C  LEU 2 sing 1 ? ? ? 
PRD_001206 1 3 N   LEU 2 C1 PHQ 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001206 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001206 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001206 1 1 PHQ ?   N Y 
PRD_001206 1 2 LEU LEU N Y 
PRD_001206 1 3 LEU LEU N Y 
PRD_001206 1 4 2M0 ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001206 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 4932 
_pdbx_reference_entity_src_nat.organism_scientific   "Saccharomyces cerevisiae" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001206 2013-12-02 RCSB "Create molecule"    
PRD_001206 2014-02-12 RCSB "Initial release"    
PRD_001206 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001207
# 
_pdbx_reference_molecule.prd_id                       PRD_001207 
_pdbx_reference_molecule.name                         "PHQ-Leu-Leu-Leu-ketoaldehyde, bound form" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H45 N3 O6" 
_pdbx_reference_molecule.formula_weight               507.663 
_pdbx_reference_molecule.chem_comp_id                 2MK 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4NNW 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001207 
_pdbx_reference_entity_subcomponents.seq            "PHQ LEU LEU 2MJ" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2MK 
# 
_pdbx_reference_entity_list.prd_id          PRD_001207 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001207 1 1 C1 PHQ 1 N   LEU 2 sing 1 ? ? ? 
PRD_001207 1 2 C  LEU 2 N   LEU 3 sing 1 ? ? ? 
PRD_001207 1 3 C  LEU 3 N20 2MJ 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001207 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001207 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001207 1 1 PHQ ?   N Y 
PRD_001207 1 2 LEU LEU N Y 
PRD_001207 1 3 LEU LEU N Y 
PRD_001207 1 4 2MJ ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001207 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 4932 
_pdbx_reference_entity_src_nat.organism_scientific   "Saccharomyces cerevisiae" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001207 2013-12-04 RCSB "Create molecule"    
PRD_001207 2014-02-12 RCSB "Initial release"    
PRD_001207 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001208
# 
_pdbx_reference_molecule.prd_id                       PRD_001208 
_pdbx_reference_molecule.name                         "Stapled peptide (ACE)NWFNITN(DIV)LW(MK8)I(LYV)KKK" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Unknown 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C106 H165 N27 O28 P" 
_pdbx_reference_molecule.formula_weight               2296.582 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "MODIFIED FRAGMENT OF HIV GLYCOPROTEIN (GP41)" 
_pdbx_reference_molecule.representative_PDB_id_code   4NGH 
# 
_pdbx_reference_entity_list.prd_id          PRD_001208 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "Stapled peptide (ACE)NWFNITN(DIV)LW(MK8)I(LYV)KKK" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001208 1 1  C   ACE 1  N  ASN 2  sing 1 ? ? ? 
PRD_001208 1 2  C   ASN 2  N  TRP 3  sing 1 ? ? ? 
PRD_001208 1 3  C   TRP 3  N  PHE 4  sing 1 ? ? ? 
PRD_001208 1 4  C   PHE 4  N  ASN 5  sing 1 ? ? ? 
PRD_001208 1 5  C   ASN 5  N  ILE 6  sing 1 ? ? ? 
PRD_001208 1 6  C   ILE 6  N  THR 7  sing 1 ? ? ? 
PRD_001208 1 7  C   THR 7  N  ASN 8  sing 1 ? ? ? 
PRD_001208 1 8  C   ASN 8  N  DIV 9  sing 1 ? ? ? 
PRD_001208 1 9  CG1 DIV 9  CE MK8 12 doub 1 ? ? ? 
PRD_001208 1 10 C   DIV 9  N  LEU 10 sing 1 ? ? ? 
PRD_001208 1 11 C   LEU 10 N  TRP 11 sing 1 ? ? ? 
PRD_001208 1 12 C   TRP 11 N  MK8 12 sing 1 ? ? ? 
PRD_001208 1 13 C   MK8 12 N  ILE 13 sing 1 ? ? ? 
PRD_001208 1 14 C   ILE 13 N  LYV 14 sing 1 ? ? ? 
PRD_001208 1 15 C   LYV 14 N  LYS 15 sing 1 ? ? ? 
PRD_001208 1 16 C   LYS 15 N  LYS 16 sing 1 ? ? ? 
PRD_001208 1 17 C   LYS 16 N  LYS 17 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001208 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001208 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001208 1 1  ACE ?   N Y 
PRD_001208 1 2  ASN ASN N Y 
PRD_001208 1 3  TRP TRP N Y 
PRD_001208 1 4  PHE PHE N Y 
PRD_001208 1 5  ASN ASN N Y 
PRD_001208 1 6  ILE ILE N Y 
PRD_001208 1 7  THR THR N Y 
PRD_001208 1 8  ASN ASN N Y 
PRD_001208 1 9  DIV ?   N Y 
PRD_001208 1 10 LEU LEU N Y 
PRD_001208 1 11 TRP TRP N Y 
PRD_001208 1 12 MK8 LEU N Y 
PRD_001208 1 13 ILE ILE N Y 
PRD_001208 1 14 LYV ?   N Y 
PRD_001208 1 15 LYS LYS N Y 
PRD_001208 1 16 LYS LYS N Y 
PRD_001208 1 17 LYS LYS N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001208 2013-12-06 RCSB "Create molecule" 
PRD_001208 2014-12-03 RCSB "Initial release" 
# 
data_PRD_001209
# 
_pdbx_reference_molecule.prd_id                       PRD_001209 
_pdbx_reference_molecule.name                         "Stapled peptide (ACE)NWFNITN(DIV)LW(MK8)IKKKK" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Unknown 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C103 H161 N25 O22" 
_pdbx_reference_molecule.formula_weight               2101.535 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "MODIFIED FRAGMENT OF HIV GLYCOPROTEIN (GP41)" 
_pdbx_reference_molecule.representative_PDB_id_code   4NHC 
# 
_pdbx_reference_entity_list.prd_id          PRD_001209 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "Stapled peptide (ACE)NWFNITN(DIV)LW(MK8)IKKKK" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001209 1 1  C   ACE 1  N  ASN 2  sing 1 ? ? ? 
PRD_001209 1 2  C   ASN 2  N  TRP 3  sing 1 ? ? ? 
PRD_001209 1 3  C   TRP 3  N  PHE 4  sing 1 ? ? ? 
PRD_001209 1 4  C   PHE 4  N  ASN 5  sing 1 ? ? ? 
PRD_001209 1 5  C   ASN 5  N  ILE 6  sing 1 ? ? ? 
PRD_001209 1 6  C   ILE 6  N  THR 7  sing 1 ? ? ? 
PRD_001209 1 7  C   THR 7  N  ASN 8  sing 1 ? ? ? 
PRD_001209 1 8  C   ASN 8  N  DIV 9  sing 1 ? ? ? 
PRD_001209 1 9  CG1 DIV 9  CE MK8 12 doub 1 ? ? ? 
PRD_001209 1 10 C   DIV 9  N  LEU 10 sing 1 ? ? ? 
PRD_001209 1 11 C   LEU 10 N  TRP 11 sing 1 ? ? ? 
PRD_001209 1 12 C   TRP 11 N  MK8 12 sing 1 ? ? ? 
PRD_001209 1 13 C   MK8 12 N  ILE 13 sing 1 ? ? ? 
PRD_001209 1 14 C   ILE 13 N  LYS 14 sing 1 ? ? ? 
PRD_001209 1 15 C   LYS 14 N  LYS 15 sing 1 ? ? ? 
PRD_001209 1 16 C   LYS 15 N  LYS 16 sing 1 ? ? ? 
PRD_001209 1 17 C   LYS 16 N  LYS 17 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001209 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001209 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001209 1 1  ACE ?   N Y 
PRD_001209 1 2  ASN ASN N Y 
PRD_001209 1 3  TRP TRP N Y 
PRD_001209 1 4  PHE PHE N Y 
PRD_001209 1 5  ASN ASN N Y 
PRD_001209 1 6  ILE ILE N Y 
PRD_001209 1 7  THR THR N Y 
PRD_001209 1 8  ASN ASN N Y 
PRD_001209 1 9  DIV ?   N Y 
PRD_001209 1 10 LEU LEU N Y 
PRD_001209 1 11 TRP TRP N Y 
PRD_001209 1 12 MK8 LEU N Y 
PRD_001209 1 13 ILE ILE N Y 
PRD_001209 1 14 LYS LYS N Y 
PRD_001209 1 15 LYS LYS N Y 
PRD_001209 1 16 LYS LYS N Y 
PRD_001209 1 17 LYS LYS N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001209 2013-12-06 RCSB "Create molecule" 
PRD_001209 2014-12-03 RCSB "Initial release" 
# 
data_PRD_001210
# 
_pdbx_reference_molecule.prd_id                       PRD_001210 
_pdbx_reference_molecule.name                         "PHQ-Leu-Leu-Leu-aldehyde MG-132, bound form" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H43 N3 O5" 
_pdbx_reference_molecule.formula_weight               477.637 
_pdbx_reference_molecule.chem_comp_id                 ALD 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4NNN 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001210 
_pdbx_reference_entity_subcomponents.seq            "PHQ LEU LEU DCL" 
_pdbx_reference_entity_subcomponents.chem_comp_id   ALD 
# 
_pdbx_reference_entity_list.prd_id          PRD_001210 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001210 1 1 C1 PHQ 1 N LEU 2 sing 1 ? ? ? 
PRD_001210 1 2 C  LEU 2 N LEU 3 sing 1 ? ? ? 
PRD_001210 1 3 C  LEU 3 N DCL 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001210 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001210 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001210 1 1 PHQ ?   N Y 
PRD_001210 1 2 LEU LEU N Y 
PRD_001210 1 3 LEU LEU N Y 
PRD_001210 1 4 DCL ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001210 2013-12-09 RCSB "Create molecule"    
PRD_001210 2014-02-12 RCSB "Initial release"    
PRD_001210 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001211
# 
_pdbx_reference_molecule.prd_id                       PRD_001211 
_pdbx_reference_molecule.name                         "LEDGF peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H45 N8 O9" 
_pdbx_reference_molecule.formula_weight               625.694 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3WNE 
# 
_pdbx_reference_entity_list.prd_id          PRD_001211 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001211 1 1 N PRO 1 C GLY 6 sing 1 ? ? ? 
PRD_001211 1 2 C PRO 1 N LYS 2 sing 1 ? ? ? 
PRD_001211 1 3 C LYS 2 N ILE 3 sing 1 ? ? ? 
PRD_001211 1 4 C ILE 3 N ASP 4 sing 1 ? ? ? 
PRD_001211 1 5 C ASP 4 N ASN 5 sing 1 ? ? ? 
PRD_001211 1 6 C ASN 5 N GLY 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001211 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001211 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001211 1 1 PRO PRO N Y 
PRD_001211 1 2 LYS LYS N Y 
PRD_001211 1 3 ILE ILE N Y 
PRD_001211 1 4 ASP ASP N Y 
PRD_001211 1 5 ASN ASN N Y 
PRD_001211 1 6 GLY GLY N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001211 2013-12-10 PDBJ "Create molecule" 
PRD_001211 2013-12-25 RCSB "Initial release" 
PRD_001211 2014-03-25 PDBJ "Modify sequence" 
# 
data_PRD_001212
# 
_pdbx_reference_molecule.prd_id                       PRD_001212 
_pdbx_reference_molecule.name                         "CKIDNC peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H48 N9 O10 S2" 
_pdbx_reference_molecule.formula_weight               734.865 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3WNF 
# 
_pdbx_reference_entity_list.prd_id          PRD_001212 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001212 1 1 C  ACE 1 N  CYS 2 sing 1 ? ? ? 
PRD_001212 1 2 C  CYS 2 N  LYS 3 sing 1 ? ? ? 
PRD_001212 1 3 SG CYS 2 SG CYS 7 sing 1 ? ? ? 
PRD_001212 1 4 C  LYS 3 N  ILE 4 sing 1 ? ? ? 
PRD_001212 1 5 C  ILE 4 N  ASP 5 sing 1 ? ? ? 
PRD_001212 1 6 C  ASP 5 N  ASN 6 sing 1 ? ? ? 
PRD_001212 1 7 C  ASN 6 N  CYS 7 sing 1 ? ? ? 
PRD_001212 1 8 C  CYS 7 N  NH2 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001212 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001212 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001212 1 1 ACE ?   N Y 
PRD_001212 1 2 CYS CYS N Y 
PRD_001212 1 3 LYS LYS N Y 
PRD_001212 1 4 ILE ILE N Y 
PRD_001212 1 5 ASP ASP N Y 
PRD_001212 1 6 ASN ASN N Y 
PRD_001212 1 7 CYS CYS N Y 
PRD_001212 1 8 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001212 2013-12-11 PDBJ "Create molecule"      
PRD_001212 2013-12-12 PDBJ "Modify molecule name" 
PRD_001212 2013-12-25 RCSB "Initial release"      
# 
data_PRD_001213
# 
_pdbx_reference_molecule.prd_id                       PRD_001213 
_pdbx_reference_molecule.name                         "PK(NLE)DN(DVA) peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H51 N8 O9" 
_pdbx_reference_molecule.formula_weight               667.774 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3WNH 
# 
_pdbx_reference_entity_list.prd_id          PRD_001213 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001213 1 1 N PRO 1 C DVA 6 sing 1 ? ? ? 
PRD_001213 1 2 C PRO 1 N LYS 2 sing 1 ? ? ? 
PRD_001213 1 3 C LYS 2 N NLE 3 sing 1 ? ? ? 
PRD_001213 1 4 C NLE 3 N ASP 4 sing 1 ? ? ? 
PRD_001213 1 5 C ASP 4 N ASN 5 sing 1 ? ? ? 
PRD_001213 1 6 C ASN 5 N DVA 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001213 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001213 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001213 1 1 PRO PRO N Y 
PRD_001213 1 2 LYS LYS N Y 
PRD_001213 1 3 NLE LEU N Y 
PRD_001213 1 4 ASP ASP N Y 
PRD_001213 1 5 ASN ASN N Y 
PRD_001213 1 6 DVA ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001213 2013-12-11 PDBJ "Create molecule" 
PRD_001213 2013-12-25 RCSB "Initial release" 
# 
data_PRD_001214
# 
_pdbx_reference_molecule.prd_id                       PRD_001214 
_pdbx_reference_molecule.name                         "PKIDN(DPR) peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H49 N8 O9" 
_pdbx_reference_molecule.formula_weight               665.758 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3WNG 
# 
_pdbx_reference_entity_list.prd_id          PRD_001214 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001214 1 1 N PRO 1 C DPR 6 sing 1 ? ? ? 
PRD_001214 1 2 C PRO 1 N LYS 2 sing 1 ? ? ? 
PRD_001214 1 3 C LYS 2 N ILE 3 sing 1 ? ? ? 
PRD_001214 1 4 C ILE 3 N ASP 4 sing 1 ? ? ? 
PRD_001214 1 5 C ASP 4 N ASN 5 sing 1 ? ? ? 
PRD_001214 1 6 C ASN 5 N DPR 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001214 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001214 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001214 1 1 PRO PRO N Y 
PRD_001214 1 2 LYS LYS N Y 
PRD_001214 1 3 ILE ILE N Y 
PRD_001214 1 4 ASP ASP N Y 
PRD_001214 1 5 ASN ASN N Y 
PRD_001214 1 6 DPR ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001214 2013-12-11 PDBJ "Create molecule" 
PRD_001214 2013-12-25 RCSB "Initial release" 
# 
data_PRD_001215
# 
_pdbx_reference_molecule.prd_id                       PRD_001215 
_pdbx_reference_molecule.name                         "Macrocyclic Inhibitor (3R,6S,9S,12E,16S)-9-(3-AMINO-3-OXO-PROPYL)-3-[(4-BENZOYLPHENYL)METHYL]-6-(CYCLOHEXYLMETHYL)-2,5,8,11,14-PENTAOXO-1,4,7,10,15-PENTAZACYCLOICOS-12-ENE-16-CARBOXAMIDE" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Macrolide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C40 H48 N7 O9" 
_pdbx_reference_molecule.formula_weight               770.851 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4LTE 
# 
_pdbx_reference_entity_list.prd_id          PRD_001215 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "Macrocyclic Inhibitor" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001215 1 1 C GLN 1 N  PHE 2 sing 1 ? ? ? 
PRD_001215 1 2 C PHE 2 N  DFF 3 sing 1 ? ? ? 
PRD_001215 1 3 C DFF 3 NZ LYN 4 sing 1 ? ? ? 
PRD_001215 1 4 N LYN 4 C  FUM 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001215 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001215 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001215 1 1 GLN GLN N N 
PRD_001215 1 2 PHE PHE N Y 
PRD_001215 1 3 DFF ?   N Y 
PRD_001215 1 4 LYN LYS N Y 
PRD_001215 1 5 FUM ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001215 2013-12-24 RCSB "Create molecule"    
PRD_001215 2014-05-21 RCSB "Initial release"    
PRD_001215 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001216
# 
_pdbx_reference_molecule.prd_id                       PRD_001216 
_pdbx_reference_molecule.name                         Somatostatin-14 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C76 H108 N18 O19 S2" 
_pdbx_reference_molecule.formula_weight               1641.910 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2MI1 
# 
_pdbx_reference_entity_list.prd_id          PRD_001216 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001216 1 1  C  ALA 1  N  GLY 2  sing 1 ? ? ? 
PRD_001216 1 2  C  GLY 2  N  CYS 3  sing 1 ? ? ? 
PRD_001216 1 3  C  CYS 3  N  LYS 4  sing 1 ? ? ? 
PRD_001216 1 4  SG CYS 3  SG CYS 14 sing 1 ? ? ? 
PRD_001216 1 5  C  LYS 4  N  ASN 5  sing 1 ? ? ? 
PRD_001216 1 6  C  ASN 5  N  PHE 6  sing 1 ? ? ? 
PRD_001216 1 7  C  PHE 6  N  PHE 7  sing 1 ? ? ? 
PRD_001216 1 8  C  PHE 7  N  TRP 8  sing 1 ? ? ? 
PRD_001216 1 9  C  TRP 8  N  LYS 9  sing 1 ? ? ? 
PRD_001216 1 10 C  LYS 9  N  THR 10 sing 1 ? ? ? 
PRD_001216 1 11 C  THR 10 N  PHE 11 sing 1 ? ? ? 
PRD_001216 1 12 C  PHE 11 N  THR 12 sing 1 ? ? ? 
PRD_001216 1 13 C  THR 12 N  SER 13 sing 1 ? ? ? 
PRD_001216 1 14 C  SER 13 N  CYS 14 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001216 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         P61278 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001216 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001216 1 1  ALA ALA N Y 
PRD_001216 1 2  GLY GLY N Y 
PRD_001216 1 3  CYS CYS N Y 
PRD_001216 1 4  LYS LYS N Y 
PRD_001216 1 5  ASN ASN N Y 
PRD_001216 1 6  PHE PHE N Y 
PRD_001216 1 7  PHE PHE N Y 
PRD_001216 1 8  TRP TRP N Y 
PRD_001216 1 9  LYS LYS N Y 
PRD_001216 1 10 THR THR N Y 
PRD_001216 1 11 PHE PHE N Y 
PRD_001216 1 12 THR THR N Y 
PRD_001216 1 13 SER SER N Y 
PRD_001216 1 14 CYS CYS N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001216 2013-12-26 PDBJ "Create molecule" 
PRD_001216 2014-05-07 RCSB "Initial release" 
# 
data_PRD_001217
# 
_pdbx_reference_molecule.prd_id                       PRD_001217 
_pdbx_reference_molecule.name                         "N-[(2S,3S)-7-AMINO-1-CHLORO-2-HYDROXYHEPTAN-3-YL]-4-METHYLBENZENESULFONAMIDE (BOUND FORM)" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C14 H23 Cl N2 O3 S" 
_pdbx_reference_molecule.formula_weight               334.862 
_pdbx_reference_molecule.chem_comp_id                 2OY 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4NSV 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001217 
_pdbx_reference_entity_subcomponents.seq            "TSU LYJ 0QE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2OY 
# 
_pdbx_reference_entity_list.prd_id          PRD_001217 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001217 1 1 C1 0QE 3 C LYJ 2 sing 1 ? ? ? 
PRD_001217 1 2 N  LYJ 2 S TSU 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001217 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001217 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001217 1 1 TSU ? N Y 
PRD_001217 1 2 LYJ ? N Y 
PRD_001217 1 3 0QE ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001217 2014-01-10 RCSB "Create molecule"    
PRD_001217 2014-04-23 RCSB "Initial release"    
PRD_001217 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001218
# 
_pdbx_reference_molecule.prd_id                       PRD_001218 
_pdbx_reference_molecule.name                         Dityromycin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C67 H88 N10 O16" 
_pdbx_reference_molecule.formula_weight               1289.473 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "DITYROMYCIN IS A PEPTIDE ANTIBIOTIC ISOLATED FROM THE CULTURE BROTH OF THE SOIL MICROORGANISM, STREPTOMYCES SP. STRAIN NO. AM-2504, SHOWING ACTIVITIES AGAINST BACILLUS, CORYNEBACTERIUM, AND CLOSTRIDIUM." 
_pdbx_reference_molecule.description                  "DITYROMYCIN WAS CLARIFIED TO BE COMPOSED OF N-MEVAL, PRO, VAL, PHENYLGLYCINE, CH3NH2, N,N-ME2THR AND DI-ALPHA-AMINO ACID CONTAINING DIPHENYLETHER MOIETY." 
_pdbx_reference_molecule.representative_PDB_id_code   4NVU 
# 
_pdbx_reference_entity_list.prd_id          PRD_001218 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         Dityromycin 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001218 1 1  C   2QZ 1 N  VAL 2  sing 1 ? ? ? 
PRD_001218 1 2  OG1 2QZ 1 C  2QY 10 sing 1 ? ? ? 
PRD_001218 1 3  C   VAL 2 N  004 3  sing 1 ? ? ? 
PRD_001218 1 4  C   004 3 N  PRO 4  sing 1 ? ? ? 
PRD_001218 1 5  C   PRO 4 N  MVA 5  sing 1 ? ? ? 
PRD_001218 1 6  C   MVA 5 N  2R1 6  sing 1 ? ? ? 
PRD_001218 1 7  C   2R1 6 N  PRO 7  sing 1 ? ? ? 
PRD_001218 1 8  C   PRO 7 N  2R3 8  sing 1 ? ? ? 
PRD_001218 1 9  C   2R3 8 N  MVA 9  sing 1 ? ? ? 
PRD_001218 1 10 CE2 2R3 8 OH 2QY 10 sing 1 ? ? ? 
PRD_001218 1 11 C   MVA 9 N  2QY 10 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001218 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001218 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001218 1 1  2QZ THR N Y 
PRD_001218 1 2  VAL VAL N Y 
PRD_001218 1 3  004 ?   N Y 
PRD_001218 1 4  PRO PRO N Y 
PRD_001218 1 5  MVA VAL N Y 
PRD_001218 1 6  2R1 ?   N Y 
PRD_001218 1 7  PRO PRO N Y 
PRD_001218 1 8  2R3 TYR N Y 
PRD_001218 1 9  MVA VAL N Y 
PRD_001218 1 10 2QY ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001218 2014-01-10 RCSB "Create molecule" 
PRD_001218 2014-04-02 RCSB "Initial release" 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001218 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1931 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces sp." 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
data_PRD_001219
# 
_pdbx_reference_molecule.prd_id                       PRD_001219 
_pdbx_reference_molecule.name                         "Lantibiotic 107891" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C94 H127 Cl N26 O26 S5" 
_pdbx_reference_molecule.formula_weight               2232.951 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "NAI-107 (LANTIBIOTIC 107891)  IS A GLOBULAR TYPE B LANTIBIOTIC. THE LANTIBIOTICS ARE CHARACTERIZED BY THIOETHER AMINO ACIDS LANTHIONINE AND/OR METHYLLANTHIONINE. HERE, NAI-107 IS REPRESENTED BY THE SEQUENCE (SEQRES)" 
_pdbx_reference_molecule.description                  "NAI-107 IS A TETRACYCLIC PEPTIDE. POST TRANSLATIONAL MATURATION OF LANTIBIOTICS INVOLVES THE ENZYMIC CONVERSION OF THR, AND SER INTO DEHYDRATED AA AND THE FORMATION OF THIOETHER BONDS WITH CYSTEINE. THE CARBOXY-TERMINAL BETA-METHYLLANTHIONINE UNDERGOES DECARBOXYLATION. THIOETHER BONDS WITH CYSTEINE RESULT IN FOUR RINGS. THIS IS FOLLOWED BY MEMBRANE TRANSLOCATION AND CLEAVAGE OF THE MODIFIED PRECURSOR." 
_pdbx_reference_molecule.representative_PDB_id_code   2MH5 
# 
_pdbx_reference_entity_list.prd_id          PRD_001219 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001219 1 1  C  VAL 1  N  DBU 2  sing 1 ? ? ? 
PRD_001219 1 2  C  DBU 2  N  DAL 3  sing 1 ? ? ? 
PRD_001219 1 3  CB DAL 3  SG CYS 7  sing 1 ? ? ? 
PRD_001219 1 4  C  DAL 3  N  5CW 4  sing 1 ? ? ? 
PRD_001219 1 5  C  5CW 4  N  DHA 5  sing 1 ? ? ? 
PRD_001219 1 6  C  DHA 5  N  LEU 6  sing 1 ? ? ? 
PRD_001219 1 7  C  LEU 6  N  CYS 7  sing 1 ? ? ? 
PRD_001219 1 8  C  CYS 7  N  DBB 8  sing 1 ? ? ? 
PRD_001219 1 9  C  DBB 8  N  PRO 9  sing 1 ? ? ? 
PRD_001219 1 10 CB DBB 8  SG CYS 11 sing 1 ? ? ? 
PRD_001219 1 11 C  PRO 9  N  GLY 10 sing 1 ? ? ? 
PRD_001219 1 12 C  GLY 10 N  CYS 11 sing 1 ? ? ? 
PRD_001219 1 13 C  CYS 11 N  THR 12 sing 1 ? ? ? 
PRD_001219 1 14 C  THR 12 N  DAL 13 sing 1 ? ? ? 
PRD_001219 1 15 CB DAL 13 SG CYS 20 sing 1 ? ? ? 
PRD_001219 1 16 C  DAL 13 N  HYP 14 sing 1 ? ? ? 
PRD_001219 1 17 C  HYP 14 N  GLY 15 sing 1 ? ? ? 
PRD_001219 1 18 C  GLY 15 N  GLY 16 sing 1 ? ? ? 
PRD_001219 1 19 C  GLY 16 N  GLY 17 sing 1 ? ? ? 
PRD_001219 1 20 C  GLY 17 N  DAL 18 sing 1 ? ? ? 
PRD_001219 1 21 CB DAL 18 SG CYS 23 sing 1 ? ? ? 
PRD_001219 1 22 C  DAL 18 N  ASN 19 sing 1 ? ? ? 
PRD_001219 1 23 C  ASN 19 N  CYS 20 sing 1 ? ? ? 
PRD_001219 1 24 C  CYS 20 N  DAL 21 sing 1 ? ? ? 
PRD_001219 1 25 CB DAL 21 SG TEE 24 sing 1 ? ? ? 
PRD_001219 1 26 C  DAL 21 N  PHE 22 sing 1 ? ? ? 
PRD_001219 1 27 C  PHE 22 N  CYS 23 sing 1 ? ? ? 
PRD_001219 1 28 C  CYS 23 N  TEE 24 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001219 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         P85065 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001219 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001219 1 1  VAL VAL N Y 
PRD_001219 1 2  DBU THR N Y 
PRD_001219 1 3  DAL ?   N Y 
PRD_001219 1 4  5CW TRP N Y 
PRD_001219 1 5  DHA SER N Y 
PRD_001219 1 6  LEU LEU N Y 
PRD_001219 1 7  CYS CYS N Y 
PRD_001219 1 8  DBB ?   N Y 
PRD_001219 1 9  PRO PRO N Y 
PRD_001219 1 10 GLY GLY N Y 
PRD_001219 1 11 CYS CYS N Y 
PRD_001219 1 12 THR THR N Y 
PRD_001219 1 13 DAL ?   N Y 
PRD_001219 1 14 HYP PRO N Y 
PRD_001219 1 15 GLY GLY N Y 
PRD_001219 1 16 GLY GLY N Y 
PRD_001219 1 17 GLY GLY N Y 
PRD_001219 1 18 DAL ?   N Y 
PRD_001219 1 19 ASN ASN N Y 
PRD_001219 1 20 CYS CYS N Y 
PRD_001219 1 21 DAL ?   N Y 
PRD_001219 1 22 PHE PHE N Y 
PRD_001219 1 23 CYS CYS N Y 
PRD_001219 1 24 TEE ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001219 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 415003 
_pdbx_reference_entity_src_nat.organism_scientific   Microbispora 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               P85065 
_pdbx_reference_entity_src_nat.db_name               UNP 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001219 2014-01-15 RCSB "Create molecule" 
PRD_001219 2014-03-05 RCSB "Initial release" 
# 
data_PRD_001220
# 
_pdbx_reference_molecule.prd_id                       PRD_001220 
_pdbx_reference_molecule.name                         "meta-guanidinomethyl-phenylacetyl-Arg-Val-Arg-(amidomethyl)benzamidine" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H57 N15 O4" 
_pdbx_reference_molecule.formula_weight               751.925 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4OMC 
# 
_pdbx_reference_entity_list.prd_id          PRD_001220 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001220 1 1 C2 2UC 1 N   ARG 2 sing 1 ? ? ? 
PRD_001220 1 2 C  ARG 2 N   VAL 3 sing 1 ? ? ? 
PRD_001220 1 3 C  VAL 3 N   ARG 4 sing 1 ? ? ? 
PRD_001220 1 4 C  ARG 4 N23 00S 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001220 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001220 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001220 1 1 2UC ?   N Y 
PRD_001220 1 2 ARG ARG N Y 
PRD_001220 1 3 VAL VAL N Y 
PRD_001220 1 4 ARG ARG N Y 
PRD_001220 1 5 00S ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001220 2014-02-07 RCSB "Create molecule" 
PRD_001220 2014-04-09 RCSB "Initial release" 
# 
data_PRD_001221
# 
_pdbx_reference_molecule.prd_id                       PRD_001221 
_pdbx_reference_molecule.name                         "phenylacetyl-Arg-Val-Arg-(amidomethyl)benzamidine" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C33 H52 N12 O4" 
_pdbx_reference_molecule.formula_weight               680.844 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4OMD 
# 
_pdbx_reference_entity_list.prd_id          PRD_001221 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001221 1 1 C HY1 1 N   ARG 2 sing 1 ? ? ? 
PRD_001221 1 2 C ARG 2 N   VAL 3 sing 1 ? ? ? 
PRD_001221 1 3 C VAL 3 N   ARG 4 sing 1 ? ? ? 
PRD_001221 1 4 C ARG 4 N23 00S 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001221 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001221 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001221 1 1 HY1 ?   N Y 
PRD_001221 1 2 ARG ARG N Y 
PRD_001221 1 3 VAL VAL N Y 
PRD_001221 1 4 ARG ARG N Y 
PRD_001221 1 5 00S ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001221 2014-02-07 RCSB "Create molecule" 
PRD_001221 2014-04-09 RCSB "Initial release" 
# 
data_PRD_001222
# 
_pdbx_reference_molecule.prd_id                       PRD_001222 
_pdbx_reference_molecule.name                         "bicyclic peptide UK601 (bicyclic 1)" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C59 H101 N24 O17 S4" 
_pdbx_reference_molecule.formula_weight               1546.844 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4OS1 
# 
_pdbx_reference_entity_list.prd_id          PRD_001222 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001222 1 1  C   GLY 1  N  81S 2  sing 1 ? ? ? 
PRD_001222 1 2  SE  81S 2  SG CYS 8  sing 1 ? ? ? 
PRD_001222 1 3  SD2 81S 2  SG CYS 13 sing 1 ? ? ? 
PRD_001222 1 4  C   81S 2  N  ALA 3  sing 1 ? ? ? 
PRD_001222 1 5  C   ALA 3  N  LEU 4  sing 1 ? ? ? 
PRD_001222 1 6  C   LEU 4  N  GLY 5  sing 1 ? ? ? 
PRD_001222 1 7  C   GLY 5  N  ARG 6  sing 1 ? ? ? 
PRD_001222 1 8  C   ARG 6  N  GLY 7  sing 1 ? ? ? 
PRD_001222 1 9  C   GLY 7  N  CYS 8  sing 1 ? ? ? 
PRD_001222 1 10 C   CYS 8  N  GLU 9  sing 1 ? ? ? 
PRD_001222 1 11 C   GLU 9  N  ASN 10 sing 1 ? ? ? 
PRD_001222 1 12 C   ASN 10 N  HIS 11 sing 1 ? ? ? 
PRD_001222 1 13 C   HIS 11 N  ARG 12 sing 1 ? ? ? 
PRD_001222 1 14 C   ARG 12 N  CYS 13 sing 1 ? ? ? 
PRD_001222 1 15 C   CYS 13 N  LEU 14 sing 1 ? ? ? 
PRD_001222 1 16 C   LEU 14 N  NH2 15 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001222 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001222 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001222 1 1  GLY GLY N Y 
PRD_001222 1 2  81S ?   N Y 
PRD_001222 1 3  ALA ALA N Y 
PRD_001222 1 4  LEU LEU N Y 
PRD_001222 1 5  GLY GLY N Y 
PRD_001222 1 6  ARG ARG N Y 
PRD_001222 1 7  GLY GLY N Y 
PRD_001222 1 8  CYS CYS N Y 
PRD_001222 1 9  GLU GLU N Y 
PRD_001222 1 10 ASN ASN N Y 
PRD_001222 1 11 HIS HIS N Y 
PRD_001222 1 12 ARG ARG N Y 
PRD_001222 1 13 CYS CYS N Y 
PRD_001222 1 14 LEU LEU N Y 
PRD_001222 1 15 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001222 2014-02-19 RCSB "Create molecule" 
PRD_001222 2014-09-24 RCSB "Initial release" 
# 
data_PRD_001223
# 
_pdbx_reference_molecule.prd_id                       PRD_001223 
_pdbx_reference_molecule.name                         "bicyclic peptide UK602 (bicyclic 1)" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C56 H96 N23 O16 S4" 
_pdbx_reference_molecule.formula_weight               1475.766 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4OS2 
# 
_pdbx_reference_entity_list.prd_id          PRD_001223 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001223 1 1  C   GLY 1  N  81S 2  sing 1 ? ? ? 
PRD_001223 1 2  SE  81S 2  SG CYS 7  sing 1 ? ? ? 
PRD_001223 1 3  SD2 81S 2  SG CYS 12 sing 1 ? ? ? 
PRD_001223 1 4  C   81S 2  N  LEU 3  sing 1 ? ? ? 
PRD_001223 1 5  C   LEU 3  N  GLY 4  sing 1 ? ? ? 
PRD_001223 1 6  C   GLY 4  N  ARG 5  sing 1 ? ? ? 
PRD_001223 1 7  C   ARG 5  N  GLY 6  sing 1 ? ? ? 
PRD_001223 1 8  C   GLY 6  N  CYS 7  sing 1 ? ? ? 
PRD_001223 1 9  C   CYS 7  N  GLU 8  sing 1 ? ? ? 
PRD_001223 1 10 C   GLU 8  N  ASN 9  sing 1 ? ? ? 
PRD_001223 1 11 C   ASN 9  N  HIS 10 sing 1 ? ? ? 
PRD_001223 1 12 C   HIS 10 N  ARG 11 sing 1 ? ? ? 
PRD_001223 1 13 C   ARG 11 N  CYS 12 sing 1 ? ? ? 
PRD_001223 1 14 C   CYS 12 N  LEU 13 sing 1 ? ? ? 
PRD_001223 1 15 C   LEU 13 N  NH2 14 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001223 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001223 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001223 1 1  GLY GLY N Y 
PRD_001223 1 2  81S ?   N Y 
PRD_001223 1 3  LEU LEU N Y 
PRD_001223 1 4  GLY GLY N Y 
PRD_001223 1 5  ARG ARG N Y 
PRD_001223 1 6  GLY GLY N Y 
PRD_001223 1 7  CYS CYS N Y 
PRD_001223 1 8  GLU GLU N Y 
PRD_001223 1 9  ASN ASN N Y 
PRD_001223 1 10 HIS HIS N Y 
PRD_001223 1 11 ARG ARG N Y 
PRD_001223 1 12 CYS CYS N Y 
PRD_001223 1 13 LEU LEU N Y 
PRD_001223 1 14 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001223 2014-02-19 RCSB "Create molecule" 
PRD_001223 2014-09-24 RCSB "Initial release" 
# 
data_PRD_001224
# 
_pdbx_reference_molecule.prd_id                       PRD_001224 
_pdbx_reference_molecule.name                         "bicyclic peptide UK603 (bicyclic 1)" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C59 H101 N24 O17 S4" 
_pdbx_reference_molecule.formula_weight               1546.844 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4OS4 
# 
_pdbx_reference_entity_list.prd_id          PRD_001224 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001224 1 1  C   GLY 1  N  81R 2  sing 1 ? ? ? 
PRD_001224 1 2  SE  81R 2  SG CYS 8  sing 1 ? ? ? 
PRD_001224 1 3  SD2 81R 2  SG CYS 13 sing 1 ? ? ? 
PRD_001224 1 4  C   81R 2  N  ALA 3  sing 1 ? ? ? 
PRD_001224 1 5  C   ALA 3  N  LEU 4  sing 1 ? ? ? 
PRD_001224 1 6  C   LEU 4  N  GLY 5  sing 1 ? ? ? 
PRD_001224 1 7  C   GLY 5  N  ARG 6  sing 1 ? ? ? 
PRD_001224 1 8  C   ARG 6  N  GLY 7  sing 1 ? ? ? 
PRD_001224 1 9  C   GLY 7  N  CYS 8  sing 1 ? ? ? 
PRD_001224 1 10 C   CYS 8  N  GLU 9  sing 1 ? ? ? 
PRD_001224 1 11 C   GLU 9  N  ASN 10 sing 1 ? ? ? 
PRD_001224 1 12 C   ASN 10 N  HIS 11 sing 1 ? ? ? 
PRD_001224 1 13 C   HIS 11 N  ARG 12 sing 1 ? ? ? 
PRD_001224 1 14 C   ARG 12 N  CYS 13 sing 1 ? ? ? 
PRD_001224 1 15 C   CYS 13 N  LEU 14 sing 1 ? ? ? 
PRD_001224 1 16 C   LEU 14 N  NH2 15 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001224 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001224 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001224 1 1  GLY GLY N Y 
PRD_001224 1 2  81R ?   N Y 
PRD_001224 1 3  ALA ALA N Y 
PRD_001224 1 4  LEU LEU N Y 
PRD_001224 1 5  GLY GLY N Y 
PRD_001224 1 6  ARG ARG N Y 
PRD_001224 1 7  GLY GLY N Y 
PRD_001224 1 8  CYS CYS N Y 
PRD_001224 1 9  GLU GLU N Y 
PRD_001224 1 10 ASN ASN N Y 
PRD_001224 1 11 HIS HIS N Y 
PRD_001224 1 12 ARG ARG N Y 
PRD_001224 1 13 CYS CYS N Y 
PRD_001224 1 14 LEU LEU N Y 
PRD_001224 1 15 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001224 2014-02-19 RCSB "Create molecule" 
PRD_001224 2014-09-24 RCSB "Initial release" 
# 
data_PRD_001225
# 
_pdbx_reference_molecule.prd_id                       PRD_001225 
_pdbx_reference_molecule.name                         "bicyclic peptide UK604 (bicyclic 2)" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C56 H96 N23 O16 S4" 
_pdbx_reference_molecule.formula_weight               1475.766 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4OS6 
# 
_pdbx_reference_entity_list.prd_id          PRD_001225 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001225 1 1  C   GLY 1  N  81R 2  sing 1 ? ? ? 
PRD_001225 1 2  SE  81R 2  SG CYS 12 sing 1 ? ? ? 
PRD_001225 1 3  SD2 81R 2  SG CYS 7  sing 1 ? ? ? 
PRD_001225 1 4  C   81R 2  N  LEU 3  sing 1 ? ? ? 
PRD_001225 1 5  C   LEU 3  N  GLY 4  sing 1 ? ? ? 
PRD_001225 1 6  C   GLY 4  N  ARG 5  sing 1 ? ? ? 
PRD_001225 1 7  C   ARG 5  N  GLY 6  sing 1 ? ? ? 
PRD_001225 1 8  C   GLY 6  N  CYS 7  sing 1 ? ? ? 
PRD_001225 1 9  C   CYS 7  N  GLU 8  sing 1 ? ? ? 
PRD_001225 1 10 C   GLU 8  N  ASN 9  sing 1 ? ? ? 
PRD_001225 1 11 C   ASN 9  N  HIS 10 sing 1 ? ? ? 
PRD_001225 1 12 C   HIS 10 N  ARG 11 sing 1 ? ? ? 
PRD_001225 1 13 C   ARG 11 N  CYS 12 sing 1 ? ? ? 
PRD_001225 1 14 C   CYS 12 N  LEU 13 sing 1 ? ? ? 
PRD_001225 1 15 C   LEU 13 N  NH2 14 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001225 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001225 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001225 1 1  GLY GLY N Y 
PRD_001225 1 2  81R ?   N Y 
PRD_001225 1 3  LEU LEU N Y 
PRD_001225 1 4  GLY GLY N Y 
PRD_001225 1 5  ARG ARG N Y 
PRD_001225 1 6  GLY GLY N Y 
PRD_001225 1 7  CYS CYS N Y 
PRD_001225 1 8  GLU GLU N Y 
PRD_001225 1 9  ASN ASN N Y 
PRD_001225 1 10 HIS HIS N Y 
PRD_001225 1 11 ARG ARG N Y 
PRD_001225 1 12 CYS CYS N Y 
PRD_001225 1 13 LEU LEU N Y 
PRD_001225 1 14 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001225 2014-02-19 RCSB "Create molecule" 
PRD_001225 2014-09-24 RCSB "Initial release" 
# 
data_PRD_001226
# 
_pdbx_reference_molecule.prd_id                       PRD_001226 
_pdbx_reference_molecule.name                         "bicyclic peptide UK607 (bicyclic)" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C64 H110 N25 O18 S4" 
_pdbx_reference_molecule.formula_weight               1645.975 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4OS7 
# 
_pdbx_reference_entity_list.prd_id          PRD_001226 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001226 1 1  C   GLY 1  N  823 2  sing 1 ? ? ? 
PRD_001226 1 2  C   823 2  N  ALA 3  sing 1 ? ? ? 
PRD_001226 1 3  ST2 823 2  SG CYS 8  sing 1 ? ? ? 
PRD_001226 1 4  ST  823 2  SG CYS 13 sing 1 ? ? ? 
PRD_001226 1 5  C   ALA 3  N  LEU 4  sing 1 ? ? ? 
PRD_001226 1 6  C   LEU 4  N  GLY 5  sing 1 ? ? ? 
PRD_001226 1 7  C   GLY 5  N  ARG 6  sing 1 ? ? ? 
PRD_001226 1 8  C   ARG 6  N  GLY 7  sing 1 ? ? ? 
PRD_001226 1 9  C   GLY 7  N  CYS 8  sing 1 ? ? ? 
PRD_001226 1 10 C   CYS 8  N  GLU 9  sing 1 ? ? ? 
PRD_001226 1 11 C   GLU 9  N  ASN 10 sing 1 ? ? ? 
PRD_001226 1 12 C   ASN 10 N  HIS 11 sing 1 ? ? ? 
PRD_001226 1 13 C   HIS 11 N  ARG 12 sing 1 ? ? ? 
PRD_001226 1 14 C   ARG 12 N  CYS 13 sing 1 ? ? ? 
PRD_001226 1 15 C   CYS 13 N  LEU 14 sing 1 ? ? ? 
PRD_001226 1 16 C   LEU 14 N  NH2 15 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001226 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001226 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001226 1 1  GLY GLY N Y 
PRD_001226 1 2  823 ASN N Y 
PRD_001226 1 3  ALA ALA N Y 
PRD_001226 1 4  LEU LEU N Y 
PRD_001226 1 5  GLY GLY N Y 
PRD_001226 1 6  ARG ARG N Y 
PRD_001226 1 7  GLY GLY N Y 
PRD_001226 1 8  CYS CYS N Y 
PRD_001226 1 9  GLU GLU N Y 
PRD_001226 1 10 ASN ASN N Y 
PRD_001226 1 11 HIS HIS N Y 
PRD_001226 1 12 ARG ARG N Y 
PRD_001226 1 13 CYS CYS N Y 
PRD_001226 1 14 LEU LEU N Y 
PRD_001226 1 15 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001226 2014-02-19 RCSB "Create molecule" 
PRD_001226 2014-09-24 RCSB "Initial release" 
# 
data_PRD_001227
# 
_pdbx_reference_molecule.prd_id                       PRD_001227 
_pdbx_reference_molecule.name                         "bicyclic peptide UK603 (bicyclic 2)" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C59 H101 N24 O17 S4" 
_pdbx_reference_molecule.formula_weight               1546.844 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4OS5 
# 
_pdbx_reference_entity_list.prd_id          PRD_001227 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001227 1 1  C   GLY 1  N  81R 2  sing 1 ? ? ? 
PRD_001227 1 2  SE  81R 2  SG CYS 13 sing 1 ? ? ? 
PRD_001227 1 3  SD2 81R 2  SG CYS 8  sing 1 ? ? ? 
PRD_001227 1 4  C   81R 2  N  ALA 3  sing 1 ? ? ? 
PRD_001227 1 5  C   ALA 3  N  LEU 4  sing 1 ? ? ? 
PRD_001227 1 6  C   LEU 4  N  GLY 5  sing 1 ? ? ? 
PRD_001227 1 7  C   GLY 5  N  ARG 6  sing 1 ? ? ? 
PRD_001227 1 8  C   ARG 6  N  GLY 7  sing 1 ? ? ? 
PRD_001227 1 9  C   GLY 7  N  CYS 8  sing 1 ? ? ? 
PRD_001227 1 10 C   CYS 8  N  GLU 9  sing 1 ? ? ? 
PRD_001227 1 11 C   GLU 9  N  ASN 10 sing 1 ? ? ? 
PRD_001227 1 12 C   ASN 10 N  HIS 11 sing 1 ? ? ? 
PRD_001227 1 13 C   HIS 11 N  ARG 12 sing 1 ? ? ? 
PRD_001227 1 14 C   ARG 12 N  CYS 13 sing 1 ? ? ? 
PRD_001227 1 15 C   CYS 13 N  LEU 14 sing 1 ? ? ? 
PRD_001227 1 16 C   LEU 14 N  NH2 15 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001227 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001227 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001227 1 1  GLY GLY N Y 
PRD_001227 1 2  81R ?   N Y 
PRD_001227 1 3  ALA ALA N Y 
PRD_001227 1 4  LEU LEU N Y 
PRD_001227 1 5  GLY GLY N Y 
PRD_001227 1 6  ARG ARG N Y 
PRD_001227 1 7  GLY GLY N Y 
PRD_001227 1 8  CYS CYS N Y 
PRD_001227 1 9  GLU GLU N Y 
PRD_001227 1 10 ASN ASN N Y 
PRD_001227 1 11 HIS HIS N Y 
PRD_001227 1 12 ARG ARG N Y 
PRD_001227 1 13 CYS CYS N Y 
PRD_001227 1 14 LEU LEU N Y 
PRD_001227 1 15 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001227 2014-02-19 RCSB "Create molecule" 
PRD_001227 2014-09-24 RCSB "Initial release" 
# 
data_PRD_001229
# 
_pdbx_reference_molecule.prd_id                       PRD_001229 
_pdbx_reference_molecule.name                         "anti-CmABCB1 peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C100 H139 N24 O26 S" 
_pdbx_reference_molecule.formula_weight               2125.384 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3WMG 
# 
_pdbx_reference_entity_list.prd_id          PRD_001229 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001229 1 1  C   ACE 1  N  DTR 2  sing 1 ? ? ? 
PRD_001229 1 2  CH3 ACE 1  SG CYS 18 sing 1 ? ? ? 
PRD_001229 1 3  C   DTR 2  N  LEU 3  sing 1 ? ? ? 
PRD_001229 1 4  C   LEU 3  N  ASP 4  sing 1 ? ? ? 
PRD_001229 1 5  C   ASP 4  N  GLN 5  sing 1 ? ? ? 
PRD_001229 1 6  C   GLN 5  N  ILE 6  sing 1 ? ? ? 
PRD_001229 1 7  C   ILE 6  N  VAL 7  sing 1 ? ? ? 
PRD_001229 1 8  C   VAL 7  N  TRP 8  sing 1 ? ? ? 
PRD_001229 1 9  C   TRP 8  N  PHE 9  sing 1 ? ? ? 
PRD_001229 1 10 C   PHE 9  N  ASN 10 sing 1 ? ? ? 
PRD_001229 1 11 C   ASN 10 N  ALA 11 sing 1 ? ? ? 
PRD_001229 1 12 C   ALA 11 N  PRO 12 sing 1 ? ? ? 
PRD_001229 1 13 C   PRO 12 N  GLY 13 sing 1 ? ? ? 
PRD_001229 1 14 C   GLY 13 N  ASP 14 sing 1 ? ? ? 
PRD_001229 1 15 C   ASP 14 N  LEU 15 sing 1 ? ? ? 
PRD_001229 1 16 C   LEU 15 N  HIS 16 sing 1 ? ? ? 
PRD_001229 1 17 C   HIS 16 N  LEU 17 sing 1 ? ? ? 
PRD_001229 1 18 C   LEU 17 N  CYS 18 sing 1 ? ? ? 
PRD_001229 1 19 C   CYS 18 N  GLY 19 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001229 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001229 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001229 1 1  ACE ?   N Y 
PRD_001229 1 2  DTR ?   N Y 
PRD_001229 1 3  LEU LEU N Y 
PRD_001229 1 4  ASP ASP N Y 
PRD_001229 1 5  GLN GLN N Y 
PRD_001229 1 6  ILE ILE N Y 
PRD_001229 1 7  VAL VAL N Y 
PRD_001229 1 8  TRP TRP N Y 
PRD_001229 1 9  PHE PHE N Y 
PRD_001229 1 10 ASN ASN N Y 
PRD_001229 1 11 ALA ALA N Y 
PRD_001229 1 12 PRO PRO N Y 
PRD_001229 1 13 GLY GLY N Y 
PRD_001229 1 14 ASP ASP N Y 
PRD_001229 1 15 LEU LEU N Y 
PRD_001229 1 16 HIS HIS N Y 
PRD_001229 1 17 LEU LEU N Y 
PRD_001229 1 18 CYS CYS N Y 
PRD_001229 1 19 GLY GLY N N 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001229 2014-04-21 PDBJ "Create molecule" 
PRD_001229 2014-04-30 RCSB "Initial release" 
# 
data_PRD_001230
# 
_pdbx_reference_molecule.prd_id                       PRD_001230 
_pdbx_reference_molecule.name                         D-VAL-LEU-LYS-chloromethylketone 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H37 Cl N4 O3" 
_pdbx_reference_molecule.formula_weight               392.964 
_pdbx_reference_molecule.chem_comp_id                 2YS 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4Q80 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001230 
_pdbx_reference_entity_subcomponents.seq            "DVA LEU LYK 0QE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2YS 
# 
_pdbx_reference_entity_list.prd_id          PRD_001230 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001230 1 1 C1 0QE 4 C14 LYK 3 sing 1 ? ? ? 
PRD_001230 1 2 C  LEU 2 N7  LYK 3 sing 1 ? ? ? 
PRD_001230 1 3 N  LEU 2 C   DVA 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001230 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001230 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001230 1 1 DVA VAL N Y 
PRD_001230 1 2 LEU LEU N Y 
PRD_001230 1 3 LYK LYS N Y 
PRD_001230 1 4 0QE ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001230 2014-04-29 RCSB "Create molecule"    
PRD_001230 2014-09-03 RCSB "Initial release"    
PRD_001230 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001231
# 
_pdbx_reference_molecule.prd_id                       PRD_001231 
_pdbx_reference_molecule.name                         PHE-PHE-ARG-chloromethylketone 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H35 Cl N6 O3" 
_pdbx_reference_molecule.formula_weight               503.037 
_pdbx_reference_molecule.chem_comp_id                 2YT 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4Q7Z 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001231 
_pdbx_reference_entity_subcomponents.seq            "PHE PHE AR7 0QE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   2YT 
# 
_pdbx_reference_entity_list.prd_id          PRD_001231 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001231 1 1 C  PHE 1 N   PHE 2 sing 1 ? ? ? 
PRD_001231 1 2 C  PHE 2 N21 AR7 3 sing 1 ? ? ? 
PRD_001231 1 3 C1 0QE 4 C30 AR7 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001231 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001231 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001231 1 1 PHE PHE N Y 
PRD_001231 1 2 PHE PHE N Y 
PRD_001231 1 3 AR7 ARG N Y 
PRD_001231 1 4 0QE ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001231 2014-04-29 RCSB "Create molecule"    
PRD_001231 2014-09-03 RCSB "Initial release"    
PRD_001231 2017-05-04 RCSB "Other modification" 
PRD_001231 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001232
# 
_pdbx_reference_molecule.prd_id                       PRD_001232 
_pdbx_reference_molecule.name                         "Alpha-conotoxin ImI mutant" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Toxin 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C54 H84 N20 O15 S4" 
_pdbx_reference_molecule.formula_weight               1381.630 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2MOA 
# 
_pdbx_reference_entity_list.prd_id          PRD_001232 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001232 1 1  C   GLY 1  N  81S 2  sing 1 ? ? ? 
PRD_001232 1 2  SE  81S 2  SG CYS 8  sing 1 ? ? ? 
PRD_001232 1 3  SD2 81S 2  SG CYS 12 sing 1 ? ? ? 
PRD_001232 1 4  C   81S 2  N  ALA 3  sing 1 ? ? ? 
PRD_001232 1 5  C   ALA 3  N  SER 4  sing 1 ? ? ? 
PRD_001232 1 6  C   SER 4  N  ASP 5  sing 1 ? ? ? 
PRD_001232 1 7  C   ASP 5  N  PRO 6  sing 1 ? ? ? 
PRD_001232 1 8  C   PRO 6  N  ARG 7  sing 1 ? ? ? 
PRD_001232 1 9  C   ARG 7  N  CYS 8  sing 1 ? ? ? 
PRD_001232 1 10 C   CYS 8  N  ALA 9  sing 1 ? ? ? 
PRD_001232 1 11 C   ALA 9  N  TRP 10 sing 1 ? ? ? 
PRD_001232 1 12 C   TRP 10 N  ARG 11 sing 1 ? ? ? 
PRD_001232 1 13 C   ARG 11 N  CYS 12 sing 1 ? ? ? 
PRD_001232 1 14 C   CYS 12 N  NH2 13 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001232 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         P50983 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001232 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001232 1 1  GLY GLY N Y 
PRD_001232 1 2  81S ?   N Y 
PRD_001232 1 3  ALA ALA N Y 
PRD_001232 1 4  SER SER N Y 
PRD_001232 1 5  ASP ASP N Y 
PRD_001232 1 6  PRO PRO N Y 
PRD_001232 1 7  ARG ARG N Y 
PRD_001232 1 8  CYS CYS N Y 
PRD_001232 1 9  ALA ALA N Y 
PRD_001232 1 10 TRP TRP N Y 
PRD_001232 1 11 ARG ARG N Y 
PRD_001232 1 12 CYS CYS N Y 
PRD_001232 1 13 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001232 2014-04-29 RCSB "Create molecule" 
PRD_001232 2014-09-24 RCSB "Initial release" 
# 
data_PRD_001233
# 
_pdbx_reference_molecule.prd_id                       PRD_001233 
_pdbx_reference_molecule.name                         cyclic-tris-phenylselenazole 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H30 N6 O3 Se3" 
_pdbx_reference_molecule.formula_weight               831.542 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4Q9L 
# 
_pdbx_reference_entity_list.prd_id          PRD_001233 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001233 1 1 C   30F 1 N   PHE 2 sing 1 ? ? ? 
PRD_001233 1 2 SE2 30F 1 C   PHE 6 sing 1 ? ? ? 
PRD_001233 1 3 N   30F 1 C   PHE 6 doub 1 ? ? ? 
PRD_001233 1 4 C   PHE 2 SE2 30F 3 sing 1 ? ? ? 
PRD_001233 1 5 C   PHE 2 N   30F 3 doub 1 ? ? ? 
PRD_001233 1 6 C   30F 3 N   PHE 4 sing 1 ? ? ? 
PRD_001233 1 7 C   PHE 4 N   30F 5 doub 1 ? ? ? 
PRD_001233 1 8 C   PHE 4 SE2 30F 5 sing 1 ? ? ? 
PRD_001233 1 9 C   30F 5 N   PHE 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001233 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001233 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001233 1 1 30F SEC N Y 
PRD_001233 1 2 PHE PHE N Y 
PRD_001233 1 3 30F SEC N Y 
PRD_001233 1 4 PHE PHE N Y 
PRD_001233 1 5 30F SEC N Y 
PRD_001233 1 6 PHE PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001233 2014-05-07 RCSB "Create molecule"    
PRD_001233 2015-03-04 RCSB "Initial release"    
PRD_001233 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001234
# 
_pdbx_reference_molecule.prd_id                       PRD_001234 
_pdbx_reference_molecule.name                         cyclic-tris-leucylselenazole 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H36 N6 O3 Se3" 
_pdbx_reference_molecule.formula_weight               729.493 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4Q9K 
# 
_pdbx_reference_entity_list.prd_id          PRD_001234 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001234 1 1 C   30F 1 N   LEU 2 sing 1 ? ? ? 
PRD_001234 1 2 SE2 30F 1 C   LEU 6 sing 1 ? ? ? 
PRD_001234 1 3 N   30F 1 C   LEU 6 doub 1 ? ? ? 
PRD_001234 1 4 C   LEU 2 N   30F 3 doub 1 ? ? ? 
PRD_001234 1 5 C   LEU 2 SE2 30F 3 sing 1 ? ? ? 
PRD_001234 1 6 C   30F 3 N   LEU 4 sing 1 ? ? ? 
PRD_001234 1 7 C   LEU 4 N   30F 5 doub 1 ? ? ? 
PRD_001234 1 8 C   LEU 4 SE2 30F 5 sing 1 ? ? ? 
PRD_001234 1 9 C   30F 5 N   LEU 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001234 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001234 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001234 1 1 30F SEC N Y 
PRD_001234 1 2 LEU LEU N Y 
PRD_001234 1 3 30F SEC N Y 
PRD_001234 1 4 LEU LEU N Y 
PRD_001234 1 5 30F SEC N Y 
PRD_001234 1 6 LEU LEU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001234 2014-05-07 RCSB "Create molecule"    
PRD_001234 2015-03-04 RCSB "Initial release"    
PRD_001234 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001235
# 
_pdbx_reference_molecule.prd_id                       PRD_001235 
_pdbx_reference_molecule.name                         cyclic-tris-valinylselenazole 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H30 N6 O3 Se3" 
_pdbx_reference_molecule.formula_weight               687.413 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4Q9J 
# 
_pdbx_reference_entity_list.prd_id          PRD_001235 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001235 1 1 C   30F 1 N   VAL 2 sing 1 ? ? ? 
PRD_001235 1 2 SE2 30F 1 C   VAL 6 sing 1 ? ? ? 
PRD_001235 1 3 N   30F 1 C   VAL 6 doub 1 ? ? ? 
PRD_001235 1 4 C   VAL 2 N   30F 3 doub 1 ? ? ? 
PRD_001235 1 5 C   VAL 2 SE2 30F 3 sing 1 ? ? ? 
PRD_001235 1 6 C   30F 3 N   VAL 4 sing 1 ? ? ? 
PRD_001235 1 7 C   VAL 4 SE2 30F 5 sing 1 ? ? ? 
PRD_001235 1 8 C   VAL 4 N   30F 5 doub 1 ? ? ? 
PRD_001235 1 9 C   30F 5 N   VAL 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001235 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001235 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001235 1 1 30F SEC N Y 
PRD_001235 1 2 VAL VAL N Y 
PRD_001235 1 3 30F SEC N Y 
PRD_001235 1 4 VAL VAL N Y 
PRD_001235 1 5 30F SEC N Y 
PRD_001235 1 6 VAL VAL N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001235 2014-05-07 RCSB "Create molecule"    
PRD_001235 2015-03-04 RCSB "Initial release"    
PRD_001235 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001236
# 
_pdbx_reference_molecule.prd_id                       PRD_001236 
_pdbx_reference_molecule.name                         cyclic-tris-alanylselenazole 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H18 N6 O3 Se3" 
_pdbx_reference_molecule.formula_weight               603.254 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4Q9I 
# 
_pdbx_reference_entity_list.prd_id          PRD_001236 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001236 1 1 C   30F 1 N   ALA 2 sing 1 ? ? ? 
PRD_001236 1 2 SE2 30F 1 C   ALA 6 sing 1 ? ? ? 
PRD_001236 1 3 N   30F 1 C   ALA 6 doub 1 ? ? ? 
PRD_001236 1 4 C   ALA 2 SE2 30F 3 sing 1 ? ? ? 
PRD_001236 1 5 C   ALA 2 N   30F 3 doub 1 ? ? ? 
PRD_001236 1 6 C   30F 3 N   ALA 4 sing 1 ? ? ? 
PRD_001236 1 7 C   ALA 4 SE2 30F 5 sing 1 ? ? ? 
PRD_001236 1 8 C   ALA 4 N   30F 5 doub 1 ? ? ? 
PRD_001236 1 9 C   30F 5 N   ALA 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001236 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001236 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001236 1 1 30F SEC N Y 
PRD_001236 1 2 ALA ALA N Y 
PRD_001236 1 3 30F SEC N Y 
PRD_001236 1 4 ALA ALA N Y 
PRD_001236 1 5 30F SEC N Y 
PRD_001236 1 6 ALA ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001236 2014-05-08 RCSB "Create molecule"    
PRD_001236 2015-03-04 RCSB "Initial release"    
PRD_001236 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001237
# 
_pdbx_reference_molecule.prd_id                       PRD_001237 
_pdbx_reference_molecule.name                         BOC-ALA-ALA-ALA-CHO 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C14 H27 N3 O5" 
_pdbx_reference_molecule.formula_weight               317.381 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4QBY 
# 
_pdbx_reference_entity_list.prd_id          PRD_001237 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001237 1 1 C BOC 1 N ALA 2 sing 1 ? ? ? 
PRD_001237 1 2 C ALA 2 N ALA 3 sing 1 ? ? ? 
PRD_001237 1 3 C ALA 3 N 2A1 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001237 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001237 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001237 1 1 BOC ?   N Y 
PRD_001237 1 2 ALA ALA N Y 
PRD_001237 1 3 ALA ALA N Y 
PRD_001237 1 4 2A1 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001237 2014-05-13 RCSB "Create molecule"    
PRD_001237 2014-06-12 RCSB "Other modification" 
PRD_001237 2014-06-18 RCSB "Initial release"    
PRD_001237 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001238
# 
_pdbx_reference_molecule.prd_id                       PRD_001238 
_pdbx_reference_molecule.name                         "PEPSTATIN ANALOGUE ISOVALERYL-VAL-VAL-STA-O-ET" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H47 N3 O6" 
_pdbx_reference_molecule.formula_weight               485.657 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1APU 
# 
_pdbx_reference_entity_list.prd_id          PRD_001238 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001238 1 1 N VAL 2 C IVA 1 sing 1 ? ? ? 
PRD_001238 1 2 N VAL 3 C VAL 2 sing 1 ? ? ? 
PRD_001238 1 3 N 32L 4 C VAL 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001238 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001238 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001238 1 1 IVA ?   N Y 
PRD_001238 1 2 VAL VAL N Y 
PRD_001238 1 3 VAL VAL N Y 
PRD_001238 1 4 32L ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001238 2014-05-27 RCSB "Create molecule"    
PRD_001238 2014-06-04 RCSB "Initial release"    
PRD_001238 2017-05-04 RCSB "Other modification" 
# 
data_PRD_001241
# 
_pdbx_reference_molecule.prd_id                       PRD_001241 
_pdbx_reference_molecule.name                         "(BOC)LPA(B27) PEPTIDE" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H42 N4 O6 S" 
_pdbx_reference_molecule.formula_weight               502.668 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2RUI 
# 
_pdbx_reference_entity_list.prd_id          PRD_001241 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "(BOC)LPA(B27) PEPTIDE" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001241 1 1 C BOC 1 N LEU 2 sing 1 ? ? ? 
PRD_001241 1 2 C LEU 2 N PRO 3 sing 1 ? ? ? 
PRD_001241 1 3 C PRO 3 N ALA 4 sing 1 ? ? ? 
PRD_001241 1 4 C ALA 4 N B27 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001241 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001241 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001241 1 1 BOC ?   N Y 
PRD_001241 1 2 LEU LEU N Y 
PRD_001241 1 3 PRO PRO N Y 
PRD_001241 1 4 ALA ALA N Y 
PRD_001241 1 5 B27 THR N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001241 2014-07-09 PDBJ "Create molecule" 
PRD_001241 2015-09-09 RCSB "Initial release" 
# 
data_PRD_001243
# 
_pdbx_reference_molecule.prd_id                       PRD_001243 
_pdbx_reference_molecule.name                         "CARFILZOMIB, bound form" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C40 H61 N5 O7" 
_pdbx_reference_molecule.formula_weight               723.942 
_pdbx_reference_molecule.chem_comp_id                 3BV 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4QW5 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001243 
_pdbx_reference_entity_subcomponents.seq            "00E HPE LEU PHE 05W" 
_pdbx_reference_entity_subcomponents.chem_comp_id   3BV 
# 
_pdbx_reference_entity_list.prd_id          PRD_001243 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001243 1 1 C 00E 1 N HPE 2 sing 1 ? ? ? 
PRD_001243 1 2 C HPE 2 N LEU 3 sing 1 ? ? ? 
PRD_001243 1 3 C LEU 3 N PHE 4 sing 1 ? ? ? 
PRD_001243 1 4 C PHE 4 N 05W 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001243 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001243 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001243 1 1 00E ?   N Y 
PRD_001243 1 2 HPE PHE N Y 
PRD_001243 1 3 LEU LEU N Y 
PRD_001243 1 4 PHE PHE N Y 
PRD_001243 1 5 05W ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001243 2014-07-24 RCSB "Create molecule"    
PRD_001243 2015-02-04 RCSB "Initial release"    
PRD_001243 2017-09-14 RCSB "Other modification" 
PRD_001243 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001244
# 
_pdbx_reference_molecule.prd_id                       PRD_001244 
_pdbx_reference_molecule.name                         "N-[(BENZYLOXY)CARBONYL]-L-LEUCYL-N-{(2S,3S)-1-[(2,4-DIMETHYLPHENYL)AMINO]-2-HYDROXY-5-METHYL-1-OXOHEXAN-3-YL}-L-LEUCINAMIDE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H52 N4 O6" 
_pdbx_reference_molecule.formula_weight               624.811 
_pdbx_reference_molecule.chem_comp_id                 3E5 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4R02 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001244 
_pdbx_reference_entity_subcomponents.seq            "PHQ LEU LEU 3E3" 
_pdbx_reference_entity_subcomponents.chem_comp_id   3E5 
# 
_pdbx_reference_entity_list.prd_id          PRD_001244 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001244 1 1 N1 3E3 4 C   LEU 3 sing 1 ? ? ? 
PRD_001244 1 2 N  LEU 3 C   LEU 2 sing 1 ? ? ? 
PRD_001244 1 3 N  LEU 2 C27 PHQ 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001244 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001244 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001244 1 1 PHQ ?   N Y 
PRD_001244 1 2 LEU LEU N Y 
PRD_001244 1 3 LEU LEU N Y 
PRD_001244 1 4 3E3 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001244 2014-08-06 RCSB "Create molecule"    
PRD_001244 2014-08-13 RCSB "Initial release"    
PRD_001244 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001251
# 
_pdbx_reference_molecule.prd_id                       PRD_001251 
_pdbx_reference_molecule.name                         ACE-PHE-ALA-THR-ALA-0QE 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H31 Cl N4 O6" 
_pdbx_reference_molecule.formula_weight               482.958 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4QNZ 
# 
_pdbx_reference_entity_list.prd_id          PRD_001251 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001251 1 1 C ACE 1 N  PHE 2 sing 1 ? ? ? 
PRD_001251 1 2 C PHE 2 N  ALA 3 sing 1 ? ? ? 
PRD_001251 1 3 C ALA 3 N  THR 4 sing 1 ? ? ? 
PRD_001251 1 4 C THR 4 N  ALA 5 sing 1 ? ? ? 
PRD_001251 1 5 C ALA 5 C1 0QE 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001251 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001251 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001251 1 1 ACE ?   N Y 
PRD_001251 1 2 PHE PHE N Y 
PRD_001251 1 3 ALA ALA N Y 
PRD_001251 1 4 THR THR N Y 
PRD_001251 1 5 ALA ALA N Y 
PRD_001251 1 6 0QE ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001251 2014-09-02 RCSB "Create molecule" 
PRD_001251 2014-09-24 RCSB "Initial release" 
# 
data_PRD_001252
# 
_pdbx_reference_molecule.prd_id                       PRD_001252 
_pdbx_reference_molecule.name                         ACE-ILE-ALA-THR-ALA-0QE 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C19 H33 Cl N4 O6" 
_pdbx_reference_molecule.formula_weight               448.942 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4QO2 
# 
_pdbx_reference_entity_list.prd_id          PRD_001252 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001252 1 1 C ACE 1 N  ILE 2 sing 1 ? ? ? 
PRD_001252 1 2 C ILE 2 N  ALA 3 sing 1 ? ? ? 
PRD_001252 1 3 C ALA 3 N  THR 4 sing 1 ? ? ? 
PRD_001252 1 4 C THR 4 N  ALA 5 sing 1 ? ? ? 
PRD_001252 1 5 C ALA 5 C1 0QE 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001252 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001252 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001252 1 1 ACE ?   N Y 
PRD_001252 1 2 ILE ILE N Y 
PRD_001252 1 3 ALA ALA N Y 
PRD_001252 1 4 THR THR N Y 
PRD_001252 1 5 ALA ALA N Y 
PRD_001252 1 6 0QE ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001252 2014-09-02 RCSB "Create molecule" 
PRD_001252 2014-09-24 RCSB "Initial release" 
# 
data_PRD_001254
# 
_pdbx_reference_molecule.prd_id                       PRD_001254 
_pdbx_reference_molecule.name                         PL-2 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H45 N6 O9 P" 
_pdbx_reference_molecule.formula_weight               652.676 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4RCP 
# 
_pdbx_reference_entity_list.prd_id          PRD_001254 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001254 1 1 C ACE 1 N 56A 2 sing 1 ? ? ? 
PRD_001254 1 2 C 56A 2 N SER 3 sing 1 ? ? ? 
PRD_001254 1 3 C SER 3 N TPO 4 sing 1 ? ? ? 
PRD_001254 1 4 C TPO 4 N NH2 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001254 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001254 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001254 1 1 ACE ?   N Y 
PRD_001254 1 2 56A HIS N Y 
PRD_001254 1 3 SER SER N Y 
PRD_001254 1 4 TPO THR N Y 
PRD_001254 1 5 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001254 2014-11-09 RCSB "Create molecule" 
PRD_001254 2014-11-19 RCSB "Initial release" 
# 
data_PRD_001255
# 
_pdbx_reference_molecule.prd_id                       PRD_001255 
_pdbx_reference_molecule.name                         "Promothiocin A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Thiopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H47 N11 O8 S2" 
_pdbx_reference_molecule.formula_weight               825.957 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2MBZ 
# 
_pdbx_reference_entity_list.prd_id          PRD_001255 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "PEPTIDE LIKE SEQUENCE  RESIDUES 1 TO 12" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001255 1 1  CA SER 1  C   MOZ 9  sing 1 ? ? ? 
PRD_001255 1 2  C  SER 1  N   BB9 2  sing 1 ? ? ? 
PRD_001255 1 3  C  SER 1  SG  BB9 2  sing 1 ? ? ? 
PRD_001255 1 4  CB SER 1  CAE NAK 10 sing 1 ? ? ? 
PRD_001255 1 5  C  BB9 2  N   VAL 3  sing 1 ? ? ? 
PRD_001255 1 6  C  VAL 3  N   GLY 4  sing 1 ? ? ? 
PRD_001255 1 7  C  GLY 4  N   MOZ 5  sing 1 ? ? ? 
PRD_001255 1 8  C  GLY 4  OG  MOZ 5  sing 1 ? ? ? 
PRD_001255 1 9  C  MOZ 5  N   ALA 6  sing 1 ? ? ? 
PRD_001255 1 10 C  ALA 6  SG  BB9 7  sing 1 ? ? ? 
PRD_001255 1 11 C  ALA 6  N   BB9 7  sing 1 ? ? ? 
PRD_001255 1 12 C  BB9 7  N   ALA 8  sing 1 ? ? ? 
PRD_001255 1 13 C  ALA 8  OG  MOZ 9  sing 1 ? ? ? 
PRD_001255 1 14 C  ALA 8  N   MOZ 9  sing 1 ? ? ? 
PRD_001255 1 15 C  MOZ 9  N   NAK 10 sing 1 ? ? ? 
PRD_001255 1 16 C  NAK 10 N   ALA 11 sing 1 ? ? ? 
PRD_001255 1 17 C  ALA 11 N   NH2 12 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001255 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001255 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001255 1 1  SER SER N Y 
PRD_001255 1 2  BB9 CYS N Y 
PRD_001255 1 3  VAL VAL N Y 
PRD_001255 1 4  GLY GLY N Y 
PRD_001255 1 5  MOZ ?   N Y 
PRD_001255 1 6  ALA ALA N Y 
PRD_001255 1 7  BB9 CYS N Y 
PRD_001255 1 8  ALA ALA N Y 
PRD_001255 1 9  MOZ ?   N Y 
PRD_001255 1 10 NAK ?   N Y 
PRD_001255 1 11 ALA ALA N Y 
PRD_001255 1 12 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001255 2014-12-01 PDBJ "Create molecule"    
PRD_001255 2014-12-10 RCSB "Initial release"    
PRD_001255 2023-11-03 PDBE "Other modification" 
# 
data_PRD_001256
# 
_pdbx_reference_molecule.prd_id                       PRD_001256 
_pdbx_reference_molecule.name                         "bifunctional peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Unknown 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C39 H43 N5 O5" 
_pdbx_reference_molecule.formula_weight               661.789 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4RWA 
# 
_pdbx_reference_entity_list.prd_id          PRD_001256 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001256 1 1 C DI7 1 N DI8 2 sing 1 ? ? ? 
PRD_001256 1 2 C DI8 2 N PHE 3 sing 1 ? ? ? 
PRD_001256 1 3 C PHE 3 N PHE 4 sing 1 ? ? ? 
PRD_001256 1 4 C PHE 4 N NH2 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001256 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001256 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001256 1 1 DI7 TYR N Y 
PRD_001256 1 2 DI8 ?   N Y 
PRD_001256 1 3 PHE PHE N Y 
PRD_001256 1 4 PHE PHE N Y 
PRD_001256 1 5 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001256 2014-12-10 RCSB "Create molecule" 
PRD_001256 2015-01-14 RCSB "Initial release" 
# 
data_PRD_001257
# 
_pdbx_reference_molecule.prd_id                       PRD_001257 
_pdbx_reference_molecule.name                         "para-guanidinomethyl-phenylacetyl-Arg-(3-methylvaline)-Arg-(amidomethyl)benzamidine" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H59 N15 O4" 
_pdbx_reference_molecule.formula_weight               765.952 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4RYD 
# 
_pdbx_reference_entity_list.prd_id          PRD_001257 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001257 1 1 C2 2UE 1 N   ARG 2 sing 1 ? ? ? 
PRD_001257 1 2 C  ARG 2 N   TBG 3 sing 1 ? ? ? 
PRD_001257 1 3 C  TBG 3 N   ARG 4 sing 1 ? ? ? 
PRD_001257 1 4 C  ARG 4 N23 00S 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001257 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001257 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001257 1 1 2UE ?   N Y 
PRD_001257 1 2 ARG ARG N Y 
PRD_001257 1 3 TBG VAL N Y 
PRD_001257 1 4 ARG ARG N Y 
PRD_001257 1 5 00S ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001257 2014-12-17 RCSB "Create molecule" 
PRD_001257 2015-05-27 RCSB "Initial release" 
PRD_001257 2015-06-22 RCSB "Modify sequence" 
# 
data_PRD_001258
# 
_pdbx_reference_molecule.prd_id                       PRD_001258 
_pdbx_reference_molecule.name                         "N-[4-({[(6S)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GAMMA-GLUTAMYL-L-GAMMA-GLUTAMYL-L-GLUTAMIC ACID" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Unknown 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H37 N9 O12" 
_pdbx_reference_molecule.formula_weight               703.657 
_pdbx_reference_molecule.chem_comp_id                 39S 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4QQU 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001258 
_pdbx_reference_entity_subcomponents.seq            "40Q GGL GGL GLU" 
_pdbx_reference_entity_subcomponents.chem_comp_id   39S 
# 
_pdbx_reference_entity_list.prd_id          PRD_001258 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001258 1 1 C12 40Q 1 N  GGL 2 sing 1 ? ? ? 
PRD_001258 1 2 CD  GGL 3 N  GLU 4 sing 1 ? ? ? 
PRD_001258 1 3 N   GGL 3 CD GGL 2 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001258 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001258 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001258 1 1 40Q ?   N Y 
PRD_001258 1 2 GGL ?   N Y 
PRD_001258 1 3 GGL ?   N Y 
PRD_001258 1 4 GLU GLU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001258 2015-01-06 RCSB "Create molecule"    
PRD_001258 2015-01-14 RCSB "Initial release"    
PRD_001258 2017-09-14 RCSB "Other modification" 
# 
data_PRD_001259
# 
_pdbx_reference_molecule.prd_id                       PRD_001259 
_pdbx_reference_molecule.name                         "acyclic trypsin inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Trypsin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C67 H108 N18 O19 S2" 
_pdbx_reference_molecule.formula_weight               1533.814 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1JBN 
# 
_pdbx_reference_entity_list.prd_id          PRD_001259 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001259 1 1  C  GLY 1  N  ARG 2  sing 1 ? ? ? 
PRD_001259 1 2  C  ARG 2  N  CYS 3  sing 1 ? ? ? 
PRD_001259 1 3  C  CYS 3  N  THR 4  sing 1 ? ? ? 
PRD_001259 1 4  SG CYS 3  SG CYS 11 sing 1 ? ? ? 
PRD_001259 1 5  C  THR 4  N  LYS 5  sing 1 ? ? ? 
PRD_001259 1 6  C  LYS 5  N  SER 6  sing 1 ? ? ? 
PRD_001259 1 7  C  SER 6  N  ILE 7  sing 1 ? ? ? 
PRD_001259 1 8  C  ILE 7  N  PRO 8  sing 1 ? ? ? 
PRD_001259 1 9  C  PRO 8  N  PRO 9  sing 1 ? ? ? 
PRD_001259 1 10 C  PRO 9  N  ILE 10 sing 1 ? ? ? 
PRD_001259 1 11 C  ILE 10 N  CYS 11 sing 1 ? ? ? 
PRD_001259 1 12 C  CYS 11 N  PHE 12 sing 1 ? ? ? 
PRD_001259 1 13 C  PHE 12 N  PRO 13 sing 1 ? ? ? 
PRD_001259 1 14 C  PRO 13 N  ASP 14 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001259 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         Q4GWU5 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001259 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001259 1 1  GLY GLY N Y 
PRD_001259 1 2  ARG ARG N Y 
PRD_001259 1 3  CYS CYS N Y 
PRD_001259 1 4  THR THR N Y 
PRD_001259 1 5  LYS LYS N Y 
PRD_001259 1 6  SER SER N Y 
PRD_001259 1 7  ILE ILE N Y 
PRD_001259 1 8  PRO PRO N Y 
PRD_001259 1 9  PRO PRO N Y 
PRD_001259 1 10 ILE ILE N Y 
PRD_001259 1 11 CYS CYS N Y 
PRD_001259 1 12 PHE PHE N Y 
PRD_001259 1 13 PRO PRO N Y 
PRD_001259 1 14 ASP ASP N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001259 2015-12-25 PDBJ "Create molecule" 
PRD_001259 2016-01-13 RCSB "Initial release" 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001259 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 4232 
_pdbx_reference_entity_src_nat.organism_scientific   "Helianthus annuus" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
data_PRD_001260
# 
_pdbx_reference_molecule.prd_id                       PRD_001260 
_pdbx_reference_molecule.name                         "PAMK PEPTIDE Inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C48 H80 N12 O15" 
_pdbx_reference_molecule.formula_weight               1065.220 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5FC3 
# 
_pdbx_reference_entity_list.prd_id          PRD_001260 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         Peptide 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001260 1 1 C ASP 1 N LYS 2 sing 1 ? ? ? 
PRD_001260 1 2 C LYS 2 N SER 3 sing 1 ? ? ? 
PRD_001260 1 3 C SER 3 N ILE 4 sing 1 ? ? ? 
PRD_001260 1 4 C ILE 4 N GLU 5 sing 1 ? ? ? 
PRD_001260 1 5 C GLU 5 N VAL 6 sing 1 ? ? ? 
PRD_001260 1 6 C VAL 6 N GLY 7 sing 1 ? ? ? 
PRD_001260 1 7 C GLY 7 N ARG 8 sing 1 ? ? ? 
PRD_001260 1 8 C ARG 8 C 6L3 9 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001260 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001260 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001260 1 1 ASP ASP N N 
PRD_001260 1 2 LYS LYS N N 
PRD_001260 1 3 SER SER N N 
PRD_001260 1 4 ILE ILE N N 
PRD_001260 1 5 GLU GLU N Y 
PRD_001260 1 6 VAL VAL N Y 
PRD_001260 1 7 GLY GLY N Y 
PRD_001260 1 8 ARG ARG N Y 
PRD_001260 1 9 6L3 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001260 2016-04-26 RCSB "Create molecule" 
PRD_001260 2016-05-04 RCSB "Initial release" 
# 
data_PRD_002042
# 
_pdbx_reference_molecule.prd_id                       PRD_002042 
_pdbx_reference_molecule.name                         "(5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H27 N6 O3" 
_pdbx_reference_molecule.formula_weight               399.467 
_pdbx_reference_molecule.chem_comp_id                 4I4 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "P2- substituted N-acyl-prolylpyrrolidine inhibitor" 
_pdbx_reference_molecule.representative_PDB_id_code   4BCB 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002042 
_pdbx_reference_entity_subcomponents.seq            "CLT 04U 04V" 
_pdbx_reference_entity_subcomponents.chem_comp_id   4I4 
# 
_pdbx_reference_entity_list.prd_id          PRD_002042 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002042 1 1 CB2 CLT 1 N 04U 2 SING 1 ? ? ? 
PRD_002042 1 2 C   04U 2 N 04V 3 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002042 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002042 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002042 1 1 CLT .   N Y 
PRD_002042 1 2 04U PRO N Y 
PRD_002042 1 3 04V PRO N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002042 2013-03-28 PDBE "Create molecule" 
PRD_002042 2013-05-29 RCSB "Initial release" 
# 
data_PRD_002043
# 
_pdbx_reference_molecule.prd_id                       PRD_002043 
_pdbx_reference_molecule.name                         Goblin1 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C34 H60 N8 O12" 
_pdbx_reference_molecule.formula_weight               772.887 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4CDR 
# 
_pdbx_reference_entity_list.prd_id          PRD_002043 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002043 1 1 C ACE 1 N VAL 2 sing 1 ? ? ? 
PRD_002043 1 2 C VAL 2 N THR 3 sing 1 ? ? ? 
PRD_002043 1 3 C THR 3 N PRO 4 sing 1 ? ? ? 
PRD_002043 1 4 C PRO 4 N VAL 5 sing 1 ? ? ? 
PRD_002043 1 5 C VAL 5 N SRZ 6 sing 1 ? ? ? 
PRD_002043 1 6 C SRZ 6 N THR 7 sing 1 ? ? ? 
PRD_002043 1 7 C THR 7 N ALA 8 sing 1 ? ? ? 
PRD_002043 1 8 C ALA 8 N NH2 9 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002043 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002043 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002043 1 1 ACE .   N Y 
PRD_002043 1 2 VAL VAL N Y 
PRD_002043 1 3 THR THR N Y 
PRD_002043 1 4 PRO PRO N Y 
PRD_002043 1 5 VAL VAL N Y 
PRD_002043 1 6 SRZ SER N Y 
PRD_002043 1 7 THR THR N Y 
PRD_002043 1 8 ALA ALA N Y 
PRD_002043 1 9 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002043 2013-11-07 PDBE "Create molecule"    
PRD_002043 2013-12-04 RCSB "Initial release"    
PRD_002043 2022-10-29 RCSB "Other modification" 
# 
data_PRD_002048
# 
_pdbx_reference_molecule.prd_id                       PRD_002048 
_pdbx_reference_molecule.name                         PERINDOPRILAT 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C17 H28 N2 O5" 
_pdbx_reference_molecule.formula_weight               340.415 
_pdbx_reference_molecule.chem_comp_id                 X94 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2X94 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002048 
_pdbx_reference_entity_subcomponents.seq            "LEA ALA OIC" 
_pdbx_reference_entity_subcomponents.chem_comp_id   X94 
# 
_pdbx_reference_entity_list.prd_id          PRD_002048 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002048 1 1 C3 LEA 1 N ALA 2 SING 1 ? ? ? 
PRD_002048 1 3 C  ALA 2 N OIC 3 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002048 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002048 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002048 1 1 LEA .   N Y 
PRD_002048 1 2 ALA ALA N Y 
PRD_002048 1 3 OIC .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002048 2013-04-04 PDBE "Create molecule" 
PRD_002048 2013-05-29 RCSB "Initial release" 
# 
data_PRD_002050
# 
_pdbx_reference_molecule.prd_id                       PRD_002050 
_pdbx_reference_molecule.name                         "N~2~-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-D-tryptophan" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H34 N4 O5" 
_pdbx_reference_molecule.formula_weight               494.583 
_pdbx_reference_molecule.chem_comp_id                 X95 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "AnCE-Lisinopril-Tryptophan analogue" 
_pdbx_reference_molecule.representative_PDB_id_code   2X95 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002050 
_pdbx_reference_entity_subcomponents.seq            "CLT LYS TRP" 
_pdbx_reference_entity_subcomponents.chem_comp_id   X95 
# 
_pdbx_reference_entity_list.prd_id          PRD_002050 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002050 1 1 CA CLT 1 N LYS 2 SING 1 ? ? ? 
PRD_002050 1 2 C  LYS 2 N TRP 3 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002050 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002050 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002050 1 1 CLT .   N Y 
PRD_002050 1 2 LYS LYS N Y 
PRD_002050 1 3 TRP TRP N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002050 2013-04-04 PDBE "Create molecule" 
PRD_002050 2013-05-29 RCSB "Initial release" 
# 
data_PRD_002070
# 
_pdbx_reference_molecule.prd_id                       PRD_002070 
_pdbx_reference_molecule.name                         "Tert-butyl N-[[1-[(3S,5S)-5-[(2S)-2-[azanyl(oxidanyl)methyl]pyrrolidin-1-yl]carbonyl-1-(4-phenylbutanoyl)pyrrolidin-3-yl]-1,2,3-triazol-4-yl]methyl]carbamate" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H41 N7 O5" 
_pdbx_reference_molecule.formula_weight               555.669 
_pdbx_reference_molecule.chem_comp_id                 JKT 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "P2- substituted N-acyl-prolylpyrrolidine inhibitor" 
_pdbx_reference_molecule.representative_PDB_id_code   4BCC 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002070 
_pdbx_reference_entity_subcomponents.seq            "CLT VH0 BOC V8W" 
_pdbx_reference_entity_subcomponents.chem_comp_id   JKT 
# 
_pdbx_reference_entity_list.prd_id          PRD_002070 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002070 1 1 CB2 CLT 1 N11 VH0 2 SING 1 ? ? ? 
PRD_002070 1 2 C8  VH0 2 N7  V8W 4 SING 1 ? ? ? 
PRD_002070 1 3 N32 VH0 2 C   BOC 3 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002070 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002070 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002070 1 1 CLT .   N Y 
PRD_002070 1 2 VH0 PRO N Y 
PRD_002070 1 3 BOC .   N Y 
PRD_002070 1 4 V8W .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002070 2013-04-29 PDBE "Create molecule" 
PRD_002070 2013-05-29 RCSB "Initial release" 
# 
data_PRD_002071
# 
_pdbx_reference_molecule.prd_id                       PRD_002071 
_pdbx_reference_molecule.name                         '"1-[(2S,4S)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-pyrrolidin-1-ylcarbonyl-pyrrolidin-1-yl]-4-phenyl-butan-1-one"' 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H30 F N5 O2" 
_pdbx_reference_molecule.formula_weight               475.558 
_pdbx_reference_molecule.chem_comp_id                 TDV 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Derivative compound of SUAM-1221" 
_pdbx_reference_molecule.description                  "P2-substituted N-acyl-prolylpyrrolidine inhibitor" 
_pdbx_reference_molecule.representative_PDB_id_code   4BCD 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002071 
_pdbx_reference_entity_subcomponents.seq            "CLT RT0 VES" 
_pdbx_reference_entity_subcomponents.chem_comp_id   TDV 
# 
_pdbx_reference_entity_list.prd_id          PRD_002071 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002071 1 1 CB2 CLT 1 N9 RT0 2 SING 1 ? ? ? 
PRD_002071 1 2 C6  RT0 2 N5 VES 3 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002071 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002071 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002071 1 1 CLT .   N Y 
PRD_002071 1 2 RT0 PRO N Y 
PRD_002071 1 3 VES .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002071 2013-04-29 PDBE "Create molecule" 
PRD_002071 2013-05-29 RCSB "Initial release" 
# 
data_PRD_002076
# 
_pdbx_reference_molecule.prd_id                       PRD_002076 
_pdbx_reference_molecule.name                         RAMIPRILAT 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H28 N2 O5" 
_pdbx_reference_molecule.formula_weight               388.457 
_pdbx_reference_molecule.chem_comp_id                 X92 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Angiotensin converting enzyme (ACE) inhibitor" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2X92 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002076 
_pdbx_reference_entity_subcomponents.seq            "CLT ALA XBG" 
_pdbx_reference_entity_subcomponents.chem_comp_id   X92 
# 
_pdbx_reference_entity_list.prd_id          PRD_002076 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002076 1 1 CA CLT 1 N   ALA 2 SING 1 ? ? ? 
PRD_002076 1 2 C  ALA 2 NBB XBG 3 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002076 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002076 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002076 1 1 CLT .   N Y 
PRD_002076 1 2 ALA ALA N Y 
PRD_002076 1 3 XBG .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002076 2013-05-15 PDBE "Create molecule" 
PRD_002076 2013-05-29 RCSB "Initial release" 
# 
data_PRD_002077
# 
_pdbx_reference_molecule.prd_id                       PRD_002077 
_pdbx_reference_molecule.name                         TRANDOLAPRILAT 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H30 N2 O5" 
_pdbx_reference_molecule.formula_weight               402.484 
_pdbx_reference_molecule.chem_comp_id                 X93 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Angiotensin converting enzyme (ACE) inhibitor" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   2X93 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002077 
_pdbx_reference_entity_subcomponents.seq            "CLT ALA Q42" 
_pdbx_reference_entity_subcomponents.chem_comp_id   X93 
# 
_pdbx_reference_entity_list.prd_id          PRD_002077 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002077 1 1 CA CLT 1 N ALA 2 SING 1 ? ? ? 
PRD_002077 1 2 C  ALA 2 N Q42 3 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002077 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002077 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002077 1 1 CLT .   N Y 
PRD_002077 1 2 ALA ALA N Y 
PRD_002077 1 3 Q42 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002077 2013-05-15 PDBE "Create molecule" 
PRD_002077 2013-05-29 RCSB "Initial release" 
PRD_002077 2018-03-13 PDBE "Modify sequence" 
# 
data_PRD_002086
# 
_pdbx_reference_molecule.prd_id                       PRD_002086 
_pdbx_reference_molecule.name                         ACE-TYR-VAL-ALA-ASP-CHLOROMETHYLKETONE 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H34 N4 O8" 
_pdbx_reference_molecule.formula_weight               506.549 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4AW9 
# 
_pdbx_reference_entity_list.prd_id          PRD_002086 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002086 1 1 C ACE 1 N  TYR 2 sing 1 ? ? ? 
PRD_002086 1 2 C TYR 2 N  VAL 3 sing 1 ? ? ? 
PRD_002086 1 3 C VAL 3 N  ALA 4 sing 1 ? ? ? 
PRD_002086 1 4 C ALA 4 N  ASP 5 sing 1 ? ? ? 
PRD_002086 1 5 C ASP 5 C1 0QE 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002086 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002086 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002086 1 1 ACE .   N Y 
PRD_002086 1 2 TYR TYR N Y 
PRD_002086 1 3 VAL VAL N Y 
PRD_002086 1 4 ALA ALA N Y 
PRD_002086 1 5 ASP ASP N Y 
PRD_002086 1 6 0QE .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002086 2013-06-18 PDBE "Create molecule"    
PRD_002086 2013-10-02 RCSB "Initial release"    
PRD_002086 2022-10-29 RCSB "Other modification" 
# 
data_PRD_002087
# 
_pdbx_reference_molecule.prd_id                       PRD_002087 
_pdbx_reference_molecule.name                         Z-ALA-ALA-AZAASN-CHLOROMETHYLKETONE 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H25 N5 O6" 
_pdbx_reference_molecule.formula_weight               407.421 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4AWB 
# 
_pdbx_reference_entity_list.prd_id          PRD_002087 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002087 1 1 C1 PHQ 1 N  ALA 2 sing 1 ? ? ? 
PRD_002087 1 2 C  ALA 2 N  ALA 3 sing 1 ? ? ? 
PRD_002087 1 3 C  ALA 3 N  ZSN 4 sing 1 ? ? ? 
PRD_002087 1 4 C  ZSN 4 C1 0QE 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002087 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002087 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002087 1 1 PHQ .   N Y 
PRD_002087 1 2 ALA ALA N Y 
PRD_002087 1 3 ALA ALA N Y 
PRD_002087 1 4 ZSN .   N Y 
PRD_002087 1 5 0QE .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002087 2013-06-18 PDBE "Create molecule"    
PRD_002087 2013-10-02 RCSB "Initial release"    
PRD_002087 2013-10-02 RCSB "Other modification" 
# 
data_PRD_002089
# 
_pdbx_reference_molecule.prd_id                       PRD_002089 
_pdbx_reference_molecule.name                         TEICOPLANIN-A2-2 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Glycopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C88 H97 Cl2 N9 O33" 
_pdbx_reference_molecule.formula_weight               1879.658 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "TEICOPLANIN IS A FAMILY OF TETRACYCLIC GLYCOPEPTIDE ANTIBIOTICS. THE SCAFFOLD IS A HEPTAPEPTIDE FURTHER GLYCOSYLATED BY THREE MONO SACCHARIDES: MANNOSE, N-ACETYLGLUCOSAMINE AND BETA-D-GLUCOSAMINE AND ONLY DIFFER BY THE SIDE CHAIN ATTACHED TO THE LATTER. TEICOPLANIN A2-2 HAS 8-METHYLNONANOIC ACID ATTACHED TO GLUCOSAMINE." 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4PJZ 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002089 1 1 polymer     .   
PRD_002089 2 2 non-polymer GCS 
PRD_002089 3 3 non-polymer T55 
PRD_002089 4 4 non-polymer NAG 
PRD_002089 5 5 non-polymer MAN 
# 
loop_
_pdbx_reference_entity_nonpoly.prd_id 
_pdbx_reference_entity_nonpoly.ref_entity_id 
_pdbx_reference_entity_nonpoly.name 
_pdbx_reference_entity_nonpoly.chem_comp_id 
_pdbx_reference_entity_nonpoly.details 
PRD_002089 2 D-GLUCOSAMINE           GCS ? 
PRD_002089 3 "8-METHYLNONANOIC ACID" T55 ? 
PRD_002089 4 N-ACETYL-D-GLUCOSAMINE  NAG ? 
PRD_002089 5 ALPHA-D-MANNOSE         MAN ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_002089 1 PN 1 4 GHP O4  2 . GCS C1 sing 1 2 . ? ? 
PRD_002089 2 PN 1 6 OMY ODE 4 . NAG C1 sing 1 4 . ? ? 
PRD_002089 3 PN 1 7 3FG OD1 5 . MAN C1 sing 1 5 . ? ? 
PRD_002089 4 NN 2 . GCS N2  3 . T55 C  sing 2 3 . ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002089 1 1  C   GHP 1 N   3MY 2 sing 1 ? ? ? 
PRD_002089 1 2  C3  GHP 1 OD1 3FG 3 sing 1 ? ? ? 
PRD_002089 1 3  OBD 3MY 2 C3  GHP 4 sing 1 ? ? ? 
PRD_002089 1 4  C   3MY 2 N   3FG 3 sing 1 ? ? ? 
PRD_002089 1 5  C   3FG 3 N   GHP 4 sing 1 ? ? ? 
PRD_002089 1 6  C   GHP 4 N   GHP 5 sing 1 ? ? ? 
PRD_002089 1 7  C5  GHP 4 OCZ OMY 6 sing 1 ? ? ? 
PRD_002089 1 8  C   GHP 5 N   OMY 6 sing 1 ? ? ? 
PRD_002089 1 9  C3  GHP 5 CG1 3FG 7 sing 1 ? ? ? 
PRD_002089 1 10 C   OMY 6 N   3FG 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002089 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002089 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002089 1 1 GHP .   N Y 
PRD_002089 1 2 3MY TYR N Y 
PRD_002089 1 3 3FG .   N Y 
PRD_002089 1 4 GHP .   N Y 
PRD_002089 1 5 GHP .   N Y 
PRD_002089 1 6 OMY TYR N Y 
PRD_002089 1 7 3FG .   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_002089 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1867 
_pdbx_reference_entity_src_nat.organism_scientific   "Actinoplanes teichomyceticus" 
_pdbx_reference_entity_src_nat.source                . 
_pdbx_reference_entity_src_nat.db_code               . 
_pdbx_reference_entity_src_nat.db_name               . 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002089 2014-06-10 RCSB "Create molecule" 
PRD_002089 2014-09-10 RCSB "Initial release" 
# 
data_PRD_002092
# 
_pdbx_reference_molecule.prd_id                       PRD_002092 
_pdbx_reference_molecule.name                         "5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "transport activator" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C15 H19 Br2 N3 O5" 
_pdbx_reference_molecule.formula_weight               481.136 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4TPG 
# 
_pdbx_reference_entity_list.prd_id          PRD_002092 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002092 1 1 C ALA 1 N DBY 2 sing 1 ? ? ? 
PRD_002092 1 2 C DBY 2 N ALA 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002092 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002092 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002092 1 1 ALA ALA N Y 
PRD_002092 1 2 DBY TYR N Y 
PRD_002092 1 3 ALA ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002092 2014-06-11 RCSB "Create molecule" 
PRD_002092 2014-07-08 RCSB "Initial release" 
# 
data_PRD_002097
# 
_pdbx_reference_molecule.prd_id                       PRD_002097 
_pdbx_reference_molecule.name                         Antipain 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H46 N10 O6" 
_pdbx_reference_molecule.formula_weight               606.718 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Antipain forms a covalent linkage between the Arginal residue of the inhibitor and Ser residue of the protein." 
_pdbx_reference_molecule.description                  "Acts as a reversible inhibitor of serine/cysteine proteases and some trypsin-like serine proteases." 
_pdbx_reference_molecule.representative_PDB_id_code   2XE4 
# 
_pdbx_reference_entity_list.prd_id          PRD_002097 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002097 1 1 C1 FC0 1 N ARG 2 sing 1 ? ? ? 
PRD_002097 1 2 C  ARG 2 N VAL 3 sing 1 ? ? ? 
PRD_002097 1 3 C  VAL 3 N RGL 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002097 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00664 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002097 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002097 1 1 FC0 PHE N Y 
PRD_002097 1 2 ARG ARG N Y 
PRD_002097 1 3 VAL VAL N Y 
PRD_002097 1 4 RGL ARG N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_002097 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1760 
_pdbx_reference_entity_src_nat.organism_scientific   ACTINOBACTERIA 
_pdbx_reference_entity_src_nat.source                . 
_pdbx_reference_entity_src_nat.db_code               NOR00664 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002097 2013-07-17 PDBE "Create molecule"    
PRD_002097 2013-08-07 RCSB "Initial release"    
PRD_002097 2022-10-20 RCSB "Other modification" 
# 
data_PRD_002098
# 
_pdbx_reference_molecule.prd_id                       PRD_002098 
_pdbx_reference_molecule.name                         Argadin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H43 N10 O9" 
_pdbx_reference_molecule.formula_weight               675.713 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Acts as a Chitinase Inhibitor" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1H0G 
# 
_pdbx_reference_entity_list.prd_id          PRD_002098 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002098 1 1 N  0AR 1 C UN1 5 sing 1 ? ? ? 
PRD_002098 1 2 C  0AR 1 N DPR 2 sing 1 ? ? ? 
PRD_002098 1 3 C  DPR 2 N UN2 3 sing 1 ? ? ? 
PRD_002098 1 4 CG UN2 3 N HIS 4 sing 1 ? ? ? 
PRD_002098 1 5 C  UN2 3 N HIS 4 sing 1 ? ? ? 
PRD_002098 1 6 C  HIS 4 N UN1 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002098 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002098 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002098 1 1 0AR ARG N Y 
PRD_002098 1 2 DPR .   N Y 
PRD_002098 1 3 UN2 .   N Y 
PRD_002098 1 4 HIS HIS N Y 
PRD_002098 1 5 UN1 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002098 2013-07-17 PDBE "Create molecule"    
PRD_002098 2013-08-07 RCSB "Initial release"    
PRD_002098 2023-06-11 RCSB "Modify audit"       
PRD_002098 2023-11-03 PDBE "Other modification" 
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   Clonostachys 
_pdbx_reference_entity_src_nat.prd_id                PRD_002098 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 160268 
# 
data_PRD_002099
# 
_pdbx_reference_molecule.prd_id                       PRD_002099 
_pdbx_reference_molecule.name                         
;Uridine 5'Diphospho N-acetyl muramoyl-L-Alanyl-D-Glutamyl-L-Lysine
;
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Glycopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Metabolism 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C34 H55 N7 O24 P2" 
_pdbx_reference_molecule.formula_weight               1007.781 
_pdbx_reference_molecule.chem_comp_id                 UML 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4C12 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002099 
_pdbx_reference_entity_subcomponents.seq            "UDP MUB ALA DGL LYS" 
_pdbx_reference_entity_subcomponents.chem_comp_id   UML 
# 
_pdbx_reference_entity_list.prd_id          PRD_002099 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002099 1 1 PB  UDP 1 O1 MUB 2 SING 1 ? ? ? 
PRD_002099 1 2 C10 MUB 2 N  ALA 3 SING 1 ? ? ? 
PRD_002099 1 3 C   ALA 3 N  DGL 4 SING 1 ? ? ? 
PRD_002099 1 4 CD  DGL 4 N  LYS 5 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002099 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002099 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002099 1 1 UDP .   N Y 
PRD_002099 1 2 MUB .   N Y 
PRD_002099 1 3 ALA ALA N Y 
PRD_002099 1 4 DGL .   N Y 
PRD_002099 1 5 LYS LYS N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002099 2013-08-09 PDBE "Create molecule" 
PRD_002099 2013-10-02 RCSB "Initial release" 
PRD_002099 2023-06-11 RCSB "Modify audit"    
# 
data_PRD_002101
# 
_pdbx_reference_molecule.prd_id                       PRD_002101 
_pdbx_reference_molecule.name                         Linopristin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C50 H63 N9 O10" 
_pdbx_reference_molecule.formula_weight               950.090 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Linopristin is an antibiotic of the streptogramin B class. It is one of the components of the antibiotic combination NXL103, an experimental drug candidate under development by Novexel. It is an oral streptogramin antibiotic that has potent in vitro activity against certain Gram positive bacteria including methicillin resistant Staphylococcus aureus (MRSA) as well as the important respiratory pathogens including penicillin-, macrolide- and quinolone-resistant strains." 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4TOM 
# 
_pdbx_reference_entity_list.prd_id          PRD_002101 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002101 1 1 C   MHW 1 N THR 2 SING 1 ? ? ? 
PRD_002101 1 2 OG1 THR 2 C 004 7 SING 1 ? ? ? 
PRD_002101 1 3 C   THR 2 N DBB 3 SING 1 ? ? ? 
PRD_002101 1 4 C   DBB 3 N PRO 4 SING 1 ? ? ? 
PRD_002101 1 5 C   PRO 4 N MHU 5 SING 1 ? ? ? 
PRD_002101 1 6 C   MHU 5 N 04X 6 SING 1 ? ? ? 
PRD_002101 1 7 C   04X 6 N 004 7 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002101 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002101 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002101 1 1 MHW .   N Y 
PRD_002101 1 2 THR THR N Y 
PRD_002101 1 3 DBB .   N Y 
PRD_002101 1 4 PRO PRO N Y 
PRD_002101 1 5 MHU PHE N Y 
PRD_002101 1 6 04X .   N Y 
PRD_002101 1 7 004 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002101 2014-06-19 RCSB "Create molecule" 
PRD_002101 2014-07-30 RCSB "Initial release" 
# 
data_PRD_002103
# 
_pdbx_reference_molecule.prd_id                       PRD_002103 
_pdbx_reference_molecule.name                         "BETA-SECRETASE1 INHIBITOR" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H51 N5 O8 S" 
_pdbx_reference_molecule.formula_weight               641.820 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4TRW 
# 
_pdbx_reference_entity_list.prd_id          PRD_002103 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002103 1 1 C GLU 1 N ILE 2 sing 1 ? ? ? 
PRD_002103 1 2 C ILE 2 N TIH 3 sing 1 ? ? ? 
PRD_002103 1 3 C TIH 3 N LHE 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002103 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002103 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002103 1 1 GLU GLU N Y 
PRD_002103 1 2 ILE ILE N Y 
PRD_002103 1 3 TIH ALA N Y 
PRD_002103 1 4 LHE .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002103 2014-06-24 RCSB "Create molecule"    
PRD_002103 2015-07-01 RCSB "Initial release"    
PRD_002103 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002106
# 
_pdbx_reference_molecule.prd_id                       PRD_002106 
_pdbx_reference_molecule.name                         "syn-HEA type inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H45 N5 O9 S2" 
_pdbx_reference_molecule.formula_weight               695.847 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4TRY 
# 
_pdbx_reference_entity_list.prd_id          PRD_002106 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002106 1 1 C GLU 1 N  ILE 2 sing 1 ? ? ? 
PRD_002106 1 2 C ILE 2 N  TIH 3 sing 1 ? ? ? 
PRD_002106 1 3 C TIH 3 N1 36D 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002106 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002106 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002106 1 1 GLU GLU N Y 
PRD_002106 1 2 ILE ILE N Y 
PRD_002106 1 3 TIH ALA N Y 
PRD_002106 1 4 36D .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002106 2014-07-09 RCSB "Create molecule"    
PRD_002106 2012-07-11 RCSB "Other modification" 
PRD_002106 2015-07-29 RCSB "Initial release"    
# 
data_PRD_002107
# 
_pdbx_reference_molecule.prd_id                       PRD_002107 
_pdbx_reference_molecule.name                         "2-thiophenyl HEA-type inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H47 N5 O8 S2" 
_pdbx_reference_molecule.formula_weight               681.864 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4TRZ 
# 
_pdbx_reference_entity_list.prd_id          PRD_002107 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002107 1 1 C GLU 1 N ILE 2 sing 1 ? ? ? 
PRD_002107 1 2 C ILE 2 N TIH 3 sing 1 ? ? ? 
PRD_002107 1 3 C TIH 3 N TVA 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002107 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002107 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002107 1 1 GLU GLU N Y 
PRD_002107 1 2 ILE ILE N Y 
PRD_002107 1 3 TIH ALA N Y 
PRD_002107 1 4 TVA .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002107 2014-07-09 PDBJ "Create molecule"    
PRD_002107 2015-07-01 RCSB "Initial release"    
PRD_002107 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002111
# 
_pdbx_reference_molecule.prd_id                       PRD_002111 
_pdbx_reference_molecule.name                         ADEP-2B5Me 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic depsipeptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C41 H56 F2 N6 O8" 
_pdbx_reference_molecule.formula_weight               798.916 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4U0G 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002111 1 1 polymer     .   
PRD_002111 2 2 non-polymer 39Y 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002111 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "(2E,5S)-5-methylhept-2-enoic acid" 
_pdbx_reference_entity_nonpoly.chem_comp_id    39Y 
_pdbx_reference_entity_nonpoly.details         . 
# 
_pdbx_reference_entity_link.prd_id              PRD_002111 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    1 
_pdbx_reference_entity_link.comp_id_1           WFP 
_pdbx_reference_entity_link.atom_id_1           N 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    . 
_pdbx_reference_entity_link.comp_id_2           39Y 
_pdbx_reference_entity_link.atom_id_2           C8 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             . 
_pdbx_reference_entity_link.nonpoly_res_num_1   . 
_pdbx_reference_entity_link.nonpoly_res_num_2   . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002111 1 1 C   WFP 1 N THR 2 sing 1 . . . 
PRD_002111 1 2 C   THR 2 N PRO 3 sing 1 . . . 
PRD_002111 1 3 OG1 THR 2 C PRO 6 sing 1 . . . 
PRD_002111 1 4 C   PRO 3 N 3A0 4 sing 1 . . . 
PRD_002111 1 5 C   3A0 4 N ALA 5 sing 1 . . . 
PRD_002111 1 6 C   ALA 5 N PRO 6 sing 1 . . . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002111 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002111 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002111 1 1 WFP PHE N Y 
PRD_002111 1 2 THR THR N Y 
PRD_002111 1 3 PRO PRO N Y 
PRD_002111 1 4 3A0 .   N Y 
PRD_002111 1 5 ALA ALA N Y 
PRD_002111 1 6 PRO PRO N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002111 2014-07-18 RCSB "Create molecule"    
PRD_002111 2014-10-08 RCSB "Initial release"    
PRD_002111 2023-11-03 PDBE "Other modification" 
PRD_002111 2024-12-19 RCSB "Other modification" 
# 
data_PRD_002115
# 
_pdbx_reference_molecule.prd_id                       PRD_002115 
_pdbx_reference_molecule.name                         "nonimmunosuppressive inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C69 H125 N13 O13" 
_pdbx_reference_molecule.formula_weight               1344.810 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4TOT 
# 
_pdbx_reference_entity_list.prd_id          PRD_002115 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002115 1 1  N DAL 1  C ALA 11 sing 1 ? ? ? 
PRD_002115 1 2  C DAL 1  N MLE 2  sing 1 ? ? ? 
PRD_002115 1 3  C MLE 2  N MLE 3  sing 1 ? ? ? 
PRD_002115 1 4  C MLE 3  N MVA 4  sing 1 ? ? ? 
PRD_002115 1 5  C MVA 4  N BMT 5  sing 1 ? ? ? 
PRD_002115 1 6  C BMT 5  N ABA 6  sing 1 ? ? ? 
PRD_002115 1 7  C ABA 6  N 33X 7  sing 1 ? ? ? 
PRD_002115 1 8  C 33X 7  N 34E 8  sing 1 ? ? ? 
PRD_002115 1 9  C 34E 8  N VAL 9  sing 1 ? ? ? 
PRD_002115 1 10 C VAL 9  N MLE 10 sing 1 ? ? ? 
PRD_002115 1 11 C MLE 10 N ALA 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002115 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002115 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002115 1 1  DAL .   N Y 
PRD_002115 1 2  MLE LEU N Y 
PRD_002115 1 3  MLE LEU N Y 
PRD_002115 1 4  MVA VAL N Y 
PRD_002115 1 5  BMT THR N Y 
PRD_002115 1 6  ABA ALA N Y 
PRD_002115 1 7  33X .   N Y 
PRD_002115 1 8  34E VAL N Y 
PRD_002115 1 9  VAL VAL N Y 
PRD_002115 1 10 MLE LEU N Y 
PRD_002115 1 11 ALA ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002115 2014-08-13 RCSB "Create molecule" 
PRD_002115 2014-11-12 RCSB "Initial release" 
# 
data_PRD_002118
# 
_pdbx_reference_molecule.prd_id                       PRD_002118 
_pdbx_reference_molecule.name                         "C6H5(CH2)8-derivatized peptide inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C39 H53 N6 O10 P" 
_pdbx_reference_molecule.formula_weight               796.846 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4WHK 
# 
_pdbx_reference_entity_list.prd_id          PRD_002118 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002118 1 1 C21 YAC 1 N 56A 2 sing 1 ? ? ? 
PRD_002118 1 2 C   56A 2 N SER 3 sing 1 ? ? ? 
PRD_002118 1 3 C   SER 3 N TPO 4 sing 1 ? ? ? 
PRD_002118 1 4 C   TPO 4 N NH2 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002118 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002118 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002118 1 1 YAC .   N Y 
PRD_002118 1 2 56A HIS N Y 
PRD_002118 1 3 SER SER N Y 
PRD_002118 1 4 TPO THR N Y 
PRD_002118 1 5 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002118 2014-10-02 PDBJ "Create molecule" 
PRD_002118 2014-12-03 RCSB "Initial release" 
# 
data_PRD_002126
# 
_pdbx_reference_molecule.prd_id                       PRD_002126 
_pdbx_reference_molecule.name                         "C6H5(CH2)8-derivatized peptide inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C38 H54 N7 O10 P" 
_pdbx_reference_molecule.formula_weight               799.850 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4WHL 
# 
_pdbx_reference_entity_list.prd_id          PRD_002126 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002126 1 1 C KAC 1 N 56A 2 sing 1 ? ? ? 
PRD_002126 1 2 C 56A 2 N SER 3 sing 1 ? ? ? 
PRD_002126 1 3 C SER 3 N TPO 4 sing 1 ? ? ? 
PRD_002126 1 4 C TPO 4 N NH2 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002126 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002126 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002126 1 1 KAC .   N Y 
PRD_002126 1 2 56A HIS N Y 
PRD_002126 1 3 SER SER N Y 
PRD_002126 1 4 TPO THR N Y 
PRD_002126 1 5 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002126 2014-10-07 PDBJ "Create molecule"    
PRD_002126 2014-12-03 RCSB "Initial release"    
PRD_002126 2015-02-02 PDBJ "Modify sequence"    
PRD_002126 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002127
# 
_pdbx_reference_molecule.prd_id                       PRD_002127 
_pdbx_reference_molecule.name                         "C6H5(CH2)8-derivatized peptide inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C38 H54 N7 O11 P" 
_pdbx_reference_molecule.formula_weight               815.849 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4WHH 
# 
_pdbx_reference_entity_list.prd_id          PRD_002127 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002127 1 1 C11 QAC 1 N 56A 2 sing 1 ? ? ? 
PRD_002127 1 2 C   56A 2 N SER 3 sing 1 ? ? ? 
PRD_002127 1 3 C   SER 3 N TPO 4 sing 1 ? ? ? 
PRD_002127 1 4 C   TPO 4 N NH2 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002127 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002127 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002127 1 1 QAC .   N Y 
PRD_002127 1 2 56A HIS N Y 
PRD_002127 1 3 SER SER N Y 
PRD_002127 1 4 TPO THR N Y 
PRD_002127 1 5 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002127 2014-11-04 PDBJ "Create molecule"    
PRD_002127 2014-12-03 RCSB "Initial release"    
PRD_002127 2020-06-27 RCSB "Other modification" 
# 
data_PRD_002132
# 
_pdbx_reference_molecule.prd_id                       PRD_002132 
_pdbx_reference_molecule.name                         "(3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antagonist 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C37 H47 N9 O7" 
_pdbx_reference_molecule.formula_weight               729.825 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4WVU 
# 
_pdbx_reference_entity_list.prd_id          PRD_002132 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002132 1 1 C   MAA 1 N  VAL 2 sing 1 ? ? ? 
PRD_002132 1 2 C   VAL 2 N  3V8 3 sing 1 ? ? ? 
PRD_002132 1 3 C   3V8 3 N  PHE 4 sing 1 ? ? ? 
PRD_002132 1 4 C10 3V8 3 NZ HOX 5 sing 1 ? ? ? 
PRD_002132 1 5 C   PHE 4 N  HOX 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002132 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002132 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002132 1 1 MAA ALA N Y 
PRD_002132 1 2 VAL VAL N Y 
PRD_002132 1 3 3V8 .   N Y 
PRD_002132 1 4 PHE PHE N Y 
PRD_002132 1 5 HOX PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002132 2014-11-13 RCSB "Create molecule"    
PRD_002132 2015-03-04 RCSB "Initial release"    
PRD_002132 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002133
# 
_pdbx_reference_molecule.prd_id                       PRD_002133 
_pdbx_reference_molecule.name                         "(3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antagonist 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C42 H50 N8 O8" 
_pdbx_reference_molecule.formula_weight               794.895 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4WVT 
# 
_pdbx_reference_entity_list.prd_id          PRD_002133 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002133 1 1 C  MAA 1 N  PHE 2 sing 1 ? ? ? 
PRD_002133 1 2 CZ PHE 2 O8 3V7 6 sing 1 ? ? ? 
PRD_002133 1 3 C  PHE 2 N  PRO 3 sing 1 ? ? ? 
PRD_002133 1 4 C  PRO 3 N  PHE 4 sing 1 ? ? ? 
PRD_002133 1 5 C  PHE 4 N  PHE 5 sing 1 ? ? ? 
PRD_002133 1 6 CZ PHE 5 O1 3V7 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002133 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002133 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002133 1 1 MAA ALA N Y 
PRD_002133 1 2 PHE PHE N Y 
PRD_002133 1 3 PRO PRO N Y 
PRD_002133 1 4 PHE PHE N Y 
PRD_002133 1 5 PHE PHE N Y 
PRD_002133 1 6 3V7 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002133 2014-11-13 RCSB "Create molecule" 
PRD_002133 2015-03-04 RCSB "Initial release" 
# 
data_PRD_002139
# 
_pdbx_reference_molecule.prd_id                       PRD_002139 
_pdbx_reference_molecule.name                         "6-mer peptide BTN-PE5-NLB-OMT-OIC-AXY" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C51 H80 N7 O16 P S2" 
_pdbx_reference_molecule.formula_weight               1142.322 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4WVP 
# 
_pdbx_reference_entity_list.prd_id          PRD_002139 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002139 1 1 C11 BTN 1 N 3V3 2 doub 1 ? ? ? 
PRD_002139 1 2 C   3V3 2 N NLB 3 doub 1 ? ? ? 
PRD_002139 1 3 C   NLB 3 N OMT 4 doub 1 ? ? ? 
PRD_002139 1 4 C   OMT 4 N OIC 5 doub 1 ? ? ? 
PRD_002139 1 5 C   OIC 5 N 3V2 6 doub 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002139 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002139 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002139 1 1 BTN .   N Y 
PRD_002139 1 2 3V3 .   N Y 
PRD_002139 1 3 NLB LEU N Y 
PRD_002139 1 4 OMT MET N Y 
PRD_002139 1 5 OIC .   N Y 
PRD_002139 1 6 3V2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002139 2015-01-29 RCSB "Create molecule"      
PRD_002139 2015-02-11 RCSB "Initial release"      
PRD_002139 2015-03-30 RCSB "Modify molecule name" 
PRD_002139 2023-11-03 PDBE "Other modification"   
# 
data_PRD_002146
# 
_pdbx_reference_molecule.prd_id                       PRD_002146 
_pdbx_reference_molecule.name                         "N-[2-(aminomethyl)-5-chlorobenzyl]-1-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-L-prolinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C19 H23 Cl N4 O2" 
_pdbx_reference_molecule.formula_weight               374.865 
_pdbx_reference_molecule.chem_comp_id                 45S 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4YES 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002146 
_pdbx_reference_entity_subcomponents.seq            "5M1 PRO 00T" 
_pdbx_reference_entity_subcomponents.chem_comp_id   45S 
# 
_pdbx_reference_entity_list.prd_id          PRD_002146 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002146 1 1 C10 5M1 1 N   PRO 2 SING 1 ? ? ? 
PRD_002146 1 2 C   PRO 2 N19 00T 3 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002146 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002146 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002146 1 1 5M1 .   N Y 
PRD_002146 1 2 PRO PRO N Y 
PRD_002146 1 3 00T .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002146 2015-03-04 RCSB "Create molecule"      
PRD_002146 2015-03-31 RCSB "Modify molecule name" 
PRD_002146 2015-06-17 RCSB "Initial release"      
# 
data_PRD_002147
# 
_pdbx_reference_molecule.prd_id                       PRD_002147 
_pdbx_reference_molecule.name                         "N-{(2R,4S,5S)-2-benzyl-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-leucyl-L-phenylalaninamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C39 H52 N4 O6" 
_pdbx_reference_molecule.formula_weight               672.853 
_pdbx_reference_molecule.chem_comp_id                 4B5 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4Y6K 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002147 
_pdbx_reference_entity_subcomponents.seq            "BOC PJJ LEU NFA" 
_pdbx_reference_entity_subcomponents.chem_comp_id   4B5 
# 
_pdbx_reference_entity_list.prd_id          PRD_002147 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002147 1 1 C BOC 1 N PJJ 2 SING 1 ? ? ? 
PRD_002147 1 2 C PJJ 2 N LEU 3 SING 1 ? ? ? 
PRD_002147 1 3 C LEU 3 N NFA 4 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002147 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002147 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002147 1 1 BOC .   N Y 
PRD_002147 1 2 PJJ .   N Y 
PRD_002147 1 3 LEU LEU N Y 
PRD_002147 1 4 NFA PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002147 2015-03-09 . "Create molecule"      
PRD_002147 2015-03-16 . "Modify molecule name" 
# 
data_PRD_002148
# 
_pdbx_reference_molecule.prd_id                       PRD_002148 
_pdbx_reference_molecule.name                         "2-methyl-L-alanyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C39 H62 N6 O6 S" 
_pdbx_reference_molecule.formula_weight               743.011 
_pdbx_reference_molecule.chem_comp_id                 3WD 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4X1I 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002148 
_pdbx_reference_entity_subcomponents.seq            "AIB VAL 3WT 3WU 3WW" 
_pdbx_reference_entity_subcomponents.chem_comp_id   3WD 
# 
_pdbx_reference_entity_list.prd_id          PRD_002148 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002148 1 1 C AIB 1 N  VAL 2 SING 1 ? ? ? 
PRD_002148 1 2 C VAL 2 N  3WT 3 SING 1 ? ? ? 
PRD_002148 1 3 C 3WT 3 N  3WU 4 SING 1 ? ? ? 
PRD_002148 1 4 C 3WU 4 N2 3WW 5 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002148 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002148 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002148 1 1 AIB ALA N Y 
PRD_002148 1 2 VAL VAL N Y 
PRD_002148 1 3 3WT .   N Y 
PRD_002148 1 4 3WU .   N Y 
PRD_002148 1 5 3WW .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002148 2015-03-17 RCSB "Create molecule"      
PRD_002148 2015-03-25 RCSB "Initial release"      
PRD_002148 2015-04-01 RCSB "Modify molecule name" 
PRD_002148 2017-12-15 PDBE "Modify audit"         
PRD_002148 2023-11-03 PDBE "Other modification"   
# 
data_PRD_002151
# 
_pdbx_reference_molecule.prd_id                       PRD_002151 
_pdbx_reference_molecule.name                         "2-methyl-L-alanyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C37 H61 N5 O8" 
_pdbx_reference_molecule.formula_weight               703.909 
_pdbx_reference_molecule.chem_comp_id                 3WZ 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4X1K 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002151 
_pdbx_reference_entity_subcomponents.seq            "AIB VAL 3WT 3WU PHE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   3WZ 
# 
_pdbx_reference_entity_list.prd_id          PRD_002151 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002151 1 1 C AIB 1 N VAL 2 SING 1 ? ? ? 
PRD_002151 1 2 C VAL 2 N 3WT 3 SING 1 ? ? ? 
PRD_002151 1 3 C 3WT 3 N 3WU 4 SING 1 ? ? ? 
PRD_002151 1 4 C 3WU 4 N PHE 5 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002151 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002151 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002151 1 1 AIB ALA N Y 
PRD_002151 1 2 VAL VAL N Y 
PRD_002151 1 3 3WT .   N Y 
PRD_002151 1 4 3WU .   N Y 
PRD_002151 1 5 PHE PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002151 2015-03-17 RCSB "Create molecule"      
PRD_002151 2015-03-25 RCSB "Initial release"      
PRD_002151 2015-04-01 RCSB "Modify molecule name" 
PRD_002151 2017-05-04 RCSB "Other modification"   
PRD_002151 2017-12-15 PDBE "Modify audit"         
PRD_002151 2023-11-03 PDBE "Other modification"   
# 
data_PRD_002153
# 
_pdbx_reference_molecule.prd_id                       PRD_002153 
_pdbx_reference_molecule.name                         "2-methyl-L-prolyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C39 H63 N5 O8" 
_pdbx_reference_molecule.formula_weight               729.946 
_pdbx_reference_molecule.chem_comp_id                 3WY 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4X20 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002153 
_pdbx_reference_entity_subcomponents.seq            "3WX VAL 3WT 3WU PHE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   3WY 
# 
_pdbx_reference_entity_list.prd_id          PRD_002153 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002153 1 1 C 3WX 1 N VAL 2 SING 1 ? ? ? 
PRD_002153 1 2 C VAL 2 N 3WT 3 SING 1 ? ? ? 
PRD_002153 1 3 C 3WT 3 N 3WU 4 SING 1 ? ? ? 
PRD_002153 1 4 C 3WU 4 N PHE 5 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002153 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002153 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002153 1 1 3WX PRO N Y 
PRD_002153 1 2 VAL VAL N Y 
PRD_002153 1 3 3WT .   N Y 
PRD_002153 1 4 3WU .   N Y 
PRD_002153 1 5 PHE PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002153 2015-03-17 RCSB "Create molecule"      
PRD_002153 2015-03-25 RCSB "Initial release"      
PRD_002153 2015-04-01 RCSB "Modify molecule name" 
PRD_002153 2017-05-04 RCSB "Other modification"   
PRD_002153 2023-11-03 PDBE "Other modification"   
# 
data_PRD_002154
# 
_pdbx_reference_molecule.prd_id                       PRD_002154 
_pdbx_reference_molecule.name                         "N,2-dimethyl-L-alanyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C38 H63 N5 O8" 
_pdbx_reference_molecule.formula_weight               717.936 
_pdbx_reference_molecule.chem_comp_id                 3WV 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4X1Y 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002154 
_pdbx_reference_entity_subcomponents.seq            "3WS VAL 3WT 3WU PHE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   3WV 
# 
_pdbx_reference_entity_list.prd_id          PRD_002154 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002154 1 1 C 3WS 1 N VAL 2 SING 1 ? ? ? 
PRD_002154 1 2 C VAL 2 N 3WT 3 SING 1 ? ? ? 
PRD_002154 1 3 C 3WT 3 N 3WU 4 SING 1 ? ? ? 
PRD_002154 1 4 C 3WU 4 N PHE 5 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002154 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002154 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002154 1 1 3WS ALA N Y 
PRD_002154 1 2 VAL VAL N Y 
PRD_002154 1 3 3WT .   N Y 
PRD_002154 1 4 3WU .   N Y 
PRD_002154 1 5 PHE PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002154 2015-03-17 RCSB "Create molecule"      
PRD_002154 2015-03-25 RCSB "Initial release"      
PRD_002154 2015-04-01 RCSB "Modify molecule name" 
PRD_002154 2017-12-15 PDBE "Modify audit"         
PRD_002154 2023-11-03 PDBE "Other modification"   
# 
data_PRD_002156
# 
_pdbx_reference_molecule.prd_id                       PRD_002156 
_pdbx_reference_molecule.name                         "Peptide inhibitor Ac-VLTK-AOMK" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H45 N5 O6" 
_pdbx_reference_molecule.formula_weight               499.644 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4YEC 
# 
_pdbx_reference_entity_list.prd_id          PRD_002156 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002156 1 1 C ACE 1 N VAL 2 sing 1 ? ? ? 
PRD_002156 1 2 C VAL 2 N LEU 3 sing 1 ? ? ? 
PRD_002156 1 3 C LEU 3 N THR 4 sing 1 ? ? ? 
PRD_002156 1 4 C THR 4 N CKC 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002156 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002156 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002156 1 1 ACE .   N Y 
PRD_002156 1 2 VAL VAL N Y 
PRD_002156 1 3 LEU LEU N Y 
PRD_002156 1 4 THR THR N Y 
PRD_002156 1 5 CKC .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002156 2015-03-31 .    "Create molecule"    
PRD_002156 2016-03-16 RCSB "Initial release"    
PRD_002156 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002159
# 
_pdbx_reference_molecule.prd_id                       PRD_002159 
_pdbx_reference_molecule.name                         "METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H35 Cl N4 O7" 
_pdbx_reference_molecule.formula_weight               551.032 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4ZAR 
# 
_pdbx_reference_entity_list.prd_id          PRD_002159 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002159 1 1 C1 MSU 1 N ALA 2 sing 1 ? ? ? 
PRD_002159 1 2 C  ALA 2 N ALA 3 sing 1 ? ? ? 
PRD_002159 1 3 C  ALA 3 N PRO 4 sing 1 ? ? ? 
PRD_002159 1 4 C  PRO 4 N PCS 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002159 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002159 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002159 1 1 MSU .   N Y 
PRD_002159 1 2 ALA ALA N Y 
PRD_002159 1 3 ALA ALA N Y 
PRD_002159 1 4 PRO PRO N Y 
PRD_002159 1 5 PCS PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002159 2015-04-14 .    "Create molecule" 
PRD_002159 2015-05-06 RCSB "Initial release" 
# 
data_PRD_002162
# 
_pdbx_reference_molecule.prd_id                       PRD_002162 
_pdbx_reference_molecule.name                         Lichostatinal 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H41 N10 O5" 
_pdbx_reference_molecule.formula_weight               501.604 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4YV8 
# 
_pdbx_reference_entity_list.prd_id          PRD_002162 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002162 1 1 CA AG2 1 N1 URE 2 sing 1 ? ? ? 
PRD_002162 1 2 C  URE 2 N  SER 3 sing 1 ? ? ? 
PRD_002162 1 3 C  SER 3 N  VAL 4 sing 1 ? ? ? 
PRD_002162 1 4 C  VAL 4 N  RGL 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002162 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002162 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002162 1 1 AG2 .   N Y 
PRD_002162 1 2 URE .   N Y 
PRD_002162 1 3 SER SER N Y 
PRD_002162 1 4 VAL VAL N Y 
PRD_002162 1 5 RGL ARG N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_002162 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 701525 
_pdbx_reference_entity_src_nat.organism_scientific   "actinomycete 095-35" 
_pdbx_reference_entity_src_nat.source                . 
_pdbx_reference_entity_src_nat.db_code               . 
_pdbx_reference_entity_src_nat.db_name               . 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002162 2015-04-22 .    "Create molecule" 
PRD_002162 2016-05-04 RCSB "Initial release" 
# 
data_PRD_002168
# 
_pdbx_reference_molecule.prd_id                       PRD_002168 
_pdbx_reference_molecule.name                         "N-[(benzyloxy)carbonyl]-O-carbamimidamido-L-homoseryl-N-{(3S,4S)-3-hydroxy-6-methyl-1-oxo-1-[(2-phenylethyl)amino]heptan-4-yl}-L-valinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C34 H51 N7 O7" 
_pdbx_reference_molecule.formula_weight               669.811 
_pdbx_reference_molecule.chem_comp_id                 4PK 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4ZL4 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002168 
_pdbx_reference_entity_subcomponents.seq            "PHQ GGB VAL STA PEA" 
_pdbx_reference_entity_subcomponents.chem_comp_id   4PK 
# 
_pdbx_reference_entity_list.prd_id          PRD_002168 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002168 1 1 C02 PHQ 1 N GGB 2 SING 1 ? ? ? 
PRD_002168 1 2 C   GGB 2 N VAL 3 SING 1 ? ? ? 
PRD_002168 1 3 C   VAL 3 N STA 4 SING 1 ? ? ? 
PRD_002168 1 4 C   STA 4 N PEA 5 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002168 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002168 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002168 1 1 PHQ .   N Y 
PRD_002168 1 2 GGB .   N Y 
PRD_002168 1 3 VAL VAL N Y 
PRD_002168 1 4 STA .   N Y 
PRD_002168 1 5 PEA .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002168 2015-05-01 RCSB "Create molecule" 
PRD_002168 2015-07-15 RCSB "Initial release" 
# 
data_PRD_002173
# 
_pdbx_reference_molecule.prd_id                       PRD_002173 
_pdbx_reference_molecule.name                         "N-methyl-L-valyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C39 H67 N5 O7" 
_pdbx_reference_molecule.formula_weight               717.979 
_pdbx_reference_molecule.chem_comp_id                 4Q5 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4ZHQ 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002173 
_pdbx_reference_entity_subcomponents.seq            "MVA VAL 3WT 3WU NPU" 
_pdbx_reference_entity_subcomponents.chem_comp_id   4Q5 
# 
_pdbx_reference_entity_list.prd_id          PRD_002173 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002173 1 1 C MVA 1 N  VAL 2 SING 1 ? ? ? 
PRD_002173 1 2 C VAL 2 N  3WT 3 SING 1 ? ? ? 
PRD_002173 1 3 C 3WT 3 N  3WU 4 SING 1 ? ? ? 
PRD_002173 1 4 C 3WU 4 N2 NPU 5 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002173 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002173 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002173 1 1 MVA VAL N Y 
PRD_002173 1 2 VAL VAL N Y 
PRD_002173 1 3 3WT .   N Y 
PRD_002173 1 4 3WU .   N Y 
PRD_002173 1 5 NPU .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002173 2015-05-12 .    "Create molecule"    
PRD_002173 2016-07-27 RCSB "Initial release"    
PRD_002173 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002174
# 
_pdbx_reference_molecule.prd_id                       PRD_002174 
_pdbx_reference_molecule.name                         "Bound inhibitor of N-(tert-butoxycarbonyl)-L-seryl-L-valyl-N-{(2S)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-leucinamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H53 N5 O9" 
_pdbx_reference_molecule.formula_weight               627.770 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4ZRO 
# 
_pdbx_reference_entity_list.prd_id          PRD_002174 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002174 1 1 C BOC 1 N   SER 2 SING 1 ? ? ? 
PRD_002174 1 2 C SER 2 N   VAL 3 sing 1 ? ? ? 
PRD_002174 1 3 C VAL 3 N   LEU 4 sing 1 ? ? ? 
PRD_002174 1 4 C LEU 4 N49 CEV 5 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002174 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002174 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002174 1 1 BOC .   N Y 
PRD_002174 1 2 SER SER N Y 
PRD_002174 1 3 VAL VAL N Y 
PRD_002174 1 4 LEU LEU N Y 
PRD_002174 1 5 CEV .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002174 2015-05-12 RCSB "Create molecule" 
PRD_002174 2015-06-17 RCSB "Initial release" 
# 
data_PRD_002175
# 
_pdbx_reference_molecule.prd_id                       PRD_002175 
_pdbx_reference_molecule.name                         "N,beta,beta-trimethyl-L-phenylalanyl-N-[(3S,4Z)-5-carboxy-2-methylhex-4-en-3-yl]-N,3-dimethyl-L-valinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H43 N3 O4" 
_pdbx_reference_molecule.formula_weight               473.648 
_pdbx_reference_molecule.chem_comp_id                 4SL 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4ZI7 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002175 
_pdbx_reference_entity_subcomponents.seq            "4SJ TBG 4SF" 
_pdbx_reference_entity_subcomponents.chem_comp_id   4SL 
# 
_pdbx_reference_entity_list.prd_id          PRD_002175 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002175 1 1 C 4SJ 1 N TBG 2 SING 1 ? ? ? 
PRD_002175 1 2 C TBG 2 N 4SF 3 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002175 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002175 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002175 1 1 4SJ PHE N Y 
PRD_002175 1 2 TBG VAL N Y 
PRD_002175 1 3 4SF .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002175 2015-05-21 .    "Create molecule" 
PRD_002175 2016-07-27 RCSB "Initial release" 
# 
data_PRD_002182
# 
_pdbx_reference_molecule.prd_id                       PRD_002182 
_pdbx_reference_molecule.name                         "macrocyclic peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C63 H106 N18 O21" 
_pdbx_reference_molecule.formula_weight               1451.624 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4ZQW 
# 
_pdbx_reference_entity_list.prd_id          PRD_002182 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002182 1 1  C SER 1  NE ORN 2  sing 1 ? ? ? 
PRD_002182 1 2  N SER 1  C  THR 13 sing 1 ? ? ? 
PRD_002182 1 3  C ORN 2  N  LYS 3  sing 1 ? ? ? 
PRD_002182 1 4  C LYS 3  N  GLU 4  sing 1 ? ? ? 
PRD_002182 1 5  C GLU 4  N  TYR 5  sing 1 ? ? ? 
PRD_002182 1 6  C TYR 5  N  ALA 6  sing 1 ? ? ? 
PRD_002182 1 7  C ALA 6  N  LEU 7  sing 1 ? ? ? 
PRD_002182 1 8  C LEU 7  N  SER 8  sing 1 ? ? ? 
PRD_002182 1 9  C SER 8  N  GLY 9  sing 1 ? ? ? 
PRD_002182 1 10 C GLY 9  N  ARG 10 sing 1 ? ? ? 
PRD_002182 1 11 C ARG 10 N  GLU 11 sing 1 ? ? ? 
PRD_002182 1 12 C GLU 11 N  LEU 12 sing 1 ? ? ? 
PRD_002182 1 13 C LEU 12 N  THR 13 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002182 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002182 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002182 1 1  SER SER N Y 
PRD_002182 1 2  ORN ALA N Y 
PRD_002182 1 3  LYS LYS N Y 
PRD_002182 1 4  GLU GLU N Y 
PRD_002182 1 5  TYR TYR N Y 
PRD_002182 1 6  ALA ALA N Y 
PRD_002182 1 7  LEU LEU N Y 
PRD_002182 1 8  SER SER N Y 
PRD_002182 1 9  GLY GLY N Y 
PRD_002182 1 10 ARG ARG N Y 
PRD_002182 1 11 GLU GLU N Y 
PRD_002182 1 12 LEU LEU N Y 
PRD_002182 1 13 THR THR N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002182 2015-06-10 .    "Create molecule" 
PRD_002182 2015-10-28 RCSB "Initial release" 
# 
data_PRD_002183
# 
_pdbx_reference_molecule.prd_id                       PRD_002183 
_pdbx_reference_molecule.name                         "macrocyclic inhibitor MC25b" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H43 F N6 O9" 
_pdbx_reference_molecule.formula_weight               722.760 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5BMM 
# 
_pdbx_reference_entity_list.prd_id          PRD_002183 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002183 1 1 C  FUM 1 N  ORN 5 sing 1 ? ? ? 
PRD_002183 1 2 C6 FUM 1 N  ALC 2 sing 1 ? ? ? 
PRD_002183 1 3 C  ALC 2 N  PFF 3 sing 1 ? ? ? 
PRD_002183 1 4 C  PFF 3 N  PPN 4 sing 1 ? ? ? 
PRD_002183 1 5 C  PPN 4 NE ORN 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002183 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002183 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002183 1 1 FUM .   N Y 
PRD_002183 1 2 ALC ALA N Y 
PRD_002183 1 3 PFF PHE N Y 
PRD_002183 1 4 PPN PHE N Y 
PRD_002183 1 5 ORN ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002183 2015-06-17 RCSB "Create molecule"    
PRD_002183 2016-09-21 RCSB "Initial release"    
PRD_002183 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002186
# 
_pdbx_reference_molecule.prd_id                       PRD_002186 
_pdbx_reference_molecule.name                         "CFMOC-KKETEV peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C47 H70 N8 O13" 
_pdbx_reference_molecule.formula_weight               955.104 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5D13 
# 
_pdbx_reference_entity_list.prd_id          PRD_002186 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002186 1 1 C16 56J 1 N LYS 2 sing 1 ? ? ? 
PRD_002186 1 2 C   LYS 2 N LYS 3 sing 1 ? ? ? 
PRD_002186 1 3 C   LYS 3 N GLU 4 sing 1 ? ? ? 
PRD_002186 1 4 C   GLU 4 N THR 5 sing 1 ? ? ? 
PRD_002186 1 5 C   THR 5 N GLU 6 sing 1 ? ? ? 
PRD_002186 1 6 C   GLU 6 N VAL 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002186 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002186 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002186 1 1 56J .   N Y 
PRD_002186 1 2 LYS LYS N Y 
PRD_002186 1 3 LYS LYS N Y 
PRD_002186 1 4 GLU GLU N Y 
PRD_002186 1 5 THR THR N Y 
PRD_002186 1 6 GLU GLU N Y 
PRD_002186 1 7 VAL VAL N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002186 2015-08-04 ?    "Create molecule"      
PRD_002186 2015-11-24 ?    "Modify molecule name" 
PRD_002186 2016-08-17 RCSB "Initial release"      
# 
data_PRD_002187
# 
_pdbx_reference_molecule.prd_id                       PRD_002187 
_pdbx_reference_molecule.name                         "tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-23-oxa-6,9,14,21,22-pentaazabicyclo[18.2.1]tricosa-1(22),20-dien-4-yl]carbamate" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H50 N6 O7" 
_pdbx_reference_molecule.formula_weight               606.754 
_pdbx_reference_molecule.chem_comp_id                 V66 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5DG6 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002187 
_pdbx_reference_entity_subcomponents.seq            "BOC 5A6 GAU ALC" 
_pdbx_reference_entity_subcomponents.chem_comp_id   V66 
# 
_pdbx_reference_entity_list.prd_id          PRD_002187 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002187 1 1 C   BOC 1 N  5A6 2 SING 1 ? ? ? 
PRD_002187 1 2 N18 5A6 2 CD GAU 3 SING 1 ? ? ? 
PRD_002187 1 3 C   5A6 2 N  ALC 4 SING 1 ? ? ? 
PRD_002187 1 4 N   GAU 3 C  ALC 4 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002187 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002187 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002187 1 1 BOC .   N Y 
PRD_002187 1 2 5A6 .   N Y 
PRD_002187 1 3 GAU GLU N Y 
PRD_002187 1 4 ALC ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002187 2015-08-31 .    "Create molecule" 
PRD_002187 2020-08-12 RCSB "Initial release" 
# 
data_PRD_002189
# 
_pdbx_reference_molecule.prd_id                       PRD_002189 
_pdbx_reference_molecule.name                         "tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H48 N6 O7" 
_pdbx_reference_molecule.formula_weight               592.727 
_pdbx_reference_molecule.chem_comp_id                 V64 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5DGJ 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002189 
_pdbx_reference_entity_subcomponents.seq            "BOC 5AR GAU ALC" 
_pdbx_reference_entity_subcomponents.chem_comp_id   V64 
# 
_pdbx_reference_entity_list.prd_id          PRD_002189 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002189 1 1 C   BOC 1 N35 5AR 2 SING 1 ? ? ? 
PRD_002189 1 2 N18 5AR 2 CD  GAU 3 SING 1 ? ? ? 
PRD_002189 1 3 C02 5AR 2 N   ALC 4 SING 1 ? ? ? 
PRD_002189 1 4 N   GAU 3 C   ALC 4 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002189 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002189 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002189 1 1 BOC .   N Y 
PRD_002189 1 2 5AR .   N Y 
PRD_002189 1 3 GAU GLU N Y 
PRD_002189 1 4 ALC ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002189 2015-08-31 .    "Create molecule" 
PRD_002189 2020-08-12 RCSB "Initial release" 
# 
data_PRD_002200
# 
_pdbx_reference_molecule.prd_id                       PRD_002200 
_pdbx_reference_molecule.name                         "Inhibitor BEZ-LEU-LEU" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C19 H28 N2 O4" 
_pdbx_reference_molecule.formula_weight               348.437 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5DZK 
# 
_pdbx_reference_entity_list.prd_id          PRD_002200 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002200 1 1 C BEZ 1 N LEU 2 sing 1 ? ? ? 
PRD_002200 1 2 C LEU 2 N LEU 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002200 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002200 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002200 1 1 BEZ .   N Y 
PRD_002200 1 2 LEU LEU N Y 
PRD_002200 1 3 LEU LEU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002200 2015-09-29 RCSB "Create molecule" 
PRD_002200 2016-02-17 RCSB "Initial release" 
# 
data_PRD_002201
# 
_pdbx_reference_molecule.prd_id                       PRD_002201 
_pdbx_reference_molecule.name                         "(phenylmethyl) ~{N}-[(8~{S},11~{S},14~{S})-8-(hydroxymethyl)-11-(2-methylpropyl)-5,10,13-tris(oxidanylidene)-1,4,9,12,17,18-hexazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H37 N7 O6" 
_pdbx_reference_molecule.formula_weight               543.615 
_pdbx_reference_molecule.chem_comp_id                 5LG 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5E0G 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002201 
_pdbx_reference_entity_subcomponents.seq            "PHQ 5LB GAU LEU" 
_pdbx_reference_entity_subcomponents.chem_comp_id   5LG 
# 
_pdbx_reference_entity_list.prd_id          PRD_002201 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002201 1 1 C1  PHQ 1 N29 5LB 2 SING 1 ? ? ? 
PRD_002201 1 2 N15 5LB 2 CD  GAU 3 SING 1 ? ? ? 
PRD_002201 1 3 C02 5LB 2 N   LEU 4 SING 1 ? ? ? 
PRD_002201 1 4 N   GAU 3 C   LEU 4 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002201 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002201 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002201 1 1 PHQ .   N Y 
PRD_002201 1 2 5LB .   N Y 
PRD_002201 1 3 GAU GLU N Y 
PRD_002201 1 4 LEU LEU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002201 2015-10-20 RCSB "Create molecule" 
PRD_002201 2016-05-04 RCSB "Initial release" 
# 
data_PRD_002202
# 
_pdbx_reference_molecule.prd_id                       PRD_002202 
_pdbx_reference_molecule.name                         "(phenylmethyl) ~{N}-[(9~{S},12~{S},15~{S})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H39 N7 O6" 
_pdbx_reference_molecule.formula_weight               557.642 
_pdbx_reference_molecule.chem_comp_id                 5LH 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5E0H 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002202 
_pdbx_reference_entity_subcomponents.seq            "PHQ 5LE LEU GAU" 
_pdbx_reference_entity_subcomponents.chem_comp_id   5LH 
# 
_pdbx_reference_entity_list.prd_id          PRD_002202 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002202 1 1 C1  PHQ 1 N25 5LE 2 SING 1 ? ? ? 
PRD_002202 1 2 C36 5LE 2 N   LEU 3 SING 1 ? ? ? 
PRD_002202 1 3 N16 5LE 2 CD  GAU 4 SING 1 ? ? ? 
PRD_002202 1 4 C   LEU 3 N   GAU 4 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002202 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002202 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002202 1 1 PHQ .   N Y 
PRD_002202 1 2 5LE .   N Y 
PRD_002202 1 3 LEU LEU N Y 
PRD_002202 1 4 GAU GLU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002202 2015-10-20 RCSB "Create molecule" 
PRD_002202 2016-05-04 RCSB "Initial release" 
# 
data_PRD_002203
# 
_pdbx_reference_molecule.prd_id                       PRD_002203 
_pdbx_reference_molecule.name                         "(phenylmethyl) ~{N}-[(12~{S},15~{S},18~{S})-15-(cyclohexylmethyl)-12-(hydroxymethyl)-9,14,17-tris(oxidanylidene)-1,8,13,16,21,22-hexazabicyclo[18.2.1]tricosa-20(23),21-dien-18-yl]carbamate" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C33 H49 N7 O6" 
_pdbx_reference_molecule.formula_weight               639.785 
_pdbx_reference_molecule.chem_comp_id                 5LJ 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5E0J 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002203 
_pdbx_reference_entity_subcomponents.seq            "PHQ 5LF ALC GAU" 
_pdbx_reference_entity_subcomponents.chem_comp_id   5LJ 
# 
_pdbx_reference_entity_list.prd_id          PRD_002203 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002203 1 1 C1  PHQ 1 N31 5LF 2 SING 1 ? ? ? 
PRD_002203 1 2 C42 5LF 2 N   ALC 3 SING 1 ? ? ? 
PRD_002203 1 3 N19 5LF 2 CD  GAU 4 SING 1 ? ? ? 
PRD_002203 1 4 C   ALC 3 N   GAU 4 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002203 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002203 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002203 1 1 PHQ .   N Y 
PRD_002203 1 2 5LF .   N Y 
PRD_002203 1 3 ALC ALA N Y 
PRD_002203 1 4 GAU GLU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002203 2015-10-20 RCSB "Create molecule" 
PRD_002203 2016-05-04 RCSB "Initial release" 
# 
data_PRD_002204
# 
_pdbx_reference_molecule.prd_id                       PRD_002204 
_pdbx_reference_molecule.name                         "HC Toxin" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H34 N4 O7" 
_pdbx_reference_molecule.formula_weight               454.517 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5EFJ 
# 
_pdbx_reference_entity_list.prd_id          PRD_002204 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002204 1 1 N 5OM 1 C DAL 4 SING 1 ? ? ? 
PRD_002204 1 2 C 5OM 1 N DPR 2 SING 1 ? ? ? 
PRD_002204 1 3 C DPR 2 N ALA 3 SING 1 ? ? ? 
PRD_002204 1 4 C ALA 3 N DAL 4 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002204 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002204 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002204 1 1 5OM .   N Y 
PRD_002204 1 2 DPR .   N Y 
PRD_002204 1 3 ALA ALA N Y 
PRD_002204 1 4 DAL .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002204 2015-10-29 RCSB "Create molecule"    
PRD_002204 2016-07-27 RCSB "Initial release"    
PRD_002204 2017-12-15 PDBE "Other modification" 
PRD_002204 2023-11-03 PDBE "Other modification" 
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Bipolaris zeicola" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002204 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 5017 
# 
data_PRD_002208
# 
_pdbx_reference_molecule.prd_id                       PRD_002208 
_pdbx_reference_molecule.name                         UNC3866 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C43 H66 N6 O8" 
_pdbx_reference_molecule.formula_weight               795.020 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5EPK 
# 
_pdbx_reference_entity_list.prd_id          PRD_002208 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002208 1 1 C1 5R0 1 N PHE 2 sing 1 ? ? ? 
PRD_002208 1 2 C  PHE 2 N ALA 3 sing 1 ? ? ? 
PRD_002208 1 3 C  ALA 3 N LEU 4 sing 1 ? ? ? 
PRD_002208 1 4 C  LEU 4 N ELY 5 sing 1 ? ? ? 
PRD_002208 1 5 C  ELY 5 N 5R5 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002208 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002208 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002208 1 1 5R0 .   N Y 
PRD_002208 1 2 PHE PHE N Y 
PRD_002208 1 3 ALA ALA N Y 
PRD_002208 1 4 LEU LEU N Y 
PRD_002208 1 5 ELY LYS N Y 
PRD_002208 1 6 5R5 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002208 2015-11-13 ?    "Create molecule"      
PRD_002208 2015-11-24 ?    "Modify molecule name" 
PRD_002208 2015-12-16 RCSB "Initial release"      
# 
data_PRD_002211
# 
_pdbx_reference_molecule.prd_id                       PRD_002211 
_pdbx_reference_molecule.name                         "(2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H30 N4 O4" 
_pdbx_reference_molecule.formula_weight               474.552 
_pdbx_reference_molecule.chem_comp_id                 E22 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5BPE 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002211 
_pdbx_reference_entity_subcomponents.seq            "TCA PHE 4UG" 
_pdbx_reference_entity_subcomponents.chem_comp_id   E22 
# 
_pdbx_reference_entity_list.prd_id          PRD_002211 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002211 1 1 C1 TCA 1 N  PHE 2 SING 1 ? ? ? 
PRD_002211 1 2 C  PHE 2 N3 4UG 3 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002211 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002211 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002211 1 1 TCA .   N Y 
PRD_002211 1 2 PHE PHE N Y 
PRD_002211 1 3 4UG .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002211 2015-11-18 PDBJ "Create molecule"      
PRD_002211 2015-11-25 PDBJ "Modify molecule name" 
PRD_002211 2015-11-25 PDBJ "Modify class"         
PRD_002211 2015-11-25 PDBJ "Modify type"          
PRD_002211 2015-12-09 RCSB "Initial release"      
# 
data_PRD_002214
# 
_pdbx_reference_molecule.prd_id                       PRD_002214 
_pdbx_reference_molecule.name                         "N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H48 N6 O8" 
_pdbx_reference_molecule.formula_weight               680.791 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5EU8 
# 
_pdbx_reference_entity_list.prd_id          PRD_002214 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002214 1 1 C 02J 1 N ALA 2 SING 1 ? ? ? 
PRD_002214 1 2 C ALA 2 N VAL 3 sing 1 ? ? ? 
PRD_002214 1 3 C VAL 3 N LEU 4 sing 1 ? ? ? 
PRD_002214 1 4 C LEU 4 N PJE 5 SING 1 ? ? ? 
PRD_002214 1 5 C PJE 5 O 010 6 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002214 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002214 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002214 1 1 02J .   N Y 
PRD_002214 1 2 ALA ALA N Y 
PRD_002214 1 3 VAL VAL N Y 
PRD_002214 1 4 LEU LEU N Y 
PRD_002214 1 5 PJE .   N Y 
PRD_002214 1 6 010 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002214 2015-11-24 PDBJ "Create molecule"    
PRD_002214 2015-12-02 RCSB "Initial release"    
PRD_002214 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002217
# 
_pdbx_reference_molecule.prd_id                       PRD_002217 
_pdbx_reference_molecule.name                         Ro-435054 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H27 N5 O7" 
_pdbx_reference_molecule.formula_weight               497.500 
_pdbx_reference_molecule.chem_comp_id                 5YB 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5HDB 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002217 
_pdbx_reference_entity_subcomponents.seq            "65K BAL ASP PHE" 
_pdbx_reference_entity_subcomponents.chem_comp_id   5YB 
# 
_pdbx_reference_entity_list.prd_id          PRD_002217 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002217 1 1 C26 65K 1 N BAL 2 SING 1 ? ? ? 
PRD_002217 1 2 C   BAL 2 N ASP 3 SING 1 ? ? ? 
PRD_002217 1 3 C   ASP 3 N PHE 4 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002217 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002217 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002217 1 1 65K .   N Y 
PRD_002217 1 2 BAL .   N Y 
PRD_002217 1 3 ASP ASP N Y 
PRD_002217 1 4 PHE PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002217 2016-01-27 RCSB "Create molecule" 
PRD_002217 2016-02-03 RCSB "Initial release" 
PRD_002217 2016-02-04 RCSB "Modify type"     
# 
data_PRD_002222
# 
_pdbx_reference_molecule.prd_id                       PRD_002222 
_pdbx_reference_molecule.name                         "peptide inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C38 H53 Br N7 O11 P" 
_pdbx_reference_molecule.formula_weight               894.745 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5DNJ 
# 
_pdbx_reference_entity_list.prd_id          PRD_002222 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002222 1 1 C1 707 1 N 56A 2 sing 1 ? ? ? 
PRD_002222 1 2 C  56A 2 N SER 3 sing 1 ? ? ? 
PRD_002222 1 3 C  SER 3 N TPO 4 sing 1 ? ? ? 
PRD_002222 1 4 C  TPO 4 N NH2 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002222 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002222 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002222 1 1 707 .   N Y 
PRD_002222 1 2 56A HIS N Y 
PRD_002222 1 3 SER SER N Y 
PRD_002222 1 4 TPO THR N Y 
PRD_002222 1 5 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002222 2016-02-16 PDBJ "Create molecule"    
PRD_002222 2016-02-17 PDBJ "Other modification" 
PRD_002222 2016-02-24 RCSB "Initial release"    
# 
data_PRD_002227
# 
_pdbx_reference_molecule.prd_id                       PRD_002227 
_pdbx_reference_molecule.name                         "(2R)-N-[2-[[(2S)-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-1,2-dihydropyrrole-2-carboxamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C13 H20 N6 O4" 
_pdbx_reference_molecule.formula_weight               324.336 
_pdbx_reference_molecule.chem_comp_id                 7YF 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5WXS 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002227 
_pdbx_reference_entity_subcomponents.seq            "7YL GLY RGL" 
_pdbx_reference_entity_subcomponents.chem_comp_id   7YF 
# 
_pdbx_reference_entity_list.prd_id          PRD_002227 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002227 1 1 C 7YL 1 N GLY 2 SING 1 ? ? ? 
PRD_002227 1 2 C GLY 2 N RGL 3 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002227 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002227 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002227 1 1 7YL .   N Y 
PRD_002227 1 2 GLY GLY N Y 
PRD_002227 1 3 RGL ARG N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002227 2017-02-15 PDBJ "Create molecule" 
PRD_002227 2017-02-23 PDBJ "Modify class"    
PRD_002227 2018-07-11 RCSB "Initial release" 
# 
data_PRD_002229
# 
_pdbx_reference_molecule.prd_id                       PRD_002229 
_pdbx_reference_molecule.name                         "(2R)-N-[2-[[(2S)-1-[[4-[bis(oxidanyl)amino]phenyl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C19 H28 N8 O6" 
_pdbx_reference_molecule.formula_weight               464.476 
_pdbx_reference_molecule.chem_comp_id                 7YR 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5WXT 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002229 
_pdbx_reference_entity_subcomponents.seq            "7YO GLY ARG NIT" 
_pdbx_reference_entity_subcomponents.chem_comp_id   7YR 
# 
_pdbx_reference_entity_list.prd_id          PRD_002229 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002229 1 1 C5 7YO 1 N  GLY 2 SING 1 ? ? ? 
PRD_002229 1 2 C  GLY 2 N  ARG 3 SING 1 ? ? ? 
PRD_002229 1 3 C  ARG 3 N1 NIT 4 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002229 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002229 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002229 1 1 7YO .   N Y 
PRD_002229 1 2 GLY GLY N Y 
PRD_002229 1 3 ARG ARG N Y 
PRD_002229 1 4 NIT .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002229 2017-02-16 PDBJ "Create molecule" 
PRD_002229 2017-02-23 PDBJ "Modify class"    
PRD_002229 2018-07-11 RCSB "Initial release" 
# 
data_PRD_002230
# 
_pdbx_reference_molecule.prd_id                       PRD_002230 
_pdbx_reference_molecule.name                         "pAMK, peptide inhibitor containing a phospho-serine" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C48 H81 N12 O18 P" 
_pdbx_reference_molecule.formula_weight               1145.200 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5FC2 
# 
_pdbx_reference_entity_list.prd_id          PRD_002230 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002230 1 1 C ASP 1 N LYS 2 sing 1 ? ? ? 
PRD_002230 1 2 C LYS 2 N SEP 3 sing 1 ? ? ? 
PRD_002230 1 3 C SEP 3 N ILE 4 sing 1 ? ? ? 
PRD_002230 1 4 C ILE 4 N GLU 5 sing 1 ? ? ? 
PRD_002230 1 5 C GLU 5 N VAL 6 sing 1 ? ? ? 
PRD_002230 1 6 C VAL 6 N GLY 7 sing 1 ? ? ? 
PRD_002230 1 7 C GLY 7 N ARG 8 sing 1 ? ? ? 
PRD_002230 1 8 C ARG 8 C 6L3 9 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002230 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002230 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002230 1 1 ASP ASP N Y 
PRD_002230 1 2 LYS LYS N Y 
PRD_002230 1 3 SEP SER N Y 
PRD_002230 1 4 ILE ILE N Y 
PRD_002230 1 5 GLU GLU N Y 
PRD_002230 1 6 VAL VAL N Y 
PRD_002230 1 7 GLY GLY N Y 
PRD_002230 1 8 ARG ARG N Y 
PRD_002230 1 9 6L3 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002230 2016-04-27 .    "Create molecule"    
PRD_002230 2016-05-04 RCSB "Initial release"    
PRD_002230 2017-12-15 PDBE "Other modification" 
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "synthetic construct" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002230 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 32630 
# 
data_PRD_002231
# 
_pdbx_reference_molecule.prd_id                       PRD_002231 
_pdbx_reference_molecule.name                         "circular peptide inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C43 H73 N15 O9 S2" 
_pdbx_reference_molecule.formula_weight               1008.265 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4ZJX 
# 
_pdbx_reference_entity_list.prd_id          PRD_002231 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002231 1 1 C  CYS 1 ND DAB 2 sing 1 ? ? ? 
PRD_002231 1 2 SG CYS 1 SG CYS 7 sing 1 ? ? ? 
PRD_002231 1 3 C  DAB 2 N  ARG 3 sing 1 ? ? ? 
PRD_002231 1 4 C  ARG 3 N  TRP 4 sing 1 ? ? ? 
PRD_002231 1 5 C  TRP 4 N  THR 5 sing 1 ? ? ? 
PRD_002231 1 6 C  THR 5 N  LYS 6 sing 1 ? ? ? 
PRD_002231 1 7 C  LYS 6 N  CYS 7 sing 1 ? ? ? 
PRD_002231 1 8 C  CYS 7 N  LEU 8 sing 1 ? ? ? 
PRD_002231 1 9 C  LEU 8 N  NH2 9 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002231 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002231 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002231 1 1 CYS CYS N Y 
PRD_002231 1 2 DAB ALA N Y 
PRD_002231 1 3 ARG ARG N Y 
PRD_002231 1 4 TRP TRP N Y 
PRD_002231 1 5 THR THR N Y 
PRD_002231 1 6 LYS LYS N Y 
PRD_002231 1 7 CYS CYS N Y 
PRD_002231 1 8 LEU LEU N Y 
PRD_002231 1 9 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002231 2016-04-27 RCSB "Create molecule" 
PRD_002231 2016-06-01 RCSB "Initial release" 
# 
data_PRD_002234
# 
_pdbx_reference_molecule.prd_id                       PRD_002234 
_pdbx_reference_molecule.name                         "Laspartomycin C" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Lipopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C57 H91 N12 O19" 
_pdbx_reference_molecule.formula_weight               1248.401 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5O0Z 
# 
_pdbx_reference_entity_list.prd_id          PRD_002234 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002234 1 1  C  9GE 1  N ASP 2  sing 1 ? ? ? 
PRD_002234 1 2  C  ASP 2  N DNP 3  sing 1 ? ? ? 
PRD_002234 1 3  NG DNP 3  C PRO 12 sing 1 ? ? ? 
PRD_002234 1 4  C  DNP 3  N CPI 4  sing 1 ? ? ? 
PRD_002234 1 5  C  CPI 4  N GLY 5  sing 1 ? ? ? 
PRD_002234 1 6  C  GLY 5  N ASP 6  sing 1 ? ? ? 
PRD_002234 1 7  C  ASP 6  N GLY 7  sing 1 ? ? ? 
PRD_002234 1 8  C  GLY 7  N ASP 8  sing 1 ? ? ? 
PRD_002234 1 9  C  ASP 8  N GLY 9  sing 1 ? ? ? 
PRD_002234 1 10 C  GLY 9  N 2TL 10 sing 1 ? ? ? 
PRD_002234 1 11 C  2TL 10 N ILE 11 sing 1 ? ? ? 
PRD_002234 1 12 C  ILE 11 N PRO 12 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002234 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002234 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002234 1 1  9GE .   N Y 
PRD_002234 1 2  ASP ASP N Y 
PRD_002234 1 3  DNP ALA N Y 
PRD_002234 1 4  CPI .   N Y 
PRD_002234 1 5  GLY GLY N Y 
PRD_002234 1 6  ASP ASP N Y 
PRD_002234 1 7  GLY GLY N Y 
PRD_002234 1 8  ASP ASP N Y 
PRD_002234 1 9  GLY GLY N Y 
PRD_002234 1 10 2TL .   N Y 
PRD_002234 1 11 ILE ILE N Y 
PRD_002234 1 12 PRO PRO N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002234 2017-12-01 PDBE "Create molecule" 
PRD_002234 2024-08-07 RCSB "Initial release" 
# 
data_PRD_002237
# 
_pdbx_reference_molecule.prd_id                       PRD_002237 
_pdbx_reference_molecule.name                         "(2R,4R)-4-{[(2-{(1R,3R)-1-(acetyloxy)-4-methyl-3-[methyl(N-{[(2S)-1-methylpiperidin-2-yl]carbonyl}-D-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C38 H57 N5 O7 S" 
_pdbx_reference_molecule.formula_weight               727.953 
_pdbx_reference_molecule.chem_comp_id                 55Q 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   4ZOL 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002237 
_pdbx_reference_entity_subcomponents.seq            "APP DIL 55N BB9 55P" 
_pdbx_reference_entity_subcomponents.chem_comp_id   55Q 
# 
_pdbx_reference_entity_list.prd_id          PRD_002237 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002237 1 1 "C'" APP 1 N   DIL 2 SING 1 ? ? ? 
PRD_002237 1 2 C    DIL 2 NAP 55N 3 SING 1 ? ? ? 
PRD_002237 1 3 CAY  55N 3 SG  BB9 4 SING 1 ? ? ? 
PRD_002237 1 4 CAY  55N 3 N   BB9 4 DOUB 1 ? ? ? 
PRD_002237 1 5 C    BB9 4 NBI 55P 5 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002237 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002237 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002237 1 1 APP .   N Y 
PRD_002237 1 2 DIL .   N Y 
PRD_002237 1 3 55N .   N Y 
PRD_002237 1 4 BB9 CYS N Y 
PRD_002237 1 5 55P .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002237 2016-07-05 .    "Create molecule" 
PRD_002237 2016-07-27 RCSB "Initial release" 
# 
data_PRD_002239
# 
_pdbx_reference_molecule.prd_id                       PRD_002239 
_pdbx_reference_molecule.name                         " Peptide Inhibitor BTN-VLTK-AOMK" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H57 N7 O7 S" 
_pdbx_reference_molecule.formula_weight               683.903 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5L20 
# 
_pdbx_reference_entity_list.prd_id          PRD_002239 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002239 1 1 C11 BTN 1 N VAL 2 sing 1 ? ? ? 
PRD_002239 1 2 C   VAL 2 N LEU 3 sing 1 ? ? ? 
PRD_002239 1 3 C   LEU 3 N THR 4 sing 1 ? ? ? 
PRD_002239 1 4 C   THR 4 N CKC 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002239 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002239 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002239 1 1 BTN .   N Y 
PRD_002239 1 2 VAL VAL N Y 
PRD_002239 1 3 LEU LEU N Y 
PRD_002239 1 4 THR THR N Y 
PRD_002239 1 5 CKC .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002239 2016-08-04 .    "Create molecule"    
PRD_002239 2017-08-02 RCSB "Initial release"    
PRD_002239 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002240
# 
_pdbx_reference_molecule.prd_id                       PRD_002240 
_pdbx_reference_molecule.name                         "18-methoxy-2,11,17-trimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H44 N4 O6" 
_pdbx_reference_molecule.formula_weight               556.694 
_pdbx_reference_molecule.chem_comp_id                 838 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5TA4 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002240 
_pdbx_reference_entity_subcomponents.seq            "78O VAL ALA" 
_pdbx_reference_entity_subcomponents.chem_comp_id   838 
# 
_pdbx_reference_entity_list.prd_id          PRD_002240 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002240 1 1 C23 78O 1 N VAL 2 SING 1 ? ? ? 
PRD_002240 1 2 N1  78O 1 C ALA 3 SING 1 ? ? ? 
PRD_002240 1 3 C   VAL 2 N ALA 3 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002240 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002240 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002240 1 1 78O .   N Y 
PRD_002240 1 2 VAL VAL N Y 
PRD_002240 1 3 ALA ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002240 2016-09-12 ?    "Create molecule"      
PRD_002240 2016-09-13 ?    "Modify molecule name" 
PRD_002240 2017-01-17 ?    "Modify molecule name" 
PRD_002240 2017-01-25 RCSB "Initial release"      
# 
data_PRD_002241
# 
_pdbx_reference_molecule.prd_id                       PRD_002241 
_pdbx_reference_molecule.name                         "3-[(3-hydroxyphenyl)methyl]-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H42 N4 O6" 
_pdbx_reference_molecule.formula_weight               554.678 
_pdbx_reference_molecule.chem_comp_id                 78E 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5T9W 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002241 
_pdbx_reference_entity_subcomponents.seq            "78D VAL MTY" 
_pdbx_reference_entity_subcomponents.chem_comp_id   78E 
# 
_pdbx_reference_entity_list.prd_id          PRD_002241 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002241 1 1 C15 78D 1 N VAL 2 SING 1 ? ? ? 
PRD_002241 1 2 N1  78D 1 C MTY 3 SING 1 ? ? ? 
PRD_002241 1 3 C   VAL 2 N MTY 3 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002241 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002241 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002241 1 1 78D .   N Y 
PRD_002241 1 2 VAL VAL N Y 
PRD_002241 1 3 MTY TYR N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002241 2016-09-12 ?    "Create molecule"      
PRD_002241 2017-01-18 ?    "Modify molecule name" 
PRD_002241 2017-01-25 RCSB "Initial release"      
# 
data_PRD_002245
# 
_pdbx_reference_molecule.prd_id                       PRD_002245 
_pdbx_reference_molecule.name                         "11-[(3-hydroxyphenyl)methyl]-18-methoxy-17-methyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H46 N4 O7" 
_pdbx_reference_molecule.formula_weight               634.762 
_pdbx_reference_molecule.chem_comp_id                 78R 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5T9Z 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002245 
_pdbx_reference_entity_subcomponents.seq            "78Q VAL MTY" 
_pdbx_reference_entity_subcomponents.chem_comp_id   78R 
# 
_pdbx_reference_entity_list.prd_id          PRD_002245 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002245 1 1 N1  78Q 1 C MTY 3 SING 1 ? ? ? 
PRD_002245 1 2 C23 78Q 1 N VAL 2 SING 1 ? ? ? 
PRD_002245 1 3 C   VAL 2 N MTY 3 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002245 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002245 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002245 1 1 78Q .   N Y 
PRD_002245 1 2 VAL VAL N Y 
PRD_002245 1 3 MTY TYR N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002245 2016-09-12 ?    "Create molecule"      
PRD_002245 2017-01-18 ?    "Modify molecule name" 
PRD_002245 2017-01-25 RCSB "Initial release"      
# 
data_PRD_002246
# 
_pdbx_reference_molecule.prd_id                       PRD_002246 
_pdbx_reference_molecule.name                         "11-[(3-hydroxyphenyl)methyl]-18-methoxy-2,17-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H48 N4 O7" 
_pdbx_reference_molecule.formula_weight               648.789 
_pdbx_reference_molecule.chem_comp_id                 78X 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5TA2 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002246 
_pdbx_reference_entity_subcomponents.seq            "78O MTY VAL" 
_pdbx_reference_entity_subcomponents.chem_comp_id   78X 
# 
_pdbx_reference_entity_list.prd_id          PRD_002246 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002246 1 1 N1  78O 1 C MTY 2 SING 1 ? ? ? 
PRD_002246 1 2 C23 78O 1 N VAL 3 SING 1 ? ? ? 
PRD_002246 1 3 N   MTY 2 C VAL 3 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002246 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002246 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002246 1 1 78O .   N Y 
PRD_002246 1 2 MTY TYR N Y 
PRD_002246 1 3 VAL VAL N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002246 2016-09-12 ?    "Create molecule"      
PRD_002246 2017-01-18 ?    "Modify molecule name" 
PRD_002246 2017-01-25 RCSB "Initial release"      
# 
data_PRD_002248
# 
_pdbx_reference_molecule.prd_id                       PRD_002248 
_pdbx_reference_molecule.name                         "(4S,7S,17R)-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H43 N3 O5" 
_pdbx_reference_molecule.formula_weight               441.605 
_pdbx_reference_molecule.chem_comp_id                 V69 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5TG2 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002248 
_pdbx_reference_entity_subcomponents.seq            "7C2 LEU GAU" 
_pdbx_reference_entity_subcomponents.chem_comp_id   V69 
# 
_pdbx_reference_entity_list.prd_id          PRD_002248 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002248 1 1 N29 7C2 1 CD GAU 3 SING 1 ? ? ? 
PRD_002248 1 2 C08 7C2 1 N  LEU 2 SING 1 ? ? ? 
PRD_002248 1 3 C   LEU 2 N  GAU 3 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002248 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002248 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002248 1 1 7C2 .   N Y 
PRD_002248 1 2 LEU LEU N Y 
PRD_002248 1 3 GAU GLU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002248 2016-10-03 .    "Create molecule" 
PRD_002248 2017-01-11 RCSB "Initial release" 
# 
data_PRD_002249
# 
_pdbx_reference_molecule.prd_id                       PRD_002249 
_pdbx_reference_molecule.name                         "(4S,7S,17S)-17-(3-chlorophenyl)-7-(hydroxymethyl)-4-(2-methylpropyl)-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H36 Cl N3 O5" 
_pdbx_reference_molecule.formula_weight               482.013 
_pdbx_reference_molecule.chem_comp_id                 V56 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5TG1 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002249 
_pdbx_reference_entity_subcomponents.seq            "7C0 LEU GAU" 
_pdbx_reference_entity_subcomponents.chem_comp_id   V56 
# 
_pdbx_reference_entity_list.prd_id          PRD_002249 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002249 1 1 N17 7C0 1 CD GAU 3 SING 1 ? ? ? 
PRD_002249 1 2 C02 7C0 1 N  LEU 2 SING 1 ? ? ? 
PRD_002249 1 3 C   LEU 2 N  GAU 3 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002249 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002249 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002249 1 1 7C0 .   N Y 
PRD_002249 1 2 LEU LEU N Y 
PRD_002249 1 3 GAU GLU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002249 2016-10-03 .    "Create molecule" 
PRD_002249 2017-01-11 RCSB "Initial release" 
# 
data_PRD_002250
# 
_pdbx_reference_molecule.prd_id                       PRD_002250 
_pdbx_reference_molecule.name                         " N,N-diethyl-N~2~-(3-phenylpropanoyl)-L-asparaginyl-O-methyl-N-[(naphthalen-1-yl)methyl]-L-serinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H40 N4 O5" 
_pdbx_reference_molecule.formula_weight               560.684 
_pdbx_reference_molecule.chem_comp_id                 7C7 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5THO 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002250 
_pdbx_reference_entity_subcomponents.seq            "HCI 7CC 7C9 7CD" 
_pdbx_reference_entity_subcomponents.chem_comp_id   7C7 
# 
_pdbx_reference_entity_list.prd_id          PRD_002250 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002250 1 1 C1 HCI 1 N   7CC 2 sing 1 ? ? ? 
PRD_002250 1 2 C  7CC 2 N   7C9 3 SING 1 ? ? ? 
PRD_002250 1 3 C  7C9 3 N06 7CD 4 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002250 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002250 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002250 1 1 HCI . N Y 
PRD_002250 1 2 7CC . N Y 
PRD_002250 1 3 7C9 . N Y 
PRD_002250 1 4 7CD . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002250 2016-10-03 .    "Create molecule"    
PRD_002250 2020-08-12 RCSB "Initial release"    
PRD_002250 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002251
# 
_pdbx_reference_molecule.prd_id                       PRD_002251 
_pdbx_reference_molecule.name                         "3-[(3-hydroxyphenyl)methyl]-10,12-dimethoxy-9,11-dimethyl-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C34 H50 N4 O8" 
_pdbx_reference_molecule.formula_weight               642.783 
_pdbx_reference_molecule.chem_comp_id                 7HG 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5T9U 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002251 
_pdbx_reference_entity_subcomponents.seq            "78F VAL MTY" 
_pdbx_reference_entity_subcomponents.chem_comp_id   7HG 
# 
_pdbx_reference_entity_list.prd_id          PRD_002251 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002251 1 1 N2  78F 1 C11 MTY 3 SING 1 ? ? ? 
PRD_002251 1 2 C30 78F 1 N   VAL 2 SING 1 ? ? ? 
PRD_002251 1 3 C   VAL 2 N4  MTY 3 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002251 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002251 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002251 1 1 78F .   N Y 
PRD_002251 1 2 VAL VAL N Y 
PRD_002251 1 3 MTY TYR N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002251 2016-10-17 RCSB "Create molecule"      
PRD_002251 2017-01-18 RCSB "Modify molecule name" 
PRD_002251 2017-01-25 RCSB "Initial release"      
PRD_002251 2017-05-04 RCSB "Other modification"   
# 
data_PRD_002252
# 
_pdbx_reference_molecule.prd_id                       PRD_002252 
_pdbx_reference_molecule.name                         "N,N-diethyl-N~2~-[(2E)-3-phenylprop-2-enoyl]-L-asparaginyl-4-fluoro-N-[(naphthalen-1-yl)methyl]-L-phenylalaninamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Non-polymer 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C37 H39 F N4 O4" 
_pdbx_reference_molecule.formula_weight               622.728 
_pdbx_reference_molecule.chem_comp_id                 7HJ 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5TRG 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002252 
_pdbx_reference_entity_subcomponents.seq            "TCA 7CC PFF 7CD" 
_pdbx_reference_entity_subcomponents.chem_comp_id   7HJ 
# 
_pdbx_reference_entity_list.prd_id          PRD_002252 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002252 1 1 C1 TCA 1 N   7CC 2 SING 1 ? ? ? 
PRD_002252 1 2 C  7CC 2 N   PFF 3 SING 1 ? ? ? 
PRD_002252 1 3 C  PFF 3 N06 7CD 4 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002252 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002252 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002252 1 1 TCA .   N Y 
PRD_002252 1 2 7CC .   N Y 
PRD_002252 1 3 PFF PHE N Y 
PRD_002252 1 4 7CD .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002252 2016-11-01 .    "Create molecule"    
PRD_002252 2020-08-12 RCSB "Initial release"    
PRD_002252 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002253
# 
_pdbx_reference_molecule.prd_id                       PRD_002253 
_pdbx_reference_molecule.name                         "(2S)-N-{(2S)-3-methoxy-1-[(naphthalen-1-ylmethyl)amino]-1-oxopropan-2-yl}-4-oxo-2-[(3-phenylpropanoyl)amino]-4-(1H-pyrrol-1-yl)butanamide (non-preferred name)" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Non-polymer 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H34 N4 O5" 
_pdbx_reference_molecule.formula_weight               554.636 
_pdbx_reference_molecule.chem_comp_id                 7J1 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5TS0 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002253 
_pdbx_reference_entity_subcomponents.seq            "HCI ASM 7C9 7CD" 
_pdbx_reference_entity_subcomponents.chem_comp_id   7J1 
# 
_pdbx_reference_entity_list.prd_id          PRD_002253 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002253 1 1 C1 HCI 1 N   ASM 2 SING 1 ? ? ? 
PRD_002253 1 2 C  ASM 2 N   7C9 3 SING 1 ? ? ? 
PRD_002253 1 3 C  7C9 3 N06 7CD 4 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002253 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002253 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002253 1 1 HCI . N Y 
PRD_002253 1 2 ASM . N Y 
PRD_002253 1 3 7C9 . N Y 
PRD_002253 1 4 7CD . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002253 2016-11-01 .    "Create molecule"    
PRD_002253 2017-01-11 RCSB "Initial release"    
PRD_002253 2017-05-04 RCSB "Other modification" 
PRD_002253 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002254
# 
_pdbx_reference_molecule.prd_id                       PRD_002254 
_pdbx_reference_molecule.name                         "(2~{S})-~{N}-[(2~{S})-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-2-(3-phenylpropanoylamino)-4-piperidin-1-yl-butanamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Non-polymer 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C33 H40 N4 O5" 
_pdbx_reference_molecule.formula_weight               572.694 
_pdbx_reference_molecule.chem_comp_id                 7J0 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5TRY 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002254 
_pdbx_reference_entity_subcomponents.seq            "HCI 7J3 7C9 7CD" 
_pdbx_reference_entity_subcomponents.chem_comp_id   7J0 
# 
_pdbx_reference_entity_list.prd_id          PRD_002254 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002254 1 1 C1  HCI 1 N32 7J3 2 SING 1 ? ? ? 
PRD_002254 1 2 C02 7J3 2 N   7C9 3 SING 1 ? ? ? 
PRD_002254 1 3 C   7C9 3 N06 7CD 4 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002254 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002254 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002254 1 1 HCI . N Y 
PRD_002254 1 2 7J3 . N Y 
PRD_002254 1 3 7C9 . N Y 
PRD_002254 1 4 7CD . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002254 2016-11-01 .    "Create molecule"    
PRD_002254 2017-01-11 RCSB "Initial release"    
PRD_002254 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002255
# 
_pdbx_reference_molecule.prd_id                       PRD_002255 
_pdbx_reference_molecule.name                         "N,N-diethyl-N~2~-(3-phenylpropanoyl)-L-asparaginyl-N-[(naphthalen-1-yl)methyl]-L-alaninamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Non-polymer 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H38 N4 O4" 
_pdbx_reference_molecule.formula_weight               530.658 
_pdbx_reference_molecule.chem_comp_id                 7HY 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5TRR 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002255 
_pdbx_reference_entity_subcomponents.seq            "HCI 7CC ALA 7CD" 
_pdbx_reference_entity_subcomponents.chem_comp_id   7HY 
# 
_pdbx_reference_entity_list.prd_id          PRD_002255 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002255 1 1 C1 HCI 1 N   7CC 2 SING 1 ? ? ? 
PRD_002255 1 2 C  7CC 2 N   ALA 3 SING 1 ? ? ? 
PRD_002255 1 3 C  ALA 3 N06 7CD 4 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002255 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002255 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002255 1 1 HCI .   N Y 
PRD_002255 1 2 7CC .   N Y 
PRD_002255 1 3 ALA ALA N Y 
PRD_002255 1 4 7CD .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002255 2016-11-01 .    "Create molecule"    
PRD_002255 2020-08-12 RCSB "Initial release"    
PRD_002255 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002256
# 
_pdbx_reference_molecule.prd_id                       PRD_002256 
_pdbx_reference_molecule.name                         "N-tert-butoxy-N~2~-(5-methyl-1,2-oxazole-3-carbonyl)-L-asparaginyl-O-methyl-N-[(naphthalen-1-yl)methyl]-L-serinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Non-polymer 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H35 N5 O7" 
_pdbx_reference_molecule.formula_weight               553.607 
_pdbx_reference_molecule.chem_comp_id                 7HZ 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5TRS 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002256 
_pdbx_reference_entity_subcomponents.seq            "02J 7J4 7C9 7CD" 
_pdbx_reference_entity_subcomponents.chem_comp_id   7HZ 
# 
_pdbx_reference_entity_list.prd_id          PRD_002256 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002256 1 1 C   02J 1 N32 7J4 2 SING 1 ? ? ? 
PRD_002256 1 2 C02 7J4 2 N   7C9 3 SING 1 ? ? ? 
PRD_002256 1 3 C   7C9 3 N06 7CD 4 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002256 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002256 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002256 1 1 02J . N Y 
PRD_002256 1 2 7J4 . N Y 
PRD_002256 1 3 7C9 . N Y 
PRD_002256 1 4 7CD . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002256 2016-11-01 .    "Create molecule"    
PRD_002256 2017-01-11 RCSB "Initial release"    
PRD_002256 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002257
# 
_pdbx_reference_molecule.prd_id                       PRD_002257 
_pdbx_reference_molecule.name                         Globomycin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         ? 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        ? 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H57 N5 O9" 
_pdbx_reference_molecule.formula_weight               655.823 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5DIR 
# 
_pdbx_reference_entity_list.prd_id          PRD_002257 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002257 1 1 N MLE 1 C 5BV 5 sing 1 ? ? ? 
PRD_002257 1 2 C MLE 1 N IIL 2 sing 1 ? ? ? 
PRD_002257 1 3 C IIL 2 N SER 3 sing 1 ? ? ? 
PRD_002257 1 4 C SER 3 N ALO 4 sing 1 ? ? ? 
PRD_002257 1 5 C ALO 4 N 5BV 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002257 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002257 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002257 1 1 MLE LEU N Y 
PRD_002257 1 2 IIL ILE N Y 
PRD_002257 1 3 SER SER N Y 
PRD_002257 1 4 ALO THR N Y 
PRD_002257 1 5 5BV .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002257 2019-08-22 PDBE "Create molecule"    
PRD_002257 2019-08-28 RCSB "Initial release"    
PRD_002257 2019-09-17 PDBE "Other modification" 
PRD_002257 2023-09-20 PDBE "Modify audit"       
PRD_002257 2023-11-03 PDBE "Other modification" 
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces hagronensis" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002257 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 ? 
# 
data_PRD_002261
# 
_pdbx_reference_molecule.prd_id                       PRD_002261 
_pdbx_reference_molecule.name                         "STAPLED PEPTIDE FROM DOMAIN B OF PROTEIN A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C92 H138 N27 O24 S" 
_pdbx_reference_molecule.formula_weight               2038.312 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "stapled peptide  derived from the B-domain of protein A bound to IgG1 Fc" 
_pdbx_reference_molecule.description                  "single helix from the B-domain of protein A bound to IgG1 Fc" 
_pdbx_reference_molecule.representative_PDB_id_code   5U66 
# 
_pdbx_reference_entity_list.prd_id          PRD_002261 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002261 1 1  C1 SIN 1  N  PHE 2  sing 1 ? ? ? 
PRD_002261 1 2  C  PHE 2  N  ASN 3  sing 1 ? ? ? 
PRD_002261 1 3  C  ASN 3  N  MET 4  sing 1 ? ? ? 
PRD_002261 1 4  C  MET 4  N  85J 5  sing 1 ? ? ? 
PRD_002261 1 5  C  85J 5  N  GLN 6  sing 1 ? ? ? 
PRD_002261 1 6  CI 85J 5  CK 85G 12 doub 1 ? ? ? 
PRD_002261 1 7  C  GLN 6  N  GLN 7  sing 1 ? ? ? 
PRD_002261 1 8  C  GLN 7  N  ARG 8  sing 1 ? ? ? 
PRD_002261 1 9  C  ARG 8  N  ARG 9  sing 1 ? ? ? 
PRD_002261 1 10 C  ARG 9  N  PHE 10 sing 1 ? ? ? 
PRD_002261 1 11 C  PHE 10 N  TYR 11 sing 1 ? ? ? 
PRD_002261 1 12 C  TYR 11 N  85G 12 sing 1 ? ? ? 
PRD_002261 1 13 C  85G 12 N  ALA 13 sing 1 ? ? ? 
PRD_002261 1 14 C  ALA 13 N  LEU 14 sing 1 ? ? ? 
PRD_002261 1 15 C  LEU 14 N  HIS 15 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002261 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002261 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002261 1 1  SIN .   N Y 
PRD_002261 1 2  PHE PHE N Y 
PRD_002261 1 3  ASN ASN N Y 
PRD_002261 1 4  MET MET N Y 
PRD_002261 1 5  85J .   N Y 
PRD_002261 1 6  GLN GLN N Y 
PRD_002261 1 7  GLN GLN N Y 
PRD_002261 1 8  ARG ARG N Y 
PRD_002261 1 9  ARG ARG N Y 
PRD_002261 1 10 PHE PHE N Y 
PRD_002261 1 11 TYR TYR N Y 
PRD_002261 1 12 85G .   N Y 
PRD_002261 1 13 ALA ALA N Y 
PRD_002261 1 14 LEU LEU N Y 
PRD_002261 1 15 HIS HIS N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002261 2017-01-05 ?    "Create molecule"      
PRD_002261 2017-05-18 ?    "Modify molecule name" 
PRD_002261 2017-05-24 RCSB "Initial release"      
# 
data_PRD_002263
# 
_pdbx_reference_molecule.prd_id                       PRD_002263 
_pdbx_reference_molecule.name                         "N-[(1S)-1-cyclohexyl-2-{[3-(morpholin-4-yl)propanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H47 N5 O4 S" 
_pdbx_reference_molecule.formula_weight               585.801 
_pdbx_reference_molecule.chem_comp_id                 8B1 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5UFI 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002263 
_pdbx_reference_entity_subcomponents.seq            "8AS 8AV 8AY PPI" 
_pdbx_reference_entity_subcomponents.chem_comp_id   8B1 
# 
_pdbx_reference_entity_list.prd_id          PRD_002263 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002263 1 1 C13 8AS 1 N2 8AV 2 SING 1 ? ? ? 
PRD_002263 1 2 N1  8AV 2 C  8AY 3 SING 1 ? ? ? 
PRD_002263 1 3 N   8AY 3 C1 PPI 4 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002263 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002263 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002263 1 1 8AS .   N Y 
PRD_002263 1 2 8AV .   N Y 
PRD_002263 1 3 8AY ALA N Y 
PRD_002263 1 4 PPI .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002263 2017-01-19 RCSB "Create molecule" 
PRD_002263 2017-11-01 RCSB "Initial release" 
# 
data_PRD_002267
# 
_pdbx_reference_molecule.prd_id                       PRD_002267 
_pdbx_reference_molecule.name                         D-Arg4,Leu10-Teixobactin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C59 H101 N14 O14" 
_pdbx_reference_molecule.formula_weight               1230.519 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6YFY 
# 
_pdbx_reference_entity_list.prd_id          PRD_002267 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002267 1 1  C   ZAE 1  N ILE 2  sing 1 ? ? ? 
PRD_002267 1 2  C   ILE 2  N SER 3  sing 1 ? ? ? 
PRD_002267 1 3  C   SER 3  N DAR 4  sing 1 ? ? ? 
PRD_002267 1 4  C   DAR 4  N 28J 5  sing 1 ? ? ? 
PRD_002267 1 5  C   28J 5  N ILE 6  sing 1 ? ? ? 
PRD_002267 1 6  C   ILE 6  N SER 7  sing 1 ? ? ? 
PRD_002267 1 7  C   SER 7  N DTH 8  sing 1 ? ? ? 
PRD_002267 1 8  OG1 DTH 8  C ILE 11 sing 1 ? ? ? 
PRD_002267 1 9  C   DTH 8  N ALA 9  sing 1 ? ? ? 
PRD_002267 1 10 C   ALA 9  N LEU 10 sing 1 ? ? ? 
PRD_002267 1 11 C   LEU 10 N ILE 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002267 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002267 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002267 1 1  ZAE .   N Y 
PRD_002267 1 2  ILE ILE N Y 
PRD_002267 1 3  SER SER N Y 
PRD_002267 1 4  DAR .   N Y 
PRD_002267 1 5  28J .   N Y 
PRD_002267 1 6  ILE ILE N Y 
PRD_002267 1 7  SER SER N Y 
PRD_002267 1 8  DTH .   N Y 
PRD_002267 1 9  ALA ALA N Y 
PRD_002267 1 10 LEU LEU N Y 
PRD_002267 1 11 ILE ILE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002267 2020-06-04 .    "Create molecule" 
PRD_002267 2020-08-19 RCSB "Initial release" 
# 
data_PRD_002268
# 
_pdbx_reference_molecule.prd_id                       PRD_002268 
_pdbx_reference_molecule.name                         "Lipid II" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Glycopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Glycan component" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C54 H93 N8 O26 P2" 
_pdbx_reference_molecule.formula_weight               1332.302 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Lipid II is a precursor molecule in the synthesis of the cell wall of bacteria" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6YFY 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002268 1 1 polymer     .   
PRD_002268 2 2 non-polymer 2HP 
PRD_002268 2 3 non-polymer 2HP 
PRD_002268 3 4 non-polymer P1W 
PRD_002268 3 5 non-polymer P1W 
PRD_002268 3 6 non-polymer P1W 
PRD_002268 4 7 non-polymer MUB 
PRD_002268 5 8 non-polymer NAG 
# 
loop_
_pdbx_reference_entity_nonpoly.prd_id 
_pdbx_reference_entity_nonpoly.ref_entity_id 
_pdbx_reference_entity_nonpoly.name 
_pdbx_reference_entity_nonpoly.chem_comp_id 
_pdbx_reference_entity_nonpoly.details 
PRD_002268 2 "DIHYDROGENPHOSPHATE ION" 2HP ? 
PRD_002268 3 3-methylbut-2-en-1-ol     P1W ? 
PRD_002268 4 "N-ACETYLMURAMIC ACID"    MUB ? 
PRD_002268 5 N-ACETYL-D-GLUCOSAMINE    NAG ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_002268 1 PN 1 1 ALA N  4 . MUB C10 sing 1 7 . ? ? 
PRD_002268 2 NN 2 . 2HP P  4 . MUB O1  sing 2 7 . ? ? 
PRD_002268 3 NN 2 . 2HP O4 2 . 2HP P   sing 2 3 . ? ? 
PRD_002268 4 NN 2 . 2HP O4 3 . P1W C1  sing 3 4 . ? ? 
PRD_002268 5 NN 3 . P1W C4 3 . P1W C1  sing 4 5 . ? ? 
PRD_002268 6 NN 3 . P1W C4 3 . P1W C1  sing 5 6 . ? ? 
PRD_002268 7 NN 4 . MUB O4 5 . NAG C1  sing 7 8 . ? ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002268 1 1 C  ALA 1 N DGL 2 sing 1 ? ? ? 
PRD_002268 1 2 CD DGL 2 N LYS 3 sing 1 ? ? ? 
PRD_002268 1 3 C  LYS 3 N DAL 4 sing 1 ? ? ? 
PRD_002268 1 4 C  DAL 4 N DAL 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002268 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002268 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002268 1 1 ALA ALA N Y 
PRD_002268 1 2 DGL .   N Y 
PRD_002268 1 3 LYS LYS N Y 
PRD_002268 1 4 DAL .   N Y 
PRD_002268 1 5 DAL .   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_002268 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1286 
_pdbx_reference_entity_src_nat.organism_scientific   "Staphylococcus simulans" 
_pdbx_reference_entity_src_nat.source                . 
_pdbx_reference_entity_src_nat.db_code               . 
_pdbx_reference_entity_src_nat.db_name               . 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002268 2020-06-04 PDBE "Create molecule" 
PRD_002268 2020-08-10 PDBE "Modify class"    
PRD_002268 2020-08-19 RCSB "Initial release" 
PRD_002268 2023-06-11 RCSB "Modify audit"    
# 
data_PRD_002270
# 
_pdbx_reference_molecule.prd_id                       PRD_002270 
_pdbx_reference_molecule.name                         "inhibitor MM-589" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H44 N8 O5" 
_pdbx_reference_molecule.formula_weight               572.700 
_pdbx_reference_molecule.chem_comp_id                 9BA 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5VFC 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002270 
_pdbx_reference_entity_subcomponents.seq            "NMM ABA 9BP PG9" 
_pdbx_reference_entity_subcomponents.chem_comp_id   9BA 
# 
_pdbx_reference_entity_list.prd_id          PRD_002270 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002270 1 1 N NMM 1 C9 9BP 3 SING 1 ? ? ? 
PRD_002270 1 2 C NMM 1 N  ABA 2 SING 1 ? ? ? 
PRD_002270 1 3 C ABA 2 N  PG9 4 SING 1 ? ? ? 
PRD_002270 1 4 N 9BP 3 C  PG9 4 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002270 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002270 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002270 1 1 NMM ARG N Y 
PRD_002270 1 2 ABA ALA N Y 
PRD_002270 1 3 9BP .   N Y 
PRD_002270 1 4 PG9 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002270 2017-04-17 RCSB "Create molecule"    
PRD_002270 2017-06-28 RCSB "Initial release"    
PRD_002270 2020-06-21 RCSB "Other modification" 
# 
data_PRD_002272
# 
_pdbx_reference_molecule.prd_id                       PRD_002272 
_pdbx_reference_molecule.name                         "Capreomycin 1B" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H44 N14 O7" 
_pdbx_reference_molecule.formula_weight               652.706 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5V93 
# 
_pdbx_reference_entity_list.prd_id          PRD_002272 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         "Capreomycin 1B" 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002272 1 1 C KBE 1 NG DPP 2 sing 1 ? ? ? 
PRD_002272 1 2 N DPP 2 C  ALA 6 sing 1 ? ? ? 
PRD_002272 1 3 C DPP 2 N  UAL 3 sing 1 ? ? ? 
PRD_002272 1 4 C UAL 3 N  MYN 4 sing 1 ? ? ? 
PRD_002272 1 5 C MYN 4 NG DPP 5 sing 1 ? ? ? 
PRD_002272 1 6 C DPP 5 N  ALA 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002272 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00639 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002272 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002272 1 1 KBE LYS N Y 
PRD_002272 1 2 DPP ALA N Y 
PRD_002272 1 3 UAL .   N Y 
PRD_002272 1 4 MYN ARG N Y 
PRD_002272 1 5 DPP ALA N Y 
PRD_002272 1 6 ALA ALA N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_002272 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 67351 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces puniceus" 
_pdbx_reference_entity_src_nat.source                . 
_pdbx_reference_entity_src_nat.db_code               . 
_pdbx_reference_entity_src_nat.db_name               . 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002272 2017-05-19 RCSB "Create molecule" 
PRD_002272 2020-08-12 RCSB "Initial release" 
# 
data_PRD_002274
# 
_pdbx_reference_molecule.prd_id                       PRD_002274 
_pdbx_reference_molecule.name                         "Acyldepsipeptide 9TS-PHE-SER-PRO-YCP-ALA-MP8" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic depsipeptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C37 H50 N6 O8" 
_pdbx_reference_molecule.formula_weight               706.828 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5VZ2 
# 
_pdbx_reference_entity_list.prd_id          PRD_002274 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002274 1 1 C2 9TS 1 N PHE 2 sing 1 ? ? ? 
PRD_002274 1 2 C  PHE 2 N SER 3 sing 1 ? ? ? 
PRD_002274 1 3 OG SER 3 C MP8 7 sing 1 ? ? ? 
PRD_002274 1 4 C  SER 3 N PRO 4 sing 1 ? ? ? 
PRD_002274 1 5 C  PRO 4 N YCP 5 sing 1 ? ? ? 
PRD_002274 1 6 C  YCP 5 N ALA 6 sing 1 ? ? ? 
PRD_002274 1 7 C  ALA 6 N MP8 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002274 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002274 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002274 1 1 9TS .   N Y 
PRD_002274 1 2 PHE PHE N Y 
PRD_002274 1 3 SER SER N Y 
PRD_002274 1 4 PRO PRO N Y 
PRD_002274 1 5 YCP .   N Y 
PRD_002274 1 6 ALA ALA N Y 
PRD_002274 1 7 MP8 PRO N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002274 2017-06-08 RCSB "Create molecule" 
PRD_002274 2017-06-21 RCSB "Initial release" 
# 
data_PRD_002275
# 
_pdbx_reference_molecule.prd_id                       PRD_002275 
_pdbx_reference_molecule.name                         "cR8 peptide from NOS2" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H59 N14 O13" 
_pdbx_reference_molecule.formula_weight               883.929 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5XN3 
# 
_pdbx_reference_entity_list.prd_id          PRD_002275 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002275 1 1 N ARG 1 C VAL 8 sing 1 ? ? ? 
PRD_002275 1 2 C ARG 1 N GLY 2 sing 1 ? ? ? 
PRD_002275 1 3 C GLY 2 N ASP 3 sing 1 ? ? ? 
PRD_002275 1 4 C ASP 3 N ILE 4 sing 1 ? ? ? 
PRD_002275 1 5 C ILE 4 N ASN 5 sing 1 ? ? ? 
PRD_002275 1 6 C ASN 5 N ASN 6 sing 1 ? ? ? 
PRD_002275 1 7 C ASN 6 N ASN 7 sing 1 ? ? ? 
PRD_002275 1 8 C ASN 7 N VAL 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002275 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002275 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002275 1 1 ARG ARG N Y 
PRD_002275 1 2 GLY GLY N Y 
PRD_002275 1 3 ASP ASP N Y 
PRD_002275 1 4 ILE ILE N Y 
PRD_002275 1 5 ASN ASN N Y 
PRD_002275 1 6 ASN ASN N Y 
PRD_002275 1 7 ASN ASN N Y 
PRD_002275 1 8 VAL VAL N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002275 2017-06-05 PDBJ "Create molecule"    
PRD_002275 2017-06-14 RCSB "Initial release"    
PRD_002275 2017-12-15 PDBE "Other modification" 
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Homo sapiens" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002275 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 9606 
# 
data_PRD_002277
# 
_pdbx_reference_molecule.prd_id                       PRD_002277 
_pdbx_reference_molecule.name                         Klebsazolicin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C64 H93 N23 O25 S3" 
_pdbx_reference_molecule.formula_weight               1680.757 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5W4K 
# 
_pdbx_reference_entity_list.prd_id          PRD_002277 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002277 1 1  CAC 9VA 1  N   SER 2  sing 1 ? ? ? 
PRD_002277 1 2  C   SER 2  N   PRO 3  sing 1 ? ? ? 
PRD_002277 1 3  C   PRO 3  N   GLY 4  sing 1 ? ? ? 
PRD_002277 1 4  C   GLY 4  N   ASN 5  arom 1 ? ? ? 
PRD_002277 1 5  C   ASN 5  SG  BB9 6  arom 1 ? ? ? 
PRD_002277 1 6  C   ASN 5  N   BB9 6  arom 1 ? ? ? 
PRD_002277 1 7  C   BB9 6  N   ALA 7  arom 1 ? ? ? 
PRD_002277 1 8  C   ALA 7  N   SER 8  sing 1 ? ? ? 
PRD_002277 1 9  C   SER 8  N   BB9 9  arom 1 ? ? ? 
PRD_002277 1 10 C   SER 8  SG  BB9 9  arom 1 ? ? ? 
PRD_002277 1 11 C   BB9 9  N   SER 10 arom 1 ? ? ? 
PRD_002277 1 12 C   SER 10 N   ASN 11 sing 1 ? ? ? 
PRD_002277 1 13 C   ASN 11 OG  SER 12 sing 1 ? ? ? 
PRD_002277 1 14 C   ASN 11 N   SER 12 sing 1 ? ? ? 
PRD_002277 1 15 C   SER 12 N   ALA 13 sing 1 ? ? ? 
PRD_002277 1 16 C   ALA 13 N   SER 14 sing 1 ? ? ? 
PRD_002277 1 17 C   SER 14 N   ALA 15 sing 1 ? ? ? 
PRD_002277 1 18 C   ALA 15 N   ASN 16 sing 1 ? ? ? 
PRD_002277 1 19 C   ASN 16 N   BB9 17 arom 1 ? ? ? 
PRD_002277 1 20 C   ASN 16 SG  BB9 17 arom 1 ? ? ? 
PRD_002277 1 21 C   BB9 17 NDD 9VD 18 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002277 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002277 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002277 1 1  9VA .   N Y 
PRD_002277 1 2  SER SER N Y 
PRD_002277 1 3  PRO PRO N Y 
PRD_002277 1 4  GLY GLY N Y 
PRD_002277 1 5  ASN ASN N Y 
PRD_002277 1 6  BB9 CYS N Y 
PRD_002277 1 7  ALA ALA N Y 
PRD_002277 1 8  SER SER N Y 
PRD_002277 1 9  BB9 CYS N Y 
PRD_002277 1 10 SER SER N Y 
PRD_002277 1 11 ASN ASN N Y 
PRD_002277 1 12 SER SER N Y 
PRD_002277 1 13 ALA ALA N Y 
PRD_002277 1 14 SER SER N Y 
PRD_002277 1 15 ALA ALA N Y 
PRD_002277 1 16 ASN ASN N Y 
PRD_002277 1 17 BB9 CYS N Y 
PRD_002277 1 18 9VD .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002277 2017-07-07 .    "Create molecule"    
PRD_002277 2017-08-30 RCSB "Initial release"    
PRD_002277 2017-12-15 PDBE "Other modification" 
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Klebsiella pneumoniae subsp. ozaenae" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002277 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 574 
# 
data_PRD_002279
# 
_pdbx_reference_molecule.prd_id                       PRD_002279 
_pdbx_reference_molecule.name                         SRC2-BCP1 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C64 H109 N19 O15" 
_pdbx_reference_molecule.formula_weight               1384.669 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               OBS 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  PRD_002318 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5WGQ 
# 
_pdbx_reference_entity_list.prd_id          PRD_002279 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002279 1 1  C  ACY 1  N  HIS 2  sing 1 ? ? ? 
PRD_002279 1 2  C  HIS 2  N  LYS 3  sing 1 ? ? ? 
PRD_002279 1 3  C  LYS 3  N  MK8 4  sing 1 ? ? ? 
PRD_002279 1 4  C  MK8 4  N  LEU 5  sing 1 ? ? ? 
PRD_002279 1 5  CE MK8 4  CE MK8 8  doub 1 ? ? ? 
PRD_002279 1 6  C  LEU 5  N  HIS 6  sing 1 ? ? ? 
PRD_002279 1 7  C  HIS 6  N  LYS 7  sing 1 ? ? ? 
PRD_002279 1 8  C  LYS 7  N  MK8 8  sing 1 ? ? ? 
PRD_002279 1 9  NZ LYS 7  CG ASP 11 sing 1 ? ? ? 
PRD_002279 1 10 C  MK8 8  N  LEU 9  sing 1 ? ? ? 
PRD_002279 1 11 C  LEU 9  N  GLN 10 sing 1 ? ? ? 
PRD_002279 1 12 C  GLN 10 N  ASP 11 sing 1 ? ? ? 
PRD_002279 1 13 C  ASP 11 N  SER 12 sing 1 ? ? ? 
PRD_002279 1 14 C  SER 12 N  NH2 13 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002279 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002279 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002279 1 1  ACY .   N Y 
PRD_002279 1 2  HIS HIS N Y 
PRD_002279 1 3  LYS LYS N Y 
PRD_002279 1 4  MK8 LEU N Y 
PRD_002279 1 5  LEU LEU N Y 
PRD_002279 1 6  HIS HIS N Y 
PRD_002279 1 7  LYS LYS N Y 
PRD_002279 1 8  MK8 LEU N Y 
PRD_002279 1 9  LEU LEU N Y 
PRD_002279 1 10 GLN GLN N Y 
PRD_002279 1 11 ASP ASP N Y 
PRD_002279 1 12 SER SER N Y 
PRD_002279 1 13 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002279 2017-08-11 .    "Create molecule" 
PRD_002279 2018-06-13 RCSB "Initial release" 
# 
data_PRD_002282
# 
_pdbx_reference_molecule.prd_id                       PRD_002282 
_pdbx_reference_molecule.name                         "Trapoxin A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C34 H44 N4 O7" 
_pdbx_reference_molecule.formula_weight               620.736 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5VI6 
# 
_pdbx_reference_entity_list.prd_id          PRD_002282 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002282 1 1 N PHE 1 C 5OM 4 sing 1 ? ? ? 
PRD_002282 1 2 C PHE 1 N PHE 2 sing 1 ? ? ? 
PRD_002282 1 3 C PHE 2 N CPI 3 sing 1 ? ? ? 
PRD_002282 1 4 C CPI 3 N 5OM 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002282 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002282 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002282 1 1 PHE PHE N Y 
PRD_002282 1 2 PHE PHE N Y 
PRD_002282 1 3 CPI .   N Y 
PRD_002282 1 4 5OM .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002282 2017-09-07 .    "Create molecule"    
PRD_002282 2017-09-13 RCSB "Initial release"    
PRD_002282 2017-12-15 PDBE "Other modification" 
PRD_002282 2023-11-03 PDBE "Other modification" 
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Helicoma ambiens" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002282 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 314151 
# 
data_PRD_002284
# 
_pdbx_reference_molecule.prd_id                       PRD_002284 
_pdbx_reference_molecule.name                         "PHQ-H3(Q5-K9) peptide modified at K9 with 2-furancarboyl group" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C37 H57 N11 O11" 
_pdbx_reference_molecule.formula_weight               831.916 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5YYF 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002284 1 1 polymer     .   
PRD_002284 2 2 non-polymer FOA 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002284 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "2-FUROIC ACID" 
_pdbx_reference_entity_nonpoly.chem_comp_id    FOA 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_link.prd_id              PRD_002284 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    6 
_pdbx_reference_entity_link.comp_id_1           LYS 
_pdbx_reference_entity_link.atom_id_1           NZ 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    . 
_pdbx_reference_entity_link.comp_id_2           FOA 
_pdbx_reference_entity_link.atom_id_2           C1 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             . 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002284 1 1 C1 PHQ 1 N GLN 2 sing 1 ? ? ? 
PRD_002284 1 2 C  GLN 2 N THR 3 sing 1 ? ? ? 
PRD_002284 1 3 C  THR 3 N ALA 4 sing 1 ? ? ? 
PRD_002284 1 4 C  ALA 4 N ARG 5 sing 1 ? ? ? 
PRD_002284 1 5 C  ARG 5 N LYS 6 sing 1 ? ? ? 
PRD_002284 1 6 C  LYS 6 N NH2 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002284 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002284 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002284 1 1 PHQ .   N Y 
PRD_002284 1 2 GLN GLN N Y 
PRD_002284 1 3 THR THR N Y 
PRD_002284 1 4 ALA ALA N Y 
PRD_002284 1 5 ARG ARG N Y 
PRD_002284 1 6 LYS LYS N Y 
PRD_002284 1 7 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002284 2018-01-18 PDBJ "Create molecule" 
PRD_002284 2018-11-07 RCSB "Initial release" 
# 
data_PRD_002285
# 
_pdbx_reference_molecule.prd_id                       PRD_002285 
_pdbx_reference_molecule.name                         "Peptidomimetic Inhibitors, (PPI)(CZS)(2KY)(MLY)(1XY) " 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C37 H49 Cl N6 O5 S" 
_pdbx_reference_molecule.formula_weight               725.340 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6B5Q 
# 
_pdbx_reference_entity_list.prd_id          PRD_002285 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002285 1 1 C1 PPI 1 N   CZS 2 sing 1 ? ? ? 
PRD_002285 1 2 C  CZS 2 N   2KY 3 sing 1 ? ? ? 
PRD_002285 1 3 C  2KY 3 N   MLY 4 sing 1 ? ? ? 
PRD_002285 1 4 C  MLY 4 N34 1XY 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002285 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002285 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002285 1 1 PPI .   N Y 
PRD_002285 1 2 CZS ALA N Y 
PRD_002285 1 3 2KY .   N Y 
PRD_002285 1 4 MLY LYS N Y 
PRD_002285 1 5 1XY .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002285 2017-10-10 RCSB "Create molecule"    
PRD_002285 2018-02-28 RCSB "Initial release"    
PRD_002285 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002289
# 
_pdbx_reference_molecule.prd_id                       PRD_002289 
_pdbx_reference_molecule.name                         "Tyrocidine A analogue  (DPN)(BE2)F(DPN)NQYV(ORN)L" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C68 H85 N13 O13" 
_pdbx_reference_molecule.formula_weight               1292.482 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             " Tyrocidine kills bacteria by interacting with their cytoplasmic membrane and causing leakage of their intracellular content. It also affects intracellular membranes such as those of mitochondria" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6B34 
# 
_pdbx_reference_entity_list.prd_id          PRD_002289 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002289 1 1  N DPN 1 C LEU 10 sing 1 ? ? ? 
PRD_002289 1 2  C DPN 1 N BE2 2  sing 1 ? ? ? 
PRD_002289 1 3  C BE2 2 N PHE 3  sing 1 ? ? ? 
PRD_002289 1 4  C PHE 3 N DPN 4  sing 1 ? ? ? 
PRD_002289 1 5  C DPN 4 N ASN 5  sing 1 ? ? ? 
PRD_002289 1 6  C ASN 5 N GLN 6  sing 1 ? ? ? 
PRD_002289 1 7  C GLN 6 N TYR 7  sing 1 ? ? ? 
PRD_002289 1 8  C TYR 7 N VAL 8  sing 1 ? ? ? 
PRD_002289 1 9  C VAL 8 N ORN 9  sing 1 ? ? ? 
PRD_002289 1 10 C ORN 9 N LEU 10 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002289 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002289 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002289 1 1  DPN .   N Y 
PRD_002289 1 2  BE2 .   N Y 
PRD_002289 1 3  PHE PHE N Y 
PRD_002289 1 4  DPN .   N Y 
PRD_002289 1 5  ASN ASN N Y 
PRD_002289 1 6  GLN GLN N Y 
PRD_002289 1 7  TYR TYR N Y 
PRD_002289 1 8  VAL VAL N Y 
PRD_002289 1 9  ORN ALA N Y 
PRD_002289 1 10 LEU LEU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002289 2017-10-20 RCSB "Create molecule"    
PRD_002289 2020-08-12 RCSB "Initial release"    
PRD_002289 2023-11-03 PDBE "Other modification" 
# 
_pdbx_reference_entity_src_nat.db_code               NOR00298 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Brevibacillus brevis" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002289 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 1393 
# 
data_PRD_002290
# 
_pdbx_reference_molecule.prd_id                       PRD_002290 
_pdbx_reference_molecule.name                         "Tyrocidine A analogue (DPN)(BE2)F(DPN)NKYV(ORN)L" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C69 H90 N13 O12" 
_pdbx_reference_molecule.formula_weight               1293.533 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             " Tyrocidine kills bacteria by interacting with their cytoplasmic membrane and causing leakage of their intracellular content. It also affects intracellular membranes such as those of mitochondria" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6B35 
# 
_pdbx_reference_entity_list.prd_id          PRD_002290 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002290 1 1  N DPN 1 C LEU 10 sing 1 ? ? ? 
PRD_002290 1 2  C DPN 1 N BE2 2  sing 1 ? ? ? 
PRD_002290 1 3  C BE2 2 N PHE 3  sing 1 ? ? ? 
PRD_002290 1 4  C PHE 3 N DPN 4  sing 1 ? ? ? 
PRD_002290 1 5  C DPN 4 N ASN 5  sing 1 ? ? ? 
PRD_002290 1 6  C ASN 5 N LYS 6  sing 1 ? ? ? 
PRD_002290 1 7  C LYS 6 N TYR 7  sing 1 ? ? ? 
PRD_002290 1 8  C TYR 7 N VAL 8  sing 1 ? ? ? 
PRD_002290 1 9  C VAL 8 N ORN 9  sing 1 ? ? ? 
PRD_002290 1 10 C ORN 9 N LEU 10 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002290 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002290 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002290 1 1  DPN .   N Y 
PRD_002290 1 2  BE2 .   N Y 
PRD_002290 1 3  PHE PHE N Y 
PRD_002290 1 4  DPN .   N Y 
PRD_002290 1 5  ASN ASN N Y 
PRD_002290 1 6  LYS LYS N Y 
PRD_002290 1 7  TYR TYR N Y 
PRD_002290 1 8  VAL VAL N Y 
PRD_002290 1 9  ORN ALA N Y 
PRD_002290 1 10 LEU LEU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002290 2017-10-20 RCSB "Create molecule"    
PRD_002290 2020-08-12 RCSB "Initial release"    
PRD_002290 2023-11-03 PDBE "Other modification" 
# 
_pdbx_reference_entity_src_nat.db_code               NOR00298 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Brevibacillus brevis" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002290 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 1393 
# 
data_PRD_002295
# 
_pdbx_reference_molecule.prd_id                       PRD_002295 
_pdbx_reference_molecule.name                         Duramycin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Lantibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C89 H131 N23 O25 S3" 
_pdbx_reference_molecule.formula_weight               2019.327 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6C0Y 
# 
_pdbx_reference_entity_list.prd_id          PRD_002295 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002295 1 1  C  CYS 1  N  LYS 2  sing 1 ? ? ? 
PRD_002295 1 2  C  LYS 2  N  GLN 3  sing 1 ? ? ? 
PRD_002295 1 3  C  GLN 3  N  DAL 4  sing 1 ? ? ? 
PRD_002295 1 4  C  DAL 4  N  CYS 5  sing 1 ? ? ? 
PRD_002295 1 5  CB DAL 4  SG CYS 14 sing 1 ? ? ? 
PRD_002295 1 6  SG CYS 5  CB DBB 11 sing 1 ? ? ? 
PRD_002295 1 7  C  CYS 5  N  ALA 6  sing 1 ? ? ? 
PRD_002295 1 8  C  ALA 6  N  PHE 7  sing 1 ? ? ? 
PRD_002295 1 9  C  PHE 7  N  GLY 8  sing 1 ? ? ? 
PRD_002295 1 10 C  GLY 8  N  PRO 9  sing 1 ? ? ? 
PRD_002295 1 11 C  PRO 9  N  PHE 10 sing 1 ? ? ? 
PRD_002295 1 12 C  PHE 10 N  DBB 11 sing 1 ? ? ? 
PRD_002295 1 13 C  DBB 11 N  PHE 12 sing 1 ? ? ? 
PRD_002295 1 14 C  PHE 12 N  VAL 13 sing 1 ? ? ? 
PRD_002295 1 15 C  VAL 13 N  CYS 14 sing 1 ? ? ? 
PRD_002295 1 16 C  CYS 14 N  BH2 15 sing 1 ? ? ? 
PRD_002295 1 17 C  BH2 15 N  GLY 16 sing 1 ? ? ? 
PRD_002295 1 18 C  GLY 16 N  ASN 17 sing 1 ? ? ? 
PRD_002295 1 19 C  ASN 17 N  DBB 18 sing 1 ? ? ? 
PRD_002295 1 20 C  DBB 18 N  LYS 19 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002295 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002295 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002295 1 1  CYS CYS N Y 
PRD_002295 1 2  LYS LYS N Y 
PRD_002295 1 3  GLN GLN N Y 
PRD_002295 1 4  DAL .   N Y 
PRD_002295 1 5  CYS CYS N Y 
PRD_002295 1 6  ALA ALA N Y 
PRD_002295 1 7  PHE PHE N Y 
PRD_002295 1 8  GLY GLY N Y 
PRD_002295 1 9  PRO PRO N Y 
PRD_002295 1 10 PHE PHE N Y 
PRD_002295 1 11 DBB .   N Y 
PRD_002295 1 12 PHE PHE N Y 
PRD_002295 1 13 VAL VAL N Y 
PRD_002295 1 14 CYS CYS N Y 
PRD_002295 1 15 BH2 ASP N Y 
PRD_002295 1 16 GLY GLY N Y 
PRD_002295 1 17 ASN ASN N Y 
PRD_002295 1 18 DBB .   N Y 
PRD_002295 1 19 LYS LYS N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_002295 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 53446 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces cinnamoneus" 
_pdbx_reference_entity_src_nat.source                . 
_pdbx_reference_entity_src_nat.db_code               . 
_pdbx_reference_entity_src_nat.db_name               . 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002295 2018-01-09 .    "Create molecule" 
PRD_002295 2020-08-12 RCSB "Initial release" 
# 
data_PRD_002298
# 
_pdbx_reference_molecule.prd_id                       PRD_002298 
_pdbx_reference_molecule.name                         "N2-[4-(carbamimidamidomethyl)phenyl]acetyl-D-lysyl-L-lysyl-D-arginine" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H51 N11 O5" 
_pdbx_reference_molecule.formula_weight               621.775 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5ZMS 
# 
_pdbx_reference_entity_list.prd_id          PRD_002298 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002298 1 1 C2 2UE 1 N DLY 2 sing 1 ? ? ? 
PRD_002298 1 2 C  DLY 2 N LYS 3 sing 1 ? ? ? 
PRD_002298 1 3 C  LYS 3 N DAR 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002298 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002298 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002298 1 1 2UE .   N Y 
PRD_002298 1 2 DLY .   N Y 
PRD_002298 1 3 LYS LYS N Y 
PRD_002298 1 4 DAR .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002298 2018-10-10 PDBJ "Create molecule" 
PRD_002298 2018-10-17 RCSB "Initial release" 
# 
data_PRD_002301
# 
_pdbx_reference_molecule.prd_id                       PRD_002301 
_pdbx_reference_molecule.name                         phalloidin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Toxin 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H47 N8 O11 S" 
_pdbx_reference_molecule.formula_weight               787.860 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6C1D 
# 
_pdbx_reference_entity_list.prd_id          PRD_002301 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002301 1 1 N  ALA 1 C   EEP 7 sing 1 ? ? ? 
PRD_002301 1 2 C  ALA 1 N   2TL 2 sing 1 ? ? ? 
PRD_002301 1 3 C  2TL 2 N   DCY 3 sing 1 ? ? ? 
PRD_002301 1 4 C  DCY 3 N   HYP 4 sing 1 ? ? ? 
PRD_002301 1 5 SG DCY 3 CD1 TRP 6 sing 1 ? ? ? 
PRD_002301 1 6 SG DCY 3 NE1 TRP 6 sing 1 ? ? ? 
PRD_002301 1 7 C  HYP 4 N   ALA 5 sing 1 ? ? ? 
PRD_002301 1 8 C  ALA 5 N   TRP 6 sing 1 ? ? ? 
PRD_002301 1 9 C  TRP 6 N   EEP 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002301 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002301 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002301 1 1 ALA ALA N Y 
PRD_002301 1 2 2TL .   N Y 
PRD_002301 1 3 DCY .   N Y 
PRD_002301 1 4 HYP PRO N Y 
PRD_002301 1 5 ALA ALA N Y 
PRD_002301 1 6 TRP TRP N Y 
PRD_002301 1 7 EEP .   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_002301 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 67723 
_pdbx_reference_entity_src_nat.organism_scientific   "Amanita phalloides" 
_pdbx_reference_entity_src_nat.source                . 
_pdbx_reference_entity_src_nat.db_code               . 
_pdbx_reference_entity_src_nat.db_name               . 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002301 2018-01-23 RCSB "Create molecule" 
PRD_002301 2018-01-31 RCSB "Initial release" 
# 
data_PRD_002302
# 
_pdbx_reference_molecule.prd_id                       PRD_002302 
_pdbx_reference_molecule.name                         WEHI-601 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Transition state mimetic" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C37 H55 N7 O7" 
_pdbx_reference_molecule.formula_weight               709.875 
_pdbx_reference_molecule.chem_comp_id                 EQG 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6C4G 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002302 
_pdbx_reference_entity_subcomponents.seq            "7NX GGB CHG STA PEA" 
_pdbx_reference_entity_subcomponents.chem_comp_id   EQG 
# 
_pdbx_reference_entity_list.prd_id          PRD_002302 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002302 1 1 C8 7NX 1 N GGB 2 SING 1 ? ? ? 
PRD_002302 1 2 C  GGB 2 N CHG 3 SING 1 ? ? ? 
PRD_002302 1 3 C  CHG 3 N STA 4 SING 1 ? ? ? 
PRD_002302 1 4 C  STA 4 N PEA 5 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002302 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002302 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002302 1 1 7NX . N Y 
PRD_002302 1 2 GGB . N Y 
PRD_002302 1 3 CHG . N Y 
PRD_002302 1 4 STA . N Y 
PRD_002302 1 5 PEA . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002302 2018-01-26 .    "Create molecule" 
PRD_002302 2018-06-13 RCSB "Initial release" 
# 
data_PRD_002303
# 
_pdbx_reference_molecule.prd_id                       PRD_002303 
_pdbx_reference_molecule.name                         PMX53 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        ? 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C47 H66 N11 O7" 
_pdbx_reference_molecule.formula_weight               897.096 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6C1Q 
# 
_pdbx_reference_entity_list.prd_id          PRD_002303 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002303 1 1 C  ACE 1 N PHE 2 sing 1 ? ? ? 
PRD_002303 1 2 C  PHE 2 N ORN 3 sing 1 ? ? ? 
PRD_002303 1 3 NE ORN 3 C ARG 7 sing 1 ? ? ? 
PRD_002303 1 4 C  ORN 3 N PRO 4 sing 1 ? ? ? 
PRD_002303 1 5 C  PRO 4 N ZAL 5 sing 1 ? ? ? 
PRD_002303 1 6 C  ZAL 5 N TRP 6 sing 1 ? ? ? 
PRD_002303 1 7 C  TRP 6 N ARG 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002303 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002303 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002303 1 1 ACE .   N Y 
PRD_002303 1 2 PHE PHE N Y 
PRD_002303 1 3 ORN ALA N Y 
PRD_002303 1 4 PRO PRO N Y 
PRD_002303 1 5 ZAL .   N Y 
PRD_002303 1 6 TRP TRP N Y 
PRD_002303 1 7 ARG ARG N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002303 2018-02-01 .    "Create molecule" 
PRD_002303 2018-05-30 RCSB "Initial release" 
# 
data_PRD_002304
# 
_pdbx_reference_molecule.prd_id                       PRD_002304 
_pdbx_reference_molecule.name                         "N2-{[4-(carbamimidamidomethyl)phenyl]acetyl}-L-arginyl-L-arginyl-N-[(4-carbamimidoylphenyl)methyl]-L-argininamide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H61 N18 O4" 
_pdbx_reference_molecule.formula_weight               809.988 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5ZOB 
# 
_pdbx_reference_entity_list.prd_id          PRD_002304 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002304 1 1 C2 2UE 1 N   ARG 2 sing 1 ? ? ? 
PRD_002304 1 2 C  ARG 2 N   ARG 3 sing 1 ? ? ? 
PRD_002304 1 3 C  ARG 3 N   ARG 4 sing 1 ? ? ? 
PRD_002304 1 4 C  ARG 4 N23 00S 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002304 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002304 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002304 1 1 2UE .   N Y 
PRD_002304 1 2 ARG ARG N Y 
PRD_002304 1 3 ARG ARG N Y 
PRD_002304 1 4 ARG ARG N Y 
PRD_002304 1 5 00S .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002304 2018-10-10 PDBJ "Create molecule" 
PRD_002304 2018-10-17 RCSB "Initial release" 
# 
data_PRD_002306
# 
_pdbx_reference_molecule.prd_id                       PRD_002306 
_pdbx_reference_molecule.name                         "Rufomycin I" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antimicrobial 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C54 H77 N9 O12" 
_pdbx_reference_molecule.formula_weight               1044.242 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6CN8 
# 
_pdbx_reference_entity_list.prd_id          PRD_002306 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002306 1 1 C  F7P 1 N MLE 2 sing 1 ? ? ? 
PRD_002306 1 2 N  F7P 1 C F7V 7 sing 1 ? ? ? 
PRD_002306 1 3 C  MLE 2 N NIY 3 sing 1 ? ? ? 
PRD_002306 1 4 C  NIY 3 N ALA 4 sing 1 ? ? ? 
PRD_002306 1 5 C  ALA 4 N F7S 5 sing 1 ? ? ? 
PRD_002306 1 6 C  F7S 5 N LEU 6 sing 1 ? ? ? 
PRD_002306 1 7 CD F7S 5 N LEU 6 sing 1 ? ? ? 
PRD_002306 1 8 C  LEU 6 N F7V 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002306 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002306 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002306 1 1 F7P .   N Y 
PRD_002306 1 2 MLE LEU N Y 
PRD_002306 1 3 NIY TYR N Y 
PRD_002306 1 4 ALA ALA N Y 
PRD_002306 1 5 F7S .   N Y 
PRD_002306 1 6 LEU LEU N Y 
PRD_002306 1 7 F7V .   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_002306 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1893 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces atratus" 
_pdbx_reference_entity_src_nat.source                . 
_pdbx_reference_entity_src_nat.db_code               . 
_pdbx_reference_entity_src_nat.db_name               . 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002306 2018-03-09 .    "Create molecule" 
PRD_002306 2019-06-04 RCSB "Initial release" 
# 
data_PRD_002307
# 
_pdbx_reference_molecule.prd_id                       PRD_002307 
_pdbx_reference_molecule.name                         Phalloidin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Toxin 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H48 N8 O11 S" 
_pdbx_reference_molecule.formula_weight               788.868 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6D8C 
# 
_pdbx_reference_entity_list.prd_id          PRD_002307 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002307 1 1 N   HYP 1 C  CYS 7 sing 1 ? ? ? 
PRD_002307 1 2 C   HYP 1 N  ALA 2 sing 1 ? ? ? 
PRD_002307 1 3 C   ALA 2 N  TRP 3 sing 1 ? ? ? 
PRD_002307 1 4 CD1 TRP 3 SG CYS 7 sing 1 ? ? ? 
PRD_002307 1 5 C   TRP 3 N  G5G 4 sing 1 ? ? ? 
PRD_002307 1 6 C   G5G 4 N  ALA 5 sing 1 ? ? ? 
PRD_002307 1 7 C   ALA 5 N  ALO 6 sing 1 ? ? ? 
PRD_002307 1 8 C   ALO 6 N  CYS 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002307 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         P0CU63 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002307 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002307 1 1 HYP PRO N Y 
PRD_002307 1 2 ALA ALA N Y 
PRD_002307 1 3 TRP TRP N Y 
PRD_002307 1 4 G5G LEU N Y 
PRD_002307 1 5 ALA ALA N Y 
PRD_002307 1 6 ALO THR N Y 
PRD_002307 1 7 CYS CYS N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_002307 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 67723 
_pdbx_reference_entity_src_nat.organism_scientific   "Amanita phalloides" 
_pdbx_reference_entity_src_nat.source                . 
_pdbx_reference_entity_src_nat.db_code               . 
_pdbx_reference_entity_src_nat.db_name               . 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002307 2018-05-04 .    "Create molecule"      
PRD_002307 2018-09-10 .    "Modify molecule name" 
PRD_002307 2018-09-19 RCSB "Initial release"      
# 
data_PRD_002308
# 
_pdbx_reference_molecule.prd_id                       PRD_002308 
_pdbx_reference_molecule.name                         DAMGO 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "synthetic opioid" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H35 N5 O6" 
_pdbx_reference_molecule.formula_weight               513.586 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6DDF 
# 
_pdbx_reference_entity_list.prd_id          PRD_002308 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002308 1 1 C TYR 1 N DAL 2 sing 1 ? ? ? 
PRD_002308 1 2 C DAL 2 N GLY 3 sing 1 ? ? ? 
PRD_002308 1 3 C GLY 3 N MEA 4 sing 1 ? ? ? 
PRD_002308 1 4 C MEA 4 N ETA 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002308 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002308 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002308 1 1 TYR TYR N Y 
PRD_002308 1 2 DAL .   N Y 
PRD_002308 1 3 GLY GLY N Y 
PRD_002308 1 4 MEA PHE N Y 
PRD_002308 1 5 ETA .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002308 2018-05-10 .    "Create molecule" 
PRD_002308 2018-06-13 RCSB "Initial release" 
# 
data_PRD_002309
# 
_pdbx_reference_molecule.prd_id                       PRD_002309 
_pdbx_reference_molecule.name                         "N2-(phenylacetyl)-D-lysyl-D-lysyl-D-arginine" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H45 N8 O5" 
_pdbx_reference_molecule.formula_weight               549.686 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5ZMQ 
# 
_pdbx_reference_entity_list.prd_id          PRD_002309 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002309 1 1 C1 PAC 1 N DLY 2 sing 1 ? ? ? 
PRD_002309 1 2 C  DLY 2 N DLY 3 sing 1 ? ? ? 
PRD_002309 1 3 C  DLY 3 N DAR 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002309 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002309 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002309 1 1 PAC . N Y 
PRD_002309 1 2 DLY . N Y 
PRD_002309 1 3 DLY . N Y 
PRD_002309 1 4 DAR . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002309 2018-10-10 PDBJ "Create molecule" 
PRD_002309 2018-10-17 RCSB "Initial release" 
# 
data_PRD_002311
# 
_pdbx_reference_molecule.prd_id                       PRD_002311 
_pdbx_reference_molecule.name                         ACE-MVA-MP8-NZC-LEU-MP8-LEU-MVA-PRO-MLU-GLY 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C57 H96 N10 O12" 
_pdbx_reference_molecule.formula_weight               1113.432 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6DJK 
# 
_pdbx_reference_entity_list.prd_id          PRD_002311 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002311 1 1  C   ACE 1  N MVA 2  sing 1 ? ? ? 
PRD_002311 1 2  C   MVA 2  N MP8 3  sing 1 ? ? ? 
PRD_002311 1 3  C   MP8 3  N NZC 4  sing 1 ? ? ? 
PRD_002311 1 4  OG1 NZC 4  C GLY 11 sing 1 ? ? ? 
PRD_002311 1 5  C   NZC 4  N LEU 5  sing 1 ? ? ? 
PRD_002311 1 6  C   LEU 5  N MP8 6  sing 1 ? ? ? 
PRD_002311 1 7  C   MP8 6  N LEU 7  sing 1 ? ? ? 
PRD_002311 1 8  C   LEU 7  N MVA 8  sing 1 ? ? ? 
PRD_002311 1 9  C   MVA 8  N PRO 9  sing 1 ? ? ? 
PRD_002311 1 10 C   PRO 9  N MLU 10 sing 1 ? ? ? 
PRD_002311 1 11 C   MLU 10 N GLY 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002311 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002311 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002311 1 1  ACE .   N Y 
PRD_002311 1 2  MVA VAL N Y 
PRD_002311 1 3  MP8 PRO N Y 
PRD_002311 1 4  NZC THR N Y 
PRD_002311 1 5  LEU LEU N Y 
PRD_002311 1 6  MP8 PRO N Y 
PRD_002311 1 7  LEU LEU N Y 
PRD_002311 1 8  MVA VAL N Y 
PRD_002311 1 9  PRO PRO N Y 
PRD_002311 1 10 MLU .   N Y 
PRD_002311 1 11 GLY GLY N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002311 2018-06-04 .    "Create molecule" 
PRD_002311 2019-05-29 RCSB "Initial release" 
# 
data_PRD_002312
# 
_pdbx_reference_molecule.prd_id                       PRD_002312 
_pdbx_reference_molecule.name                         "(GZJ)VDINNN(CY3) Cyclic peptide inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H58 N12 O14 S" 
_pdbx_reference_molecule.formula_weight               914.983 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6DN8 
# 
_pdbx_reference_entity_list.prd_id          PRD_002312 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002312 1 1 C  GZJ 1 N  VAL 2 sing 1 ? ? ? 
PRD_002312 1 2 CG GZJ 1 SG CY3 8 sing 1 ? ? ? 
PRD_002312 1 3 C  VAL 2 N  ASP 3 sing 1 ? ? ? 
PRD_002312 1 4 C  ASP 3 N  ILE 4 sing 1 ? ? ? 
PRD_002312 1 5 C  ILE 4 N  ASN 5 sing 1 ? ? ? 
PRD_002312 1 6 C  ASN 5 N  ASN 6 sing 1 ? ? ? 
PRD_002312 1 7 C  ASN 6 N  ASN 7 sing 1 ? ? ? 
PRD_002312 1 8 C  ASN 7 N  CY3 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002312 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002312 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002312 1 1 GZJ .   N Y 
PRD_002312 1 2 VAL VAL N Y 
PRD_002312 1 3 ASP ASP N Y 
PRD_002312 1 4 ILE ILE N Y 
PRD_002312 1 5 ASN ASN N Y 
PRD_002312 1 6 ASN ASN N Y 
PRD_002312 1 7 ASN ASN N Y 
PRD_002312 1 8 CY3 CYS N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002312 2018-06-07 RCSB "Create molecule" 
PRD_002312 2019-04-17 RCSB "Initial release" 
# 
data_PRD_002313
# 
_pdbx_reference_molecule.prd_id                       PRD_002313 
_pdbx_reference_molecule.name                         "WDINNN(BAL) Cyclic peptide inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H49 N11 O12" 
_pdbx_reference_molecule.formula_weight               827.841 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6DN7 
# 
_pdbx_reference_entity_list.prd_id          PRD_002313 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002313 1 1 N TRP 1 C BAL 7 sing 1 ? ? ? 
PRD_002313 1 2 C TRP 1 N ASP 2 sing 1 ? ? ? 
PRD_002313 1 3 C ASP 2 N ILE 3 sing 1 ? ? ? 
PRD_002313 1 4 C ILE 3 N ASN 4 sing 1 ? ? ? 
PRD_002313 1 5 C ASN 4 N ASN 5 sing 1 ? ? ? 
PRD_002313 1 6 C ASN 5 N ASN 6 sing 1 ? ? ? 
PRD_002313 1 7 C ASN 6 N BAL 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002313 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002313 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002313 1 1 TRP TRP N Y 
PRD_002313 1 2 ASP ASP N Y 
PRD_002313 1 3 ILE ILE N Y 
PRD_002313 1 4 ASN ASN N Y 
PRD_002313 1 5 ASN ASN N Y 
PRD_002313 1 6 ASN ASN N Y 
PRD_002313 1 7 BAL .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002313 2018-06-07 RCSB "Create molecule" 
PRD_002313 2019-04-17 RCSB "Initial release" 
# 
data_PRD_002314
# 
_pdbx_reference_molecule.prd_id                       PRD_002314 
_pdbx_reference_molecule.name                         "INNN(ABU) Cyclic peptide inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H36 N8 O8" 
_pdbx_reference_molecule.formula_weight               540.570 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6DN6 
# 
_pdbx_reference_entity_list.prd_id          PRD_002314 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002314 1 1 N ILE 1 C ABU 5 sing 1 ? ? ? 
PRD_002314 1 2 C ILE 1 N ASN 2 sing 1 ? ? ? 
PRD_002314 1 3 C ASN 2 N ASN 3 sing 1 ? ? ? 
PRD_002314 1 4 C ASN 3 N ASN 4 sing 1 ? ? ? 
PRD_002314 1 5 C ASN 4 N ABU 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002314 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002314 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002314 1 1 ILE ILE N Y 
PRD_002314 1 2 ASN ASN N Y 
PRD_002314 1 3 ASN ASN N Y 
PRD_002314 1 4 ASN ASN N Y 
PRD_002314 1 5 ABU .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002314 2018-06-07 RCSB "Create molecule"    
PRD_002314 2019-04-17 RCSB "Initial release"    
PRD_002314 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002315
# 
_pdbx_reference_molecule.prd_id                       PRD_002315 
_pdbx_reference_molecule.name                         "4HP-PRO-LYS-ARG-NH2, BM-30" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H42 N8 O5" 
_pdbx_reference_molecule.formula_weight               534.652 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6DTO 
# 
_pdbx_reference_entity_list.prd_id          PRD_002315 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002315 1 1 C8 4HP 1 N PRO 2 sing 1 ? ? ? 
PRD_002315 1 2 C  PRO 2 N LYS 3 sing 1 ? ? ? 
PRD_002315 1 3 C  LYS 3 N ARG 4 sing 1 ? ? ? 
PRD_002315 1 4 C  ARG 4 N NH2 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002315 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002315 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002315 1 1 4HP .   N Y 
PRD_002315 1 2 PRO PRO N Y 
PRD_002315 1 3 LYS LYS N Y 
PRD_002315 1 4 ARG ARG N Y 
PRD_002315 1 5 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002315 2018-07-09 .    "Create molecule" 
PRD_002315 2020-08-26 RCSB "Initial release" 
# 
data_PRD_002316
# 
_pdbx_reference_molecule.prd_id                       PRD_002316 
_pdbx_reference_molecule.name                         "Apollo peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C46 H68 N8 O7" 
_pdbx_reference_molecule.formula_weight               845.082 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6J67 
# 
_pdbx_reference_entity_list.prd_id          PRD_002316 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002316 1 1 C  3FB 1 N PHE 2 sing 1 ? ? ? 
PRD_002316 1 2 C  PHE 2 N B8R 3 sing 1 ? ? ? 
PRD_002316 1 3 C  B8R 3 N LEU 4 sing 1 ? ? ? 
PRD_002316 1 4 N4 B8R 3 C PRO 6 sing 1 ? ? ? 
PRD_002316 1 5 C  LEU 4 N ALA 5 sing 1 ? ? ? 
PRD_002316 1 6 C  ALA 5 N PRO 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002316 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002316 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002316 1 1 3FB .   N Y 
PRD_002316 1 2 PHE PHE N Y 
PRD_002316 1 3 B8R .   N Y 
PRD_002316 1 4 LEU LEU N Y 
PRD_002316 1 5 ALA ALA N Y 
PRD_002316 1 6 PRO PRO N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002316 2019-02-05 PDBJ "Create molecule" 
PRD_002316 2019-02-13 RCSB "Initial release" 
# 
data_PRD_002317
# 
_pdbx_reference_molecule.prd_id                       PRD_002317 
_pdbx_reference_molecule.name                         "N-Me-p-iodo-D-Phe1,N-Me-D-Gln4,Lys10-teixobactin analogue" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C59 H99 I N13 O15" 
_pdbx_reference_molecule.formula_weight               1357.400 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6E00 
# 
_pdbx_reference_entity_list.prd_id          PRD_002317 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002317 1 1  C   HJY 1  N ILE 2  sing 1 ? ? ? 
PRD_002317 1 2  C   ILE 2  N SER 3  sing 1 ? ? ? 
PRD_002317 1 3  C   SER 3  N HJV 4  sing 1 ? ? ? 
PRD_002317 1 4  C   HJV 4  N 28J 5  sing 1 ? ? ? 
PRD_002317 1 5  C   28J 5  N ILE 6  sing 1 ? ? ? 
PRD_002317 1 6  C   ILE 6  N SER 7  sing 1 ? ? ? 
PRD_002317 1 7  C   SER 7  N DTH 8  sing 1 ? ? ? 
PRD_002317 1 8  OG1 DTH 8  C ILE 11 sing 1 ? ? ? 
PRD_002317 1 9  C   DTH 8  N ALA 9  sing 1 ? ? ? 
PRD_002317 1 10 C   ALA 9  N LYS 10 sing 1 ? ? ? 
PRD_002317 1 11 C   LYS 10 N ILE 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002317 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002317 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002317 1 1  HJY .   N Y 
PRD_002317 1 2  ILE ILE N Y 
PRD_002317 1 3  SER SER N Y 
PRD_002317 1 4  HJV .   N Y 
PRD_002317 1 5  28J .   N Y 
PRD_002317 1 6  ILE ILE N Y 
PRD_002317 1 7  SER SER N Y 
PRD_002317 1 8  DTH .   N Y 
PRD_002317 1 9  ALA ALA N Y 
PRD_002317 1 10 LYS LYS N Y 
PRD_002317 1 11 ILE ILE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002317 2018-07-09 .    "Create molecule" 
PRD_002317 2018-10-17 RCSB "Initial release" 
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Eleftheria terrae" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002317 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 1597781 
# 
data_PRD_002318
# 
_pdbx_reference_molecule.prd_id                       PRD_002318 
_pdbx_reference_molecule.name                         SRC2-BCP1 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C64 H109 N19 O15" 
_pdbx_reference_molecule.formula_weight               1384.669 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5WGQ 
# 
_pdbx_reference_entity_list.prd_id          PRD_002318 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002318 1 1  C  ACE 1  N  HIS 2  sing 1 ? ? ? 
PRD_002318 1 2  C  HIS 2  N  LYS 3  sing 1 ? ? ? 
PRD_002318 1 3  C  LYS 3  N  MK8 4  sing 1 ? ? ? 
PRD_002318 1 4  C  MK8 4  N  LEU 5  sing 1 ? ? ? 
PRD_002318 1 5  CE MK8 4  CE MK8 8  sing 1 ? ? ? 
PRD_002318 1 6  C  LEU 5  N  HIS 6  sing 1 ? ? ? 
PRD_002318 1 7  C  HIS 6  N  LYS 7  sing 1 ? ? ? 
PRD_002318 1 8  C  LYS 7  N  MK8 8  sing 1 ? ? ? 
PRD_002318 1 9  NZ LYS 7  CG ASP 11 sing 1 ? ? ? 
PRD_002318 1 10 C  MK8 8  N  LEU 9  sing 1 ? ? ? 
PRD_002318 1 11 C  LEU 9  N  GLN 10 sing 1 ? ? ? 
PRD_002318 1 12 C  GLN 10 N  ASP 11 sing 1 ? ? ? 
PRD_002318 1 13 C  ASP 11 N  SER 12 sing 1 ? ? ? 
PRD_002318 1 14 C  SER 12 N  NH2 13 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002318 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002318 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002318 1 1  ACE .   N Y 
PRD_002318 1 2  HIS HIS N Y 
PRD_002318 1 3  LYS LYS N Y 
PRD_002318 1 4  MK8 LEU N Y 
PRD_002318 1 5  LEU LEU N Y 
PRD_002318 1 6  HIS HIS N Y 
PRD_002318 1 7  LYS LYS N Y 
PRD_002318 1 8  MK8 LEU N Y 
PRD_002318 1 9  LEU LEU N Y 
PRD_002318 1 10 GLN GLN N Y 
PRD_002318 1 11 ASP ASP N Y 
PRD_002318 1 12 SER SER N Y 
PRD_002318 1 13 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002318 2018-07-16 .    "Create molecule" 
PRD_002318 2018-07-25 RCSB "Initial release" 
# 
data_PRD_002319
# 
_pdbx_reference_molecule.prd_id                       PRD_002319 
_pdbx_reference_molecule.name                         "(6D6)PPKRIA(NH2), DC100-1" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C48 H84 N18 O11" 
_pdbx_reference_molecule.formula_weight               1089.295 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6DTN 
# 
_pdbx_reference_entity_list.prd_id          PRD_002319 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002319 1 1 C1 6D6 1 N PRO 2 sing 1 ? ? ? 
PRD_002319 1 2 C  PRO 2 N PRO 3 sing 1 ? ? ? 
PRD_002319 1 3 C  PRO 3 N LYS 4 sing 1 ? ? ? 
PRD_002319 1 4 C  LYS 4 N ARG 5 sing 1 ? ? ? 
PRD_002319 1 5 C  ARG 5 N ILE 6 sing 1 ? ? ? 
PRD_002319 1 6 C  ILE 6 N ALA 7 sing 1 ? ? ? 
PRD_002319 1 7 C  ALA 7 N NH2 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002319 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002319 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002319 1 1 6D6 .   N Y 
PRD_002319 1 2 PRO PRO N Y 
PRD_002319 1 3 PRO PRO N Y 
PRD_002319 1 4 LYS LYS N Y 
PRD_002319 1 5 ARG ARG N Y 
PRD_002319 1 6 ILE ILE N Y 
PRD_002319 1 7 ALA ALA N Y 
PRD_002319 1 8 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002319 2018-07-18 .    "Create molecule" 
PRD_002319 2019-04-03 RCSB "Initial release" 
# 
data_PRD_002323
# 
_pdbx_reference_molecule.prd_id                       PRD_002323 
_pdbx_reference_molecule.name                         "N-METHYL-4-HYDROXY-LEUCINE CYCLOSPORIN" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Immunosuppressant 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C62 H111 N11 O13" 
_pdbx_reference_molecule.formula_weight               1218.611 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1CWL 
# 
_pdbx_reference_entity_list.prd_id          PRD_002323 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002323 1 1  C DAL 1  N MLE 2  sing 1 ? ? ? 
PRD_002323 1 2  N DAL 1  C ALA 11 sing 1 ? ? ? 
PRD_002323 1 3  C MLE 2  N MLE 3  sing 1 ? ? ? 
PRD_002323 1 4  C MLE 3  N MVA 4  sing 1 ? ? ? 
PRD_002323 1 5  C MVA 4  N BMT 5  sing 1 ? ? ? 
PRD_002323 1 6  C BMT 5  N ABA 6  sing 1 ? ? ? 
PRD_002323 1 7  C ABA 6  N SAR 7  sing 1 ? ? ? 
PRD_002323 1 8  C SAR 7  N MHL 8  sing 1 ? ? ? 
PRD_002323 1 9  C MHL 8  N VAL 9  sing 1 ? ? ? 
PRD_002323 1 10 C VAL 9  N MLE 10 sing 1 ? ? ? 
PRD_002323 1 11 C MLE 10 N ALA 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002323 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00033 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002323 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002323 1 1  DAL .   N Y 
PRD_002323 1 2  MLE LEU N Y 
PRD_002323 1 3  MLE LEU N Y 
PRD_002323 1 4  MVA VAL N Y 
PRD_002323 1 5  BMT THR N Y 
PRD_002323 1 6  ABA ALA N Y 
PRD_002323 1 7  SAR GLY N Y 
PRD_002323 1 8  MHL LEU N Y 
PRD_002323 1 9  VAL VAL N Y 
PRD_002323 1 10 MLE LEU N Y 
PRD_002323 1 11 ALA ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002323 2018-09-06 RCSB "Create molecule" 
PRD_002323 2018-09-12 RCSB "Initial release" 
# 
data_PRD_002324
# 
_pdbx_reference_molecule.prd_id                       PRD_002324 
_pdbx_reference_molecule.name                         " [D-(CHOLINYLESTER)SER8]-CYCLOSPORIN" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Immunosuppressant 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C62 H111 N11 O13" 
_pdbx_reference_molecule.formula_weight               1218.611 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1CYN 
# 
_pdbx_reference_entity_list.prd_id          PRD_002324 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002324 1 1  N DSN 1  C ALA 11 sing 1 ? ? ? 
PRD_002324 1 2  C DSN 1  N MLE 2  sing 1 ? ? ? 
PRD_002324 1 3  C MLE 2  N MLE 3  sing 1 ? ? ? 
PRD_002324 1 4  C MLE 3  N MVA 4  sing 1 ? ? ? 
PRD_002324 1 5  C MVA 4  N BMT 5  sing 1 ? ? ? 
PRD_002324 1 6  C BMT 5  N ABA 6  sing 1 ? ? ? 
PRD_002324 1 7  C ABA 6  N SAR 7  sing 1 ? ? ? 
PRD_002324 1 8  C SAR 7  N MLE 8  sing 1 ? ? ? 
PRD_002324 1 9  C MLE 8  N VAL 9  sing 1 ? ? ? 
PRD_002324 1 10 C VAL 9  N MLE 10 sing 1 ? ? ? 
PRD_002324 1 11 C MLE 10 N ALA 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002324 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00033 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002324 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002324 1 1  DSN .   N Y 
PRD_002324 1 2  MLE LEU N Y 
PRD_002324 1 3  MLE LEU N Y 
PRD_002324 1 4  MVA VAL N Y 
PRD_002324 1 5  BMT THR N Y 
PRD_002324 1 6  ABA ALA N Y 
PRD_002324 1 7  SAR GLY N Y 
PRD_002324 1 8  MLE LEU N Y 
PRD_002324 1 9  VAL VAL N Y 
PRD_002324 1 10 MLE LEU N Y 
PRD_002324 1 11 ALA ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002324 2018-09-06 RCSB "Create molecule" 
PRD_002324 2018-09-12 RCSB "Initial release" 
# 
data_PRD_002326
# 
_pdbx_reference_molecule.prd_id                       PRD_002326 
_pdbx_reference_molecule.name                         "Phosphinic inhibitor DG014" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C62 H91 N9 O18 P" 
_pdbx_reference_molecule.formula_weight               1281.409 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6MGQ 
# 
_pdbx_reference_entity_list.prd_id          PRD_002326 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002326 1 1 P11 2X0 1 C6 7GA 2  sing 1 ? ? ? 
PRD_002326 1 2 C   7GA 2 N  THR 3  sing 1 ? ? ? 
PRD_002326 1 3 C   THR 3 N  PHE 4  sing 1 ? ? ? 
PRD_002326 1 4 C   PHE 4 N  PRO 5  sing 1 ? ? ? 
PRD_002326 1 5 C   PRO 5 N  GLU 6  sing 1 ? ? ? 
PRD_002326 1 6 C   GLU 6 N  THR 7  sing 1 ? ? ? 
PRD_002326 1 7 C   THR 7 N  LEU 8  sing 1 ? ? ? 
PRD_002326 1 8 C   LEU 8 N  THR 9  sing 1 ? ? ? 
PRD_002326 1 9 C   THR 9 N  TYR 10 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002326 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002326 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002326 1 1  2X0 .   N Y 
PRD_002326 1 2  7GA .   N Y 
PRD_002326 1 3  THR THR N Y 
PRD_002326 1 4  PHE PHE N Y 
PRD_002326 1 5  PRO PRO N Y 
PRD_002326 1 6  GLU GLU N N 
PRD_002326 1 7  THR THR N N 
PRD_002326 1 8  LEU LEU N N 
PRD_002326 1 9  THR THR N N 
PRD_002326 1 10 TYR TYR N N 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002326 2018-09-19 .    "Create molecule" 
PRD_002326 2019-12-18 RCSB "Initial release" 
# 
data_PRD_002327
# 
_pdbx_reference_molecule.prd_id                       PRD_002327 
_pdbx_reference_molecule.name                         "PSEUDOTYROSTATIN (Bound Form)" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H30 N2 O5" 
_pdbx_reference_molecule.formula_weight               414.495 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6M9C 
# 
_pdbx_reference_entity_list.prd_id          PRD_002327 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002327 1 1 C IVA 1 N TYR 2 sing 1 ? ? ? 
PRD_002327 1 2 C TYR 2 N TYE 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002327 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002327 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002327 1 1 IVA .   N Y 
PRD_002327 1 2 TYR TYR N Y 
PRD_002327 1 3 TYE TYR N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002327 2018-10-11 .    "Create molecule" 
PRD_002327 2018-10-24 RCSB "Initial release" 
# 
data_PRD_002328
# 
_pdbx_reference_molecule.prd_id                       PRD_002328 
_pdbx_reference_molecule.name                         "TYROSTATIN (Bound Form)" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C29 H41 N3 O6" 
_pdbx_reference_molecule.formula_weight               527.652 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6M9F 
# 
_pdbx_reference_entity_list.prd_id          PRD_002328 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002328 1 1 C IVA 1 N TYR 2 sing 1 ? ? ? 
PRD_002328 1 2 C TYR 2 N LEU 3 sing 1 ? ? ? 
PRD_002328 1 3 C LEU 3 N TYE 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002328 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002328 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002328 1 1 IVA .   N Y 
PRD_002328 1 2 TYR TYR N Y 
PRD_002328 1 3 LEU LEU N Y 
PRD_002328 1 4 TYE TYR N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002328 2018-10-11 .    "Create molecule"    
PRD_002328 2018-10-24 RCSB "Initial release"    
PRD_002328 2018-10-31 PDBE "Other modification" 
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   Kitasatosporia 
_pdbx_reference_entity_src_nat.prd_id                PRD_002328 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 2063 
# 
data_PRD_002330
# 
_pdbx_reference_molecule.prd_id                       PRD_002330 
_pdbx_reference_molecule.name                         Darobactin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C47 H56 N11 O12" 
_pdbx_reference_molecule.formula_weight               967.014 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7NRI 
# 
_pdbx_reference_entity_list.prd_id          PRD_002330 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002330 1 1 C   TRP 1 N  ASN 2 sing 1 ? ? ? 
PRD_002330 1 2 CZ2 TRP 1 O9 UX8 3 sing 1 ? ? ? 
PRD_002330 1 3 C   ASN 2 N  UX8 3 sing 1 ? ? ? 
PRD_002330 1 4 C   UX8 3 N  SER 4 sing 1 ? ? ? 
PRD_002330 1 5 CH2 UX8 3 CB LYS 5 sing 1 ? ? ? 
PRD_002330 1 6 C   SER 4 N  LYS 5 sing 1 ? ? ? 
PRD_002330 1 7 C   LYS 5 N  SER 6 sing 1 ? ? ? 
PRD_002330 1 8 C   SER 6 N  PHE 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002330 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002330 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002330 1 1 TRP TRP N Y 
PRD_002330 1 2 ASN ASN N Y 
PRD_002330 1 3 UX8 TRP N Y 
PRD_002330 1 4 SER SER N Y 
PRD_002330 1 5 LYS LYS N Y 
PRD_002330 1 6 SER SER N Y 
PRD_002330 1 7 PHE PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002330 2021-04-12 PDBE "Create molecule" 
PRD_002330 2021-04-21 RCSB "Initial release" 
PRD_002330 2023-06-11 RCSB "Modify audit"    
# 
data_PRD_002331
# 
_pdbx_reference_molecule.prd_id                       PRD_002331 
_pdbx_reference_molecule.name                         "Chymostatin A (bound form)" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H43 N7 O6" 
_pdbx_reference_molecule.formula_weight               609.716 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6M9D 
# 
_pdbx_reference_entity_list.prd_id          PRD_002331 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002331 1 1 N PHE 1 C7 CSI 2 sing 1 ? ? ? 
PRD_002331 1 2 C CSI 2 N  LEU 3 sing 1 ? ? ? 
PRD_002331 1 3 C LEU 3 N  PHL 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002331 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002331 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002331 1 1 PHE PHE N Y 
PRD_002331 1 2 CSI GLY N Y 
PRD_002331 1 3 LEU LEU N Y 
PRD_002331 1 4 PHL PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002331 2018-10-15 RCSB "Create molecule" 
PRD_002331 2018-10-24 RCSB "Initial release" 
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces lavendulae, MC524-C1" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002331 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                PubMed 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 1914 
# 
data_PRD_002333
# 
_pdbx_reference_molecule.prd_id                       PRD_002333 
_pdbx_reference_molecule.name                         "Pseudoxylallemycin A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H44 N4 O4" 
_pdbx_reference_molecule.formula_weight               548.716 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6MW1 
# 
_pdbx_reference_entity_list.prd_id          PRD_002333 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002333 1 1 N MLE 1 C PHE 4 sing 1 ? ? ? 
PRD_002333 1 2 C MLE 1 N PHE 2 sing 1 ? ? ? 
PRD_002333 1 3 C PHE 2 N MLE 3 sing 1 ? ? ? 
PRD_002333 1 4 C MLE 3 N PHE 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002333 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002333 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002333 1 1 MLE LEU N Y 
PRD_002333 1 2 PHE PHE N Y 
PRD_002333 1 3 MLE LEU N Y 
PRD_002333 1 4 PHE PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002333 2018-11-05 .    "Create molecule" 
PRD_002333 2019-09-11 RCSB "Initial release" 
# 
data_PRD_002334
# 
_pdbx_reference_molecule.prd_id                       PRD_002334 
_pdbx_reference_molecule.name                         "Linear tetrapeptide related to pseudoxylallemycin A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H46 N4 O5" 
_pdbx_reference_molecule.formula_weight               566.731 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;Mle-Phe-Mle-D-Phe. Linear tetrapeptide related to pseudoxylallemycin A.
This peptide is linear, unlike cyclic pseudoxylallemycin A, and contains terminal D-Phe, unlike pseudoxylallemycin A that contains Phe.
;
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6MW0 
# 
_pdbx_reference_entity_list.prd_id          PRD_002334 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002334 1 1 C MLE 1 N PHE 2 sing 1 ? ? ? 
PRD_002334 1 2 C PHE 2 N MLE 3 sing 1 ? ? ? 
PRD_002334 1 3 C MLE 3 N DPN 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002334 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002334 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002334 1 1 MLE LEU N Y 
PRD_002334 1 2 PHE PHE N Y 
PRD_002334 1 3 MLE LEU N Y 
PRD_002334 1 4 DPN .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002334 2018-11-05 .    "Create molecule" 
PRD_002334 2019-09-11 RCSB "Initial release" 
# 
data_PRD_002335
# 
_pdbx_reference_molecule.prd_id                       PRD_002335 
_pdbx_reference_molecule.name                         "Linear precursor of pseudoxylallemycin A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H46 N4 O5" 
_pdbx_reference_molecule.formula_weight               566.731 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "Mle-Phe-Mle-Phe. Linear precursor of pseudoxylallemycin A. The peptide is linear, unlike Mle-Phe-Mle-Phe Pseudoxylallemycin A that is cyclic." 
_pdbx_reference_molecule.representative_PDB_id_code   6MVZ 
# 
_pdbx_reference_entity_list.prd_id          PRD_002335 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002335 1 1 C MLE 1 N PHE 2 sing 1 ? ? ? 
PRD_002335 1 2 C PHE 2 N MLE 3 sing 1 ? ? ? 
PRD_002335 1 3 C MLE 3 N PHE 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002335 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002335 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002335 1 1 MLE LEU N Y 
PRD_002335 1 2 PHE PHE N Y 
PRD_002335 1 3 MLE LEU N Y 
PRD_002335 1 4 PHE PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002335 2018-11-05 .    "Create molecule" 
PRD_002335 2019-09-11 RCSB "Initial release" 
# 
data_PRD_002337
# 
_pdbx_reference_molecule.prd_id                       PRD_002337 
_pdbx_reference_molecule.name                         "INHIBITOR ARC-1411" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C61 H119 N34 O9" 
_pdbx_reference_molecule.formula_weight               1472.820 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7OOV 
# 
_pdbx_reference_entity_list.prd_id          PRD_002337 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002337 1 1 N1 6J9 1 C AZ1 2  sing 1 . . . 
PRD_002337 1 2 C9 AZ1 2 N DAR 3  sing 1 . . . 
PRD_002337 1 3 C  DAR 3 N DAR 4  sing 1 . . . 
PRD_002337 1 4 C  DAR 4 N DAR 5  sing 1 . . . 
PRD_002337 1 5 C  DAR 5 N DAR 6  sing 1 . . . 
PRD_002337 1 6 C  DAR 6 N DAR 7  sing 1 . . . 
PRD_002337 1 7 C  DAR 7 N DAR 8  sing 1 . . . 
PRD_002337 1 8 C  DAR 8 N DAR 9  sing 1 . . . 
PRD_002337 1 9 C  DAR 9 N NH2 10 sing 1 . . . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002337 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002337 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002337 1 1  6J9 . N Y 
PRD_002337 1 2  AZ1 . N Y 
PRD_002337 1 3  DAR . N Y 
PRD_002337 1 4  DAR . N Y 
PRD_002337 1 5  DAR . N Y 
PRD_002337 1 6  DAR . N Y 
PRD_002337 1 7  DAR . N Y 
PRD_002337 1 8  DAR . N Y 
PRD_002337 1 9  DAR . N Y 
PRD_002337 1 10 NH2 . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002337 2021-06-06 PDBE "Create molecule"    
PRD_002337 2023-09-20 PDBE "Modify audit"       
PRD_002337 2023-11-03 PDBE "Other modification" 
PRD_002337 2024-03-26 PDBE "Other modification" 
PRD_002337 2024-04-10 RCSB "Initial release"    
# 
data_PRD_002338
# 
_pdbx_reference_molecule.prd_id                       PRD_002338 
_pdbx_reference_molecule.name                         "N-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-L-alanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-valinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C33 H42 N8 O4 S2" 
_pdbx_reference_molecule.formula_weight               678.868 
_pdbx_reference_molecule.chem_comp_id                 KD7 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6N4T 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002338 
_pdbx_reference_entity_subcomponents.seq            "HCI KCJ VAL KCM" 
_pdbx_reference_entity_subcomponents.chem_comp_id   KD7 
# 
_pdbx_reference_entity_list.prd_id          PRD_002338 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002338 1 1 C1 HCI 1 N   KCJ 2 SING 1 ? ? ? 
PRD_002338 1 2 C  KCJ 2 N   VAL 3 SING 1 ? ? ? 
PRD_002338 1 3 C  VAL 3 N30 KCM 4 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002338 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002338 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002338 1 1 HCI .   N Y 
PRD_002338 1 2 KCJ .   N Y 
PRD_002338 1 3 VAL VAL N Y 
PRD_002338 1 4 KCM .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002338 2018-12-07 RCSB "Create molecule"    
PRD_002338 2019-10-02 RCSB "Initial release"    
PRD_002338 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002339
# 
_pdbx_reference_molecule.prd_id                       PRD_002339 
_pdbx_reference_molecule.name                         "Inhibitor ARC-1415" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C55 H106 N30 O8" 
_pdbx_reference_molecule.formula_weight               1315.626 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7OOW 
# 
_pdbx_reference_entity_list.prd_id          PRD_002339 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002339 1 1 N1 6J9 1 C AZ1 2 sing 1 . . . 
PRD_002339 1 2 C9 AZ1 2 N DAR 3 sing 1 . . . 
PRD_002339 1 3 C  DAR 3 N DAR 4 sing 1 . . . 
PRD_002339 1 4 C  DAR 4 N DAR 5 sing 1 . . . 
PRD_002339 1 5 C  DAR 5 N DAR 6 sing 1 . . . 
PRD_002339 1 6 C  DAR 6 N DAR 7 sing 1 . . . 
PRD_002339 1 7 C  DAR 7 N DAR 8 sing 1 . . . 
PRD_002339 1 8 C  DAR 8 N NH2 9 sing 1 . . . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002339 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002339 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002339 1 1 6J9 . N Y 
PRD_002339 1 2 AZ1 . N Y 
PRD_002339 1 3 DAR . N Y 
PRD_002339 1 4 DAR . N Y 
PRD_002339 1 5 DAR . N Y 
PRD_002339 1 6 DAR . N Y 
PRD_002339 1 7 DAR . N Y 
PRD_002339 1 8 DAR . N Y 
PRD_002339 1 9 NH2 . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002339 2021-06-06 PDBE "Create molecule"    
PRD_002339 2023-09-20 PDBE "Modify audit"       
PRD_002339 2023-11-03 PDBE "Other modification" 
PRD_002339 2024-03-26 PDBE "Other modification" 
PRD_002339 2024-04-10 RCSB "Initial release"    
# 
data_PRD_002342
# 
_pdbx_reference_molecule.prd_id                       PRD_002342 
_pdbx_reference_molecule.name                         ? 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        ? 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C51 H66 N14 O11" 
_pdbx_reference_molecule.formula_weight               1051.157 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7P1C 
# 
_pdbx_reference_entity_list.prd_id          PRD_002342 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002342 1 1 C   TRP 1 N  ASN 2 sing 1 ? ? ? 
PRD_002342 1 2 CZ2 TRP 1 O9 UX8 3 sing 1 ? ? ? 
PRD_002342 1 3 C   ASN 2 N  UX8 3 sing 1 ? ? ? 
PRD_002342 1 4 C   UX8 3 N  THR 4 sing 1 ? ? ? 
PRD_002342 1 5 CH2 UX8 3 CB LYS 5 sing 1 ? ? ? 
PRD_002342 1 6 C   THR 4 N  LYS 5 sing 1 ? ? ? 
PRD_002342 1 7 C   LYS 5 N  ARG 6 sing 1 ? ? ? 
PRD_002342 1 8 C   ARG 6 N  PHE 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002342 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002342 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002342 1 1 TRP TRP N Y 
PRD_002342 1 2 ASN ASN N Y 
PRD_002342 1 3 UX8 TRP N Y 
PRD_002342 1 4 THR THR N Y 
PRD_002342 1 5 LYS LYS N Y 
PRD_002342 1 6 ARG ARG N Y 
PRD_002342 1 7 PHE PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002342 2021-07-02 PDBE "Create molecule" 
PRD_002342 2022-04-06 RCSB "Initial release" 
PRD_002342 2023-06-11 RCSB "Modify audit"    
# 
data_PRD_002346
# 
_pdbx_reference_molecule.prd_id                       PRD_002346 
_pdbx_reference_molecule.name                         "Inhibitor ARC-3126" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C58 H108 Br N31 O9 S" 
_pdbx_reference_molecule.formula_weight               1495.649 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7OOX 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002346 1 1 non-polymer "Residue 1 = Remote binding pocket for reinforcement of binding of bifunctional ligand, as well as an optimized tether enabling simultaneous binding of bi-ligand to two distinct sites." 
PRD_002346 2 2 polymer     "Residue 2 to 9 = Protein-protein interaction (PPI) interface area with interaction hot spots."                                                                                           
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002346 1 1 C27 06E 1 N DAR 2 sing 1 ? ? ? 
PRD_002346 1 2 C   DAR 2 N DAR 3 sing 1 ? ? ? 
PRD_002346 1 3 C   DAR 3 N DAR 4 sing 1 ? ? ? 
PRD_002346 1 4 C   DAR 4 N DAR 5 sing 1 ? ? ? 
PRD_002346 1 5 C   DAR 5 N DAR 6 sing 1 ? ? ? 
PRD_002346 1 6 C   DAR 6 N DAR 7 sing 1 ? ? ? 
PRD_002346 1 7 C   DAR 7 N DLY 8 sing 1 ? ? ? 
PRD_002346 1 8 C   DLY 8 N NH2 9 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002346 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002346 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002346 1 1 06E . N Y 
PRD_002346 1 2 DAR . N Y 
PRD_002346 1 3 DAR . N Y 
PRD_002346 1 4 DAR . N Y 
PRD_002346 1 5 DAR . N Y 
PRD_002346 1 6 DAR . N Y 
PRD_002346 1 7 DAR . N Y 
PRD_002346 1 8 DLY . N Y 
PRD_002346 1 9 NH2 . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002346 2021-07-12 PDBE "Create molecule" 
PRD_002346 2021-08-04 RCSB "Initial release" 
PRD_002346 2023-06-11 RCSB "Modify audit"    
# 
data_PRD_002347
# 
_pdbx_reference_molecule.prd_id                       PRD_002347 
_pdbx_reference_molecule.name                         "~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H32 N4 O4" 
_pdbx_reference_molecule.formula_weight               452.546 
_pdbx_reference_molecule.chem_comp_id                 FHR 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6LZE 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002347 
_pdbx_reference_entity_subcomponents.seq            "ICB ALC ELL" 
_pdbx_reference_entity_subcomponents.chem_comp_id   FHR 
# 
_pdbx_reference_entity_list.prd_id          PRD_002347 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002347 1 1 C10 ICB 1 N ALC 2 SING 1 ? ? ? 
PRD_002347 1 2 C   ALC 2 N ELL 3 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002347 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002347 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002347 1 1 ICB .   N Y 
PRD_002347 1 2 ALC ALA N Y 
PRD_002347 1 3 ELL .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002347 2020-05-24 PDBJ "Create molecule"      
PRD_002347 2020-05-27 PDBJ "Modify molecule name" 
PRD_002347 2020-06-03 RCSB "Initial release"      
# 
data_PRD_002349
# 
_pdbx_reference_molecule.prd_id                       PRD_002349 
_pdbx_reference_molecule.name                         "~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H25 F N4 O4" 
_pdbx_reference_molecule.formula_weight               464.489 
_pdbx_reference_molecule.chem_comp_id                 FJC 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6M0K 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002349 
_pdbx_reference_entity_subcomponents.seq            "ICB N0A ELL" 
_pdbx_reference_entity_subcomponents.chem_comp_id   FJC 
# 
_pdbx_reference_entity_list.prd_id          PRD_002349 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002349 1 1 C10 ICB 1 N N0A 2 SING 1 ? ? ? 
PRD_002349 1 2 C   N0A 2 N ELL 3 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002349 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002349 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002349 1 1 ICB .   N Y 
PRD_002349 1 2 N0A PHE N Y 
PRD_002349 1 3 ELL .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002349 2020-05-24 PDBJ "Create molecule"      
PRD_002349 2020-05-27 PDBJ "Modify molecule name" 
PRD_002349 2020-06-03 RCSB "Initial release"      
# 
data_PRD_002350
# 
_pdbx_reference_molecule.prd_id                       PRD_002350 
_pdbx_reference_molecule.name                         "INHIBITOR ARC-1415" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C55 H106 N30 O8" 
_pdbx_reference_molecule.formula_weight               1315.626 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7OOW 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002350 1 1 non-polymer  "Residue 1 = Remote binding pocket for reinforcement of binding of bifunctional ligand."         
PRD_002350 2 2 polymer-like "Residue 2 = Optimized tether enabling simultaneous binding of bi-ligand to two distinct sites." 
PRD_002350 3 3 polymer      "Residue 3 to 9 = Protein-protein interaction (PPI) interface area with interaction hot spots."  
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002350 1 1 N1 6J9 1 C AZ1 2 sing 1 ? ? ? 
PRD_002350 1 2 C9 AZ1 2 N DAR 3 sing 1 ? ? ? 
PRD_002350 1 3 C  DAR 3 N DAR 4 sing 1 ? ? ? 
PRD_002350 1 4 C  DAR 4 N DAR 5 sing 1 ? ? ? 
PRD_002350 1 5 C  DAR 5 N DAR 6 sing 1 ? ? ? 
PRD_002350 1 6 C  DAR 6 N DAR 7 sing 1 ? ? ? 
PRD_002350 1 7 C  DAR 7 N DAR 8 sing 1 ? ? ? 
PRD_002350 1 8 C  DAR 8 N NH2 9 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002350 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002350 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002350 1 1 6J9 . N Y 
PRD_002350 1 2 AZ1 . N Y 
PRD_002350 1 3 DAR . N Y 
PRD_002350 1 4 DAR . N Y 
PRD_002350 1 5 DAR . N Y 
PRD_002350 1 6 DAR . N Y 
PRD_002350 1 7 DAR . N Y 
PRD_002350 1 8 DAR . N Y 
PRD_002350 1 9 NH2 . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002350 2021-07-12 PDBE "Create molecule"    
PRD_002350 2021-08-04 RCSB "Initial release"    
PRD_002350 2023-06-11 RCSB "Modify audit"       
PRD_002350 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002352
# 
_pdbx_reference_molecule.prd_id                       PRD_002352 
_pdbx_reference_molecule.name                         "Z-VAD(OMe)-FMK" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H31 N3 O7" 
_pdbx_reference_molecule.formula_weight               449.497 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7C8B 
# 
_pdbx_reference_entity_list.prd_id          PRD_002352 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002352 1 1 C1 PHQ 1 N  VAL 2 sing 1 ? ? ? 
PRD_002352 1 2 C  VAL 2 N  ALA 3 sing 1 ? ? ? 
PRD_002352 1 3 C  ALA 3 N  FL6 4 sing 1 ? ? ? 
PRD_002352 1 4 C  FL6 4 C1 CF0 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002352 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002352 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002352 1 1 PHQ .   N Y 
PRD_002352 1 2 VAL VAL N Y 
PRD_002352 1 3 ALA ALA N Y 
PRD_002352 1 4 FL6 ASP N Y 
PRD_002352 1 5 CF0 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002352 2020-08-26 PDBJ "Create molecule" 
PRD_002352 2020-09-02 RCSB "Initial release" 
# 
data_PRD_002353
# 
_pdbx_reference_molecule.prd_id                       PRD_002353 
_pdbx_reference_molecule.name                         "Blood group B type 1 antigen, beta anomer" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H45 N O20" 
_pdbx_reference_molecule.formula_weight               691.630 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "B Type 1, blood group B type 1 tetrasaccharide, alpha-D-Galp-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->3)-beta-D-GlcpNAc" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7P8H 
# 
_pdbx_reference_entity_list.prd_id          PRD_002353 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002353 1 1 O3 NAG 1 C1 GAL 2 sing 1 ? ? ? 
PRD_002353 1 2 O2 GAL 2 C1 FUC 3 sing 1 ? ? ? 
PRD_002353 1 3 O3 GAL 2 C1 GLA 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002353 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         CHEBI 
_pdbx_reference_entity_poly.db_name         CHEBI:63242 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002353 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002353 1 1 NAG . N Y 
PRD_002353 1 2 GAL . N Y 
PRD_002353 1 3 FUC . N Y 
PRD_002353 1 4 GLA . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002353 2021-08-17 PDBE "Create molecule" 
PRD_002353 2022-03-02 RCSB "Initial release" 
PRD_002353 2023-06-11 RCSB "Modify audit"    
# 
data_PRD_002355
# 
_pdbx_reference_molecule.prd_id                       PRD_002355 
_pdbx_reference_molecule.name                         "Microcin C" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C38 H63 N17 O17 P S" 
_pdbx_reference_molecule.formula_weight               1093.049 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   5K99 
# 
_pdbx_reference_entity_list.prd_id          PRD_002355 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002355 1 1 C  MET 1 N ARG 2 sing 1 ? ? ? 
PRD_002355 1 2 C  ARG 2 N THR 3 sing 1 ? ? ? 
PRD_002355 1 3 C  THR 3 N GLY 4 sing 1 ? ? ? 
PRD_002355 1 4 C  GLY 4 N ASN 5 sing 1 ? ? ? 
PRD_002355 1 5 C  ASN 5 N ALA 6 sing 1 ? ? ? 
PRD_002355 1 6 C  ALA 6 N XSN 7 sing 1 ? ? ? 
PRD_002355 1 7 N1 XSN 7 P AMP 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002355 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002355 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002355 1 1 MET MET N N 
PRD_002355 1 2 ARG ARG N Y 
PRD_002355 1 3 THR THR N Y 
PRD_002355 1 4 GLY GLY N Y 
PRD_002355 1 5 ASN ASN N Y 
PRD_002355 1 6 ALA ALA N Y 
PRD_002355 1 7 XSN ASN N Y 
PRD_002355 1 8 AMP .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002355 2019-07-01 .    "Create molecule" 
PRD_002355 2019-07-10 RCSB "Initial release" 
# 
data_PRD_002357
# 
_pdbx_reference_molecule.prd_id                       PRD_002357 
_pdbx_reference_molecule.name                         "SHV-WFP-SER-PRO-YCP-ALA-MP8 Acyldepsipeptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C39 H54 F2 N6 O8" 
_pdbx_reference_molecule.formula_weight               772.878 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6PMD 
# 
_pdbx_reference_entity_list.prd_id          PRD_002357 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002357 1 1 C1 SHV 1 N WFP 2 sing 1 ? ? ? 
PRD_002357 1 2 C  WFP 2 N SER 3 sing 1 ? ? ? 
PRD_002357 1 3 OG SER 3 C MP8 7 sing 1 ? ? ? 
PRD_002357 1 4 C  SER 3 N PRO 4 sing 1 ? ? ? 
PRD_002357 1 5 C  PRO 4 N YCP 5 sing 1 ? ? ? 
PRD_002357 1 6 C  YCP 5 N ALA 6 sing 1 ? ? ? 
PRD_002357 1 7 C  ALA 6 N MP8 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002357 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002357 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002357 1 1 SHV .   N Y 
PRD_002357 1 2 WFP PHE N Y 
PRD_002357 1 3 SER SER N Y 
PRD_002357 1 4 PRO PRO N Y 
PRD_002357 1 5 YCP .   N Y 
PRD_002357 1 6 ALA ALA N Y 
PRD_002357 1 7 MP8 PRO N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002357 2019-07-02 .    "Create molecule" 
PRD_002357 2019-11-06 RCSB "Initial release" 
# 
data_PRD_002359
# 
_pdbx_reference_molecule.prd_id                       PRD_002359 
_pdbx_reference_molecule.name                         "OO1-WFP-SER-PRO-YCP-ALA-MP8 ureadepsipeptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C40 H49 F2 N7 O8" 
_pdbx_reference_molecule.formula_weight               793.856 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6PKA 
# 
_pdbx_reference_entity_list.prd_id          PRD_002359 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002359 1 1 C48 OO1 1 N WFP 2 sing 1 ? ? ? 
PRD_002359 1 2 C   WFP 2 N SER 3 sing 1 ? ? ? 
PRD_002359 1 3 OG  SER 3 C MP8 7 sing 1 ? ? ? 
PRD_002359 1 4 C   SER 3 N PRO 4 sing 1 ? ? ? 
PRD_002359 1 5 C   PRO 4 N YCP 5 sing 1 ? ? ? 
PRD_002359 1 6 C   YCP 5 N ALA 6 sing 1 ? ? ? 
PRD_002359 1 7 C   ALA 6 N MP8 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002359 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002359 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002359 1 1 OO1 .   N Y 
PRD_002359 1 2 WFP PHE N Y 
PRD_002359 1 3 SER SER N Y 
PRD_002359 1 4 PRO PRO N Y 
PRD_002359 1 5 YCP .   N Y 
PRD_002359 1 6 ALA ALA N Y 
PRD_002359 1 7 MP8 PRO N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002359 2019-07-03 .    "Create molecule" 
PRD_002359 2019-11-06 RCSB "Initial release" 
# 
data_PRD_002360
# 
_pdbx_reference_molecule.prd_id                       PRD_002360 
_pdbx_reference_molecule.name                         "myristoyl thiourea inhibitor, No. 23" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C37 H67 N9 O5 S" 
_pdbx_reference_molecule.formula_weight               750.050 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7BOT 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002360 1 1 polymer     .   
PRD_002360 2 2 non-polymer F4R 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002360 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            N-dodecylmethanethioamide 
_pdbx_reference_entity_nonpoly.chem_comp_id    F4R 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_link.prd_id              PRD_002360 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    2 
_pdbx_reference_entity_link.comp_id_1           LYS 
_pdbx_reference_entity_link.atom_id_1           NZ 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    . 
_pdbx_reference_entity_link.comp_id_2           F4R 
_pdbx_reference_entity_link.atom_id_2           C18 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             . 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002360 1 1 C19 P6S 1 N LYS 2 sing 1 ? ? ? 
PRD_002360 1 2 C   LYS 2 N AIB 3 sing 1 ? ? ? 
PRD_002360 1 3 C   AIB 3 N ARG 4 sing 1 ? ? ? 
PRD_002360 1 4 C   ARG 4 N NH2 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002360 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002360 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002360 1 1 P6S .   N Y 
PRD_002360 1 2 LYS LYS N Y 
PRD_002360 1 3 AIB ALA N Y 
PRD_002360 1 4 ARG ARG N Y 
PRD_002360 1 5 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002360 2021-03-15 .    "Create molecule" 
PRD_002360 2021-03-24 RCSB "Initial release" 
# 
data_PRD_002361
# 
_pdbx_reference_molecule.prd_id                       PRD_002361 
_pdbx_reference_molecule.name                         "myristoyl thiourea inhibitor, No.13" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C39 H73 N12 O5 S" 
_pdbx_reference_molecule.formula_weight               822.139 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7BOS 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002361 1 1 polymer     .   
PRD_002361 2 2 non-polymer F4R 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002361 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            N-dodecylmethanethioamide 
_pdbx_reference_entity_nonpoly.chem_comp_id    F4R 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_link.prd_id              PRD_002361 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    2 
_pdbx_reference_entity_link.comp_id_1           LYS 
_pdbx_reference_entity_link.atom_id_1           NZ 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    . 
_pdbx_reference_entity_link.comp_id_2           F4R 
_pdbx_reference_entity_link.atom_id_2           C18 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             . 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002361 1 1 C19 P6S 1 N LYS 2 sing 1 ? ? ? 
PRD_002361 1 2 C   LYS 2 N ARG 3 sing 1 ? ? ? 
PRD_002361 1 3 C   ARG 3 N ARG 4 sing 1 ? ? ? 
PRD_002361 1 4 C   ARG 4 N NH2 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002361 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002361 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002361 1 1 P6S .   N Y 
PRD_002361 1 2 LYS LYS N Y 
PRD_002361 1 3 ARG ARG N Y 
PRD_002361 1 4 ARG ARG N Y 
PRD_002361 1 5 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002361 2021-03-15 .    "Create molecule" 
PRD_002361 2021-03-24 RCSB "Initial release" 
# 
data_PRD_002362
# 
_pdbx_reference_molecule.prd_id                       PRD_002362 
_pdbx_reference_molecule.name                         "GsIN-1 peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C79 H106 N16 O21 S" 
_pdbx_reference_molecule.formula_weight               1647.847 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7BPH 
# 
_pdbx_reference_entity_list.prd_id          PRD_002362 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002362 1 1  C   ACE 1  N  DTY 2  sing 1 ? ? ? 
PRD_002362 1 2  CH3 ACE 1  SG CYS 14 sing 1 ? ? ? 
PRD_002362 1 3  C   DTY 2  N  PHE 3  sing 1 ? ? ? 
PRD_002362 1 4  C   PHE 3  N  GLU 4  sing 1 ? ? ? 
PRD_002362 1 5  C   GLU 4  N  SER 5  sing 1 ? ? ? 
PRD_002362 1 6  C   SER 5  N  VAL 6  sing 1 ? ? ? 
PRD_002362 1 7  C   VAL 6  N  TYR 7  sing 1 ? ? ? 
PRD_002362 1 8  C   TYR 7  N  ALA 8  sing 1 ? ? ? 
PRD_002362 1 9  C   ALA 8  N  ILE 9  sing 1 ? ? ? 
PRD_002362 1 10 C   ILE 9  N  TRP 10 sing 1 ? ? ? 
PRD_002362 1 11 C   TRP 10 N  GLY 11 sing 1 ? ? ? 
PRD_002362 1 12 C   GLY 11 N  THR 12 sing 1 ? ? ? 
PRD_002362 1 13 C   THR 12 N  LEU 13 sing 1 ? ? ? 
PRD_002362 1 14 C   LEU 13 N  CYS 14 sing 1 ? ? ? 
PRD_002362 1 15 C   CYS 14 N  GLY 15 sing 1 ? ? ? 
PRD_002362 1 16 C   GLY 15 N  NH2 16 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002362 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002362 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002362 1 1  ACE .   N Y 
PRD_002362 1 2  DTY .   N Y 
PRD_002362 1 3  PHE PHE N Y 
PRD_002362 1 4  GLU GLU N Y 
PRD_002362 1 5  SER SER N Y 
PRD_002362 1 6  VAL VAL N Y 
PRD_002362 1 7  TYR TYR N Y 
PRD_002362 1 8  ALA ALA N Y 
PRD_002362 1 9  ILE ILE N Y 
PRD_002362 1 10 TRP TRP N Y 
PRD_002362 1 11 GLY GLY N Y 
PRD_002362 1 12 THR THR N Y 
PRD_002362 1 13 LEU LEU N Y 
PRD_002362 1 14 CYS CYS N Y 
PRD_002362 1 15 GLY GLY N Y 
PRD_002362 1 16 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002362 2021-04-14 .    "Create molecule" 
PRD_002362 2021-04-21 RCSB "Initial release" 
# 
data_PRD_002363
# 
_pdbx_reference_molecule.prd_id                       PRD_002363 
_pdbx_reference_molecule.name                         "Organo-peptide PCSK9 inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C73 H120 N20 O13" 
_pdbx_reference_molecule.formula_weight               1485.860 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6U2F 
# 
_pdbx_reference_entity_list.prd_id          PRD_002363 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002363 1 1  C PQG 1  N TRP 2  sing 1 ? ? ? 
PRD_002363 1 2  C TRP 2  N ASN 3  sing 1 ? ? ? 
PRD_002363 1 3  C ASN 3  N LEU 4  sing 1 ? ? ? 
PRD_002363 1 4  C LEU 4  N LYS 5  sing 1 ? ? ? 
PRD_002363 1 5  C LYS 5  N HRG 6  sing 1 ? ? ? 
PRD_002363 1 6  C HRG 6  N ILE 7  sing 1 ? ? ? 
PRD_002363 1 7  C ILE 7  N GLY 8  sing 1 ? ? ? 
PRD_002363 1 8  C GLY 8  N LEU 9  sing 1 ? ? ? 
PRD_002363 1 9  C LEU 9  N LEU 10 sing 1 ? ? ? 
PRD_002363 1 10 C LEU 10 N ARG 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002363 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002363 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002363 1 1  PQG .   N Y 
PRD_002363 1 2  TRP TRP N Y 
PRD_002363 1 3  ASN ASN N Y 
PRD_002363 1 4  LEU LEU N Y 
PRD_002363 1 5  LYS LYS N Y 
PRD_002363 1 6  HRG ARG N Y 
PRD_002363 1 7  ILE ILE N Y 
PRD_002363 1 8  GLY GLY N Y 
PRD_002363 1 9  LEU LEU N Y 
PRD_002363 1 10 LEU LEU N Y 
PRD_002363 1 11 ARG ARG N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002363 2019-08-20 .    "Create molecule"      
PRD_002363 2020-08-12 RCSB "Initial release"      
PRD_002363 2023-11-03 PDBE "Other modification"   
PRD_002363 2025-02-04 RCSB "Modify molecule name" 
# 
data_PRD_002365
# 
_pdbx_reference_molecule.prd_id                       PRD_002365 
_pdbx_reference_molecule.name                         phazolicin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antimicrobial 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C74 H111 N29 O27 S3" 
_pdbx_reference_molecule.formula_weight               1935.046 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6U48 
# 
_pdbx_reference_entity_list.prd_id          PRD_002365 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002365 1 1  C THR 1  N   BB9 2  sing 1 ? ? ? 
PRD_002365 1 2  C THR 1  SG  BB9 2  sing 1 ? ? ? 
PRD_002365 1 3  C BB9 2  N   ALA 3  sing 1 ? ? ? 
PRD_002365 1 4  C ALA 3  N   ARG 4  sing 1 ? ? ? 
PRD_002365 1 5  C ARG 4  N   BB9 5  sing 1 ? ? ? 
PRD_002365 1 6  C ARG 4  SG  BB9 5  sing 1 ? ? ? 
PRD_002365 1 7  C BB9 5  N   ASP 6  sing 1 ? ? ? 
PRD_002365 1 8  C ASP 6  N   SER 7  sing 1 ? ? ? 
PRD_002365 1 9  C SER 7  OEV A0G 8  sing 1 ? ? ? 
PRD_002365 1 10 C SER 7  N   A0G 8  sing 1 ? ? ? 
PRD_002365 1 11 C A0G 8  N   SER 9  sing 1 ? ? ? 
PRD_002365 1 12 C SER 9  N   ARG 10 sing 1 ? ? ? 
PRD_002365 1 13 C ARG 10 N   BB9 11 sing 1 ? ? ? 
PRD_002365 1 14 C ARG 10 SG  BB9 11 sing 1 ? ? ? 
PRD_002365 1 15 C BB9 11 N   GLY 12 sing 1 ? ? ? 
PRD_002365 1 16 C GLY 12 N   ALA 13 sing 1 ? ? ? 
PRD_002365 1 17 C ALA 13 OEV A0G 14 sing 1 ? ? ? 
PRD_002365 1 18 C ALA 13 N   A0G 14 sing 1 ? ? ? 
PRD_002365 1 19 C A0G 14 N   GLY 15 sing 1 ? ? ? 
PRD_002365 1 20 C GLY 15 N   LYS 16 sing 1 ? ? ? 
PRD_002365 1 21 C LYS 16 OEV A0G 17 sing 1 ? ? ? 
PRD_002365 1 22 C LYS 16 N   A0G 17 sing 1 ? ? ? 
PRD_002365 1 23 C A0G 17 N   SER 18 sing 1 ? ? ? 
PRD_002365 1 24 C SER 18 N   GLY 19 sing 1 ? ? ? 
PRD_002365 1 25 C GLY 19 OEV A0G 20 sing 1 ? ? ? 
PRD_002365 1 26 C GLY 19 N   A0G 20 sing 1 ? ? ? 
PRD_002365 1 27 C A0G 20 N   ALA 21 sing 1 ? ? ? 
PRD_002365 1 28 C ALA 21 N   SER 22 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002365 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002365 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002365 1 1  THR THR N Y 
PRD_002365 1 2  BB9 CYS N Y 
PRD_002365 1 3  ALA ALA N Y 
PRD_002365 1 4  ARG ARG N Y 
PRD_002365 1 5  BB9 CYS N Y 
PRD_002365 1 6  ASP ASP N Y 
PRD_002365 1 7  SER SER N Y 
PRD_002365 1 8  A0G .   N Y 
PRD_002365 1 9  SER SER N Y 
PRD_002365 1 10 ARG ARG N Y 
PRD_002365 1 11 BB9 CYS N Y 
PRD_002365 1 12 GLY GLY N Y 
PRD_002365 1 13 ALA ALA N Y 
PRD_002365 1 14 A0G .   N Y 
PRD_002365 1 15 GLY GLY N Y 
PRD_002365 1 16 LYS LYS N Y 
PRD_002365 1 17 A0G .   N Y 
PRD_002365 1 18 SER SER N Y 
PRD_002365 1 19 GLY GLY N Y 
PRD_002365 1 20 A0G .   N Y 
PRD_002365 1 21 ALA ALA N Y 
PRD_002365 1 22 SER SER N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_002365 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1223565 
_pdbx_reference_entity_src_nat.organism_scientific   "Rhizobium sp. Pop5" 
_pdbx_reference_entity_src_nat.source                . 
_pdbx_reference_entity_src_nat.db_code               . 
_pdbx_reference_entity_src_nat.db_name               . 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002365 2019-08-26 .    "Create molecule"      
PRD_002365 2019-08-27 .    "Modify molecule name" 
PRD_002365 2020-08-12 RCSB "Initial release"      
PRD_002365 2023-11-03 PDBE "Other modification"   
# 
data_PRD_002366
# 
_pdbx_reference_molecule.prd_id                       PRD_002366 
_pdbx_reference_molecule.name                         Phalloidin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Toxin 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H48 N8 O11 S" 
_pdbx_reference_molecule.formula_weight               788.868 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7PLU 
# 
_pdbx_reference_entity_list.prd_id          PRD_002366 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002366 1 1 N   TRP 1 C  ALA 7 sing 1 ? ? ? 
PRD_002366 1 2 C   TRP 1 N  EEP 2 sing 1 ? ? ? 
PRD_002366 1 3 CD1 TRP 1 SG CYS 5 sing 1 ? ? ? 
PRD_002366 1 4 C   EEP 2 N  ALA 3 sing 1 ? ? ? 
PRD_002366 1 5 C   ALA 3 N  DTH 4 sing 1 ? ? ? 
PRD_002366 1 6 C   DTH 4 N  CYS 5 sing 1 ? ? ? 
PRD_002366 1 7 C   CYS 5 N  HYP 6 sing 1 ? ? ? 
PRD_002366 1 8 C   HYP 6 N  ALA 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002366 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002366 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002366 1 1 TRP TRP N Y 
PRD_002366 1 2 EEP .   N Y 
PRD_002366 1 3 ALA ALA N Y 
PRD_002366 1 4 DTH .   N Y 
PRD_002366 1 5 CYS CYS N Y 
PRD_002366 1 6 HYP PRO N Y 
PRD_002366 1 7 ALA ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002366 2021-09-13 PDBE "Create molecule" 
PRD_002366 2021-12-22 RCSB "Initial release" 
PRD_002366 2023-05-09 RCSB "Modify audit"    
# 
data_PRD_002367
# 
_pdbx_reference_molecule.prd_id                       PRD_002367 
_pdbx_reference_molecule.name                         "~{N}-[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]-1-methyl-4-[3-[[1-methyl-4-[[1-methyl-4-[3-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]imidazole-2-carboxamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        ? 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C41 H55 N17 O8" 
_pdbx_reference_molecule.formula_weight               913.984 
_pdbx_reference_molecule.chem_comp_id                 5R3 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7FGT 
# 
_pdbx_reference_entity_list.prd_id          PRD_002367 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            non-polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002367 1 1 C81 9TK 1 N PYB 2 sing 1 ? ? ? 
PRD_002367 1 2 C   PYB 2 N BAL 3 sing 1 ? ? ? 
PRD_002367 1 3 C   BAL 3 N IMT 4 sing 1 ? ? ? 
PRD_002367 1 4 C   IMT 4 N PYB 5 sing 1 ? ? ? 
PRD_002367 1 5 C   PYB 5 N BAL 6 sing 1 ? ? ? 
PRD_002367 1 6 C   BAL 6 N IMT 7 sing 1 ? ? ? 
PRD_002367 1 7 C   IMT 7 N BAL 8 sing 1 ? ? ? 
PRD_002367 1 8 C   BAL 8 N DIB 9 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002367 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002367 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002367 1 1 9TK . N Y 
PRD_002367 1 2 PYB . N Y 
PRD_002367 1 3 BAL . N Y 
PRD_002367 1 4 IMT . N Y 
PRD_002367 1 5 PYB . N Y 
PRD_002367 1 6 BAL . N Y 
PRD_002367 1 7 IMT . N Y 
PRD_002367 1 8 BAL . N Y 
PRD_002367 1 9 DIB . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002367 2021-08-24 PDBJ "Create molecule"      
PRD_002367 2022-08-03 RCSB "Initial release"      
PRD_002367 2025-02-04 RCSB "Modify molecule name" 
# 
data_PRD_002368
# 
_pdbx_reference_molecule.prd_id                       PRD_002368 
_pdbx_reference_molecule.name                         "cyclo-Mle-Phe-Mle-D-Phe. D-Phe analogue of pseudoxylallemycin A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H44 N4 O4" 
_pdbx_reference_molecule.formula_weight               548.716 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6MW2 
# 
_pdbx_reference_entity_list.prd_id          PRD_002368 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002368 1 1 N MLE 1 C DPN 4 sing 1 ? ? ? 
PRD_002368 1 2 C MLE 1 N PHE 2 sing 1 ? ? ? 
PRD_002368 1 3 C PHE 2 N MLE 3 sing 1 ? ? ? 
PRD_002368 1 4 C MLE 3 N DPN 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002368 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002368 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002368 1 1 MLE LEU N Y 
PRD_002368 1 2 PHE PHE N Y 
PRD_002368 1 3 MLE LEU N Y 
PRD_002368 1 4 DPN .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002368 2019-09-26 RCSB "Create molecule" 
PRD_002368 2019-10-02 RCSB "Initial release" 
# 
data_PRD_002369
# 
_pdbx_reference_molecule.prd_id                       PRD_002369 
_pdbx_reference_molecule.name                         ecumicin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C83 H135 N14 O17" 
_pdbx_reference_molecule.formula_weight               1601.044 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6PBS 
# 
_pdbx_reference_entity_list.prd_id          PRD_002369 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002369 1 1  C   O7G 1  N   VAL 2  sing 1 ? ? ? 
PRD_002369 1 2  C   VAL 2  N   IML 3  sing 1 ? ? ? 
PRD_002369 1 3  C   IML 3  N   THR 4  sing 1 ? ? ? 
PRD_002369 1 4  C   THR 4  NBH O7A 5  sing 1 ? ? ? 
PRD_002369 1 5  OG1 THR 4  C   VAL 13 sing 1 ? ? ? 
PRD_002369 1 6  CBM O7A 5  N   VAL 6  sing 1 ? ? ? 
PRD_002369 1 7  C   VAL 6  N   MLE 7  sing 1 ? ? ? 
PRD_002369 1 8  C   MLE 7  N   VAL 8  sing 1 ? ? ? 
PRD_002369 1 9  C   VAL 8  N   MVA 9  sing 1 ? ? ? 
PRD_002369 1 10 C   MVA 9  N   O7D 10 sing 1 ? ? ? 
PRD_002369 1 11 C   O7D 10 N   VAL 11 sing 1 ? ? ? 
PRD_002369 1 12 C   VAL 11 N   H14 12 sing 1 ? ? ? 
PRD_002369 1 13 C   H14 12 N   VAL 13 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002369 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002369 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002369 1 1  O7G VAL N Y 
PRD_002369 1 2  VAL VAL N Y 
PRD_002369 1 3  IML ILE N Y 
PRD_002369 1 4  THR THR N Y 
PRD_002369 1 5  O7A THR N Y 
PRD_002369 1 6  VAL VAL N Y 
PRD_002369 1 7  MLE LEU N Y 
PRD_002369 1 8  VAL VAL N Y 
PRD_002369 1 9  MVA VAL N Y 
PRD_002369 1 10 O7D TRP N Y 
PRD_002369 1 11 VAL VAL N Y 
PRD_002369 1 12 H14 PHE N Y 
PRD_002369 1 13 VAL VAL N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002369 2019-12-04 .    "Create molecule"    
PRD_002369 2020-05-13 RCSB "Initial release"    
PRD_002369 2023-11-03 PDBE "Other modification" 
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Nonomuraea sp. MJM5123" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002369 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 1562372 
# 
data_PRD_002370
# 
_pdbx_reference_molecule.prd_id                       PRD_002370 
_pdbx_reference_molecule.name                         Taltirelin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C17 H24 N7 O5" 
_pdbx_reference_molecule.formula_weight               406.416 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7X1T 
# 
_pdbx_reference_entity_list.prd_id          PRD_002370 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002370 1 1 N RGI 1 CG ASP 2 sing 1 ? ? ? 
PRD_002370 1 2 C RGI 1 N  ASP 2 sing 1 ? ? ? 
PRD_002370 1 3 C ASP 2 N  HIS 3 sing 1 ? ? ? 
PRD_002370 1 4 C HIS 3 N  PRO 4 sing 1 ? ? ? 
PRD_002370 1 5 C PRO 4 N  NH2 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002370 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002370 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002370 1 1 RGI .   N Y 
PRD_002370 1 2 ASP ASP N Y 
PRD_002370 1 3 HIS HIS N Y 
PRD_002370 1 4 PRO PRO N Y 
PRD_002370 1 5 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002370 2022-03-14 PDBJ "Create molecule" 
PRD_002370 2022-08-31 RCSB "Initial release" 
# 
data_PRD_002371
# 
_pdbx_reference_molecule.prd_id                       PRD_002371 
_pdbx_reference_molecule.name                         "Endogenous Peptide Agonist TRH" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C16 H23 N6 O4" 
_pdbx_reference_molecule.formula_weight               363.392 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7X1U 
# 
_pdbx_reference_entity_list.prd_id          PRD_002371 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002371 1 1 C PCA 1 N HIS 2 sing 1 ? ? ? 
PRD_002371 1 2 C HIS 2 N PRO 3 sing 1 ? ? ? 
PRD_002371 1 3 C PRO 3 N NH2 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002371 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002371 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002371 1 1 PCA GLN N Y 
PRD_002371 1 2 HIS HIS N Y 
PRD_002371 1 3 PRO PRO N Y 
PRD_002371 1 4 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002371 2022-03-14 PDBJ "Create molecule" 
PRD_002371 2022-08-31 RCSB "Initial release" 
# 
data_PRD_002372
# 
_pdbx_reference_molecule.prd_id                       PRD_002372 
_pdbx_reference_molecule.name                         ACE-VAL-ARG-MET-QZA 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H43 Cl N7 O5 S" 
_pdbx_reference_molecule.formula_weight               553.139 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6VJ8 
# 
_pdbx_reference_entity_list.prd_id          PRD_002372 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002372 1 1 C ACE 1 N VAL 2 sing 1 ? ? ? 
PRD_002372 1 2 C VAL 2 N ARG 3 sing 1 ? ? ? 
PRD_002372 1 3 C ARG 3 N MET 4 sing 1 ? ? ? 
PRD_002372 1 4 C MET 4 N QZA 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002372 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002372 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002372 1 1 ACE .   N Y 
PRD_002372 1 2 VAL VAL N Y 
PRD_002372 1 3 ARG ARG N Y 
PRD_002372 1 4 MET MET N Y 
PRD_002372 1 5 QZA .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002372 2020-01-16 .    "Create molecule" 
PRD_002372 2020-09-16 RCSB "Initial release" 
# 
data_PRD_002373
# 
_pdbx_reference_molecule.prd_id                       PRD_002373 
_pdbx_reference_molecule.name                         ACE-VAL-ARG-MET-B2A 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H41 B N7 O6 S" 
_pdbx_reference_molecule.formula_weight               518.459 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6VJ9 
# 
_pdbx_reference_entity_list.prd_id          PRD_002373 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002373 1 1 C ACE 1 N VAL 2 sing 1 ? ? ? 
PRD_002373 1 2 C VAL 2 N ARG 3 sing 1 ? ? ? 
PRD_002373 1 3 C ARG 3 N MET 4 sing 1 ? ? ? 
PRD_002373 1 4 C MET 4 N B2A 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002373 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002373 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002373 1 1 ACE .   N Y 
PRD_002373 1 2 VAL VAL N Y 
PRD_002373 1 3 ARG ARG N Y 
PRD_002373 1 4 MET MET N Y 
PRD_002373 1 5 B2A ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002373 2020-01-16 .    "Create molecule" 
PRD_002373 2020-09-16 RCSB "Initial release" 
# 
data_PRD_002374
# 
_pdbx_reference_molecule.prd_id                       PRD_002374 
_pdbx_reference_molecule.name                         "cyclic trypsin inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Trypsin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C66 H106 N18 O18" 
_pdbx_reference_molecule.formula_weight               1439.658 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6VXY 
# 
_pdbx_reference_entity_list.prd_id          PRD_002374 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002374 1 1  N GLY 1  C ASP 14 sing 1 ? ? ? 
PRD_002374 1 2  C GLY 1  N ARG 2  sing 1 ? ? ? 
PRD_002374 1 3  C ARG 2  N GLY 3  sing 1 ? ? ? 
PRD_002374 1 4  C GLY 3  N THR 4  sing 1 ? ? ? 
PRD_002374 1 5  C THR 4  N LYS 5  sing 1 ? ? ? 
PRD_002374 1 6  C LYS 5  N SER 6  sing 1 ? ? ? 
PRD_002374 1 7  C SER 6  N ILE 7  sing 1 ? ? ? 
PRD_002374 1 8  C ILE 7  N PRO 8  sing 1 ? ? ? 
PRD_002374 1 9  C PRO 8  N PRO 9  sing 1 ? ? ? 
PRD_002374 1 10 C PRO 9  N ILE 10 sing 1 ? ? ? 
PRD_002374 1 11 C ILE 10 N ALA 11 sing 1 ? ? ? 
PRD_002374 1 12 C ALA 11 N PHE 12 sing 1 ? ? ? 
PRD_002374 1 13 C PHE 12 N PRO 13 sing 1 ? ? ? 
PRD_002374 1 14 C PRO 13 N ASP 14 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002374 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002374 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002374 1 1  GLY GLY N Y 
PRD_002374 1 2  ARG ARG N Y 
PRD_002374 1 3  GLY GLY N Y 
PRD_002374 1 4  THR THR N Y 
PRD_002374 1 5  LYS LYS N Y 
PRD_002374 1 6  SER SER N Y 
PRD_002374 1 7  ILE ILE N Y 
PRD_002374 1 8  PRO PRO N Y 
PRD_002374 1 9  PRO PRO N Y 
PRD_002374 1 10 ILE ILE N Y 
PRD_002374 1 11 ALA ALA N Y 
PRD_002374 1 12 PHE PHE N Y 
PRD_002374 1 13 PRO PRO N Y 
PRD_002374 1 14 ASP ASP N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002374 2020-02-25 .    "Create molecule"    
PRD_002374 2020-07-01 RCSB "Initial release"    
PRD_002374 2020-07-02 RCSB "Other modification" 
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Helianthus annuus" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002374 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 4232 
# 
data_PRD_002375
# 
_pdbx_reference_molecule.prd_id                       PRD_002375 
_pdbx_reference_molecule.name                         "cyclic trypsin inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polypeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Trypsin inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C69 H109 N21 O18" 
_pdbx_reference_molecule.formula_weight               1520.734 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6VY8 
# 
_pdbx_reference_entity_list.prd_id          PRD_002375 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002375 1 1  N  GLY 1  C   ASP 14 sing 1 ? ? ? 
PRD_002375 1 2  C  GLY 1  N   ARG 2  sing 1 ? ? ? 
PRD_002375 1 3  C  ARG 2  N   RVJ 3  sing 1 ? ? ? 
PRD_002375 1 4  NG RVJ 3  C1E 2AG 11 sing 1 ? ? ? 
PRD_002375 1 5  NE RVJ 3  C1A 2AG 11 sing 1 ? ? ? 
PRD_002375 1 6  C  RVJ 3  N   THR 4  sing 1 ? ? ? 
PRD_002375 1 7  C  THR 4  N   LYS 5  sing 1 ? ? ? 
PRD_002375 1 8  C  LYS 5  N   SER 6  sing 1 ? ? ? 
PRD_002375 1 9  C  SER 6  N   ILE 7  sing 1 ? ? ? 
PRD_002375 1 10 C  ILE 7  N   PRO 8  sing 1 ? ? ? 
PRD_002375 1 11 C  PRO 8  N   PRO 9  sing 1 ? ? ? 
PRD_002375 1 12 C  PRO 9  N   ILE 10 sing 1 ? ? ? 
PRD_002375 1 13 C  ILE 10 N   2AG 11 sing 1 ? ? ? 
PRD_002375 1 14 C  2AG 11 N   PHE 12 sing 1 ? ? ? 
PRD_002375 1 15 C  PHE 12 N   PRO 13 sing 1 ? ? ? 
PRD_002375 1 16 C  PRO 13 N   ASP 14 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002375 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002375 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002375 1 1  GLY GLY N Y 
PRD_002375 1 2  ARG ARG N Y 
PRD_002375 1 3  RVJ ALA N Y 
PRD_002375 1 4  THR THR N Y 
PRD_002375 1 5  LYS LYS N Y 
PRD_002375 1 6  SER SER N Y 
PRD_002375 1 7  ILE ILE N Y 
PRD_002375 1 8  PRO PRO N Y 
PRD_002375 1 9  PRO PRO N Y 
PRD_002375 1 10 ILE ILE N Y 
PRD_002375 1 11 2AG ALA N Y 
PRD_002375 1 12 PHE PHE N Y 
PRD_002375 1 13 PRO PRO N Y 
PRD_002375 1 14 ASP ASP N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002375 2020-02-26 .    "Create molecule"    
PRD_002375 2020-07-01 RCSB "Initial release"    
PRD_002375 2020-07-02 RCSB "Other modification" 
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Helianthus annuus" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002375 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 4232 
# 
data_PRD_002377
# 
_pdbx_reference_molecule.prd_id                       PRD_002377 
_pdbx_reference_molecule.name                         "Macrocyclic peptide TDI5575 " 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C39 H39 F N4 O5" 
_pdbx_reference_molecule.formula_weight               662.749 
_pdbx_reference_molecule.chem_comp_id                 U5Y 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6WNK 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002377 
_pdbx_reference_entity_subcomponents.seq            "HCI M6J TYR U5V" 
_pdbx_reference_entity_subcomponents.chem_comp_id   U5Y 
# 
_pdbx_reference_entity_list.prd_id          PRD_002377 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002377 1 1 C1    HCI 1 N21 M6J 2 SING 1 ? ? ? 
PRD_002377 1 2 "C3'" HCI 1 OH  TYR 3 SING 1 ? ? ? 
PRD_002377 1 3 C04   M6J 2 N   TYR 3 SING 1 ? ? ? 
PRD_002377 1 4 C     TYR 3 N23 U5V 4 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002377 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002377 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002377 1 1 HCI .   N Y 
PRD_002377 1 2 M6J .   N Y 
PRD_002377 1 3 TYR TYR N Y 
PRD_002377 1 4 U5V .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002377 2020-04-28 .    "Create molecule" 
PRD_002377 2021-04-28 RCSB "Initial release" 
# 
data_PRD_002379
# 
_pdbx_reference_molecule.prd_id                       PRD_002379 
_pdbx_reference_molecule.name                         "thiopeptide TP1" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C83 H108 N19 O17 S2" 
_pdbx_reference_molecule.formula_weight               1707.993 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7XZQ 
# 
_pdbx_reference_entity_list.prd_id          PRD_002379 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002379 1 1  C  DHA 1  N  TRP 2  sing 1 ? ? ? 
PRD_002379 1 2  CA DHA 1  C  BB9 15 sing 1 ? ? ? 
PRD_002379 1 3  CB DHA 1  CB DHA 16 sing 1 ? ? ? 
PRD_002379 1 4  C  TRP 2  N  GLY 3  sing 1 ? ? ? 
PRD_002379 1 5  C  GLY 3  N  PHE 4  sing 1 ? ? ? 
PRD_002379 1 6  C  PHE 4  N  ILE 5  sing 1 ? ? ? 
PRD_002379 1 7  C  ILE 5  N  TYR 6  sing 1 ? ? ? 
PRD_002379 1 8  C  TYR 6  N  LYS 7  sing 1 ? ? ? 
PRD_002379 1 9  C  LYS 7  N  THR 8  sing 1 ? ? ? 
PRD_002379 1 10 C  THR 8  N  LEU 9  sing 1 ? ? ? 
PRD_002379 1 11 C  LEU 9  N  LYS 10 sing 1 ? ? ? 
PRD_002379 1 12 C  LYS 10 N  DHA 11 sing 1 ? ? ? 
PRD_002379 1 13 C  DHA 11 N  DHA 12 sing 1 ? ? ? 
PRD_002379 1 14 C  DHA 12 N  GLY 13 sing 1 ? ? ? 
PRD_002379 1 15 C  GLY 13 N  DHA 14 sing 1 ? ? ? 
PRD_002379 1 16 C  DHA 14 N  BB9 15 sing 1 ? ? ? 
PRD_002379 1 17 C  DHA 14 SG BB9 15 sing 1 ? ? ? 
PRD_002379 1 18 C  BB9 15 N  DHA 16 sing 1 ? ? ? 
PRD_002379 1 19 C  DHA 16 N  BB9 17 sing 1 ? ? ? 
PRD_002379 1 20 C  DHA 16 SG BB9 17 sing 1 ? ? ? 
PRD_002379 1 21 C  BB9 17 O  MOH 18 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002379 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002379 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002379 1 1  DHA SER N Y 
PRD_002379 1 2  TRP TRP N Y 
PRD_002379 1 3  GLY GLY N Y 
PRD_002379 1 4  PHE PHE N Y 
PRD_002379 1 5  ILE ILE N Y 
PRD_002379 1 6  TYR TYR N Y 
PRD_002379 1 7  LYS LYS N Y 
PRD_002379 1 8  THR THR N Y 
PRD_002379 1 9  LEU LEU N Y 
PRD_002379 1 10 LYS LYS N Y 
PRD_002379 1 11 DHA SER N Y 
PRD_002379 1 12 DHA SER N Y 
PRD_002379 1 13 GLY GLY N Y 
PRD_002379 1 14 DHA SER N Y 
PRD_002379 1 15 BB9 CYS N Y 
PRD_002379 1 16 DHA SER N Y 
PRD_002379 1 17 BB9 CYS N Y 
PRD_002379 1 18 MOH .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002379 2022-06-21 PDBJ "Create molecule" 
PRD_002379 2022-10-26 RCSB "Initial release" 
# 
data_PRD_002381
# 
_pdbx_reference_molecule.prd_id                       PRD_002381 
_pdbx_reference_molecule.name                         "thiopeptide TP15" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C77 H115 N26 O17 S3" 
_pdbx_reference_molecule.formula_weight               1773.096 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7XZR 
# 
_pdbx_reference_entity_list.prd_id          PRD_002381 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002381 1 1  C  DHA 1  N  TRP 2  sing 1 ? ? ? 
PRD_002381 1 2  CA DHA 1  C  BB9 15 sing 1 ? ? ? 
PRD_002381 1 3  CB DHA 1  CB DHA 16 sing 1 ? ? ? 
PRD_002381 1 4  C  TRP 2  N  THR 3  sing 1 ? ? ? 
PRD_002381 1 5  C  THR 3  N  ILE 4  sing 1 ? ? ? 
PRD_002381 1 6  C  ILE 4  N  ARG 5  sing 1 ? ? ? 
PRD_002381 1 7  C  ARG 5  N  THR 6  sing 1 ? ? ? 
PRD_002381 1 8  C  THR 6  N  ARG 7  sing 1 ? ? ? 
PRD_002381 1 9  C  ARG 7  N  GLY 8  sing 1 ? ? ? 
PRD_002381 1 10 C  GLY 8  N  ARG 9  sing 1 ? ? ? 
PRD_002381 1 11 C  ARG 9  N  ILE 10 sing 1 ? ? ? 
PRD_002381 1 12 C  ILE 10 N  ALA 11 sing 1 ? ? ? 
PRD_002381 1 13 C  ALA 11 N  THR 12 sing 1 ? ? ? 
PRD_002381 1 14 C  THR 12 SG BB9 13 sing 1 ? ? ? 
PRD_002381 1 15 C  THR 12 N  BB9 13 sing 1 ? ? ? 
PRD_002381 1 16 C  BB9 13 N  DHA 14 sing 1 ? ? ? 
PRD_002381 1 17 C  DHA 14 N  BB9 15 sing 1 ? ? ? 
PRD_002381 1 18 C  DHA 14 SG BB9 15 sing 1 ? ? ? 
PRD_002381 1 19 C  BB9 15 N  DHA 16 sing 1 ? ? ? 
PRD_002381 1 20 C  DHA 16 N  BB9 17 sing 1 ? ? ? 
PRD_002381 1 21 C  DHA 16 SG BB9 17 sing 1 ? ? ? 
PRD_002381 1 22 C  BB9 17 O  MOH 18 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002381 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002381 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002381 1 1  DHA SER N Y 
PRD_002381 1 2  TRP TRP N Y 
PRD_002381 1 3  THR THR N Y 
PRD_002381 1 4  ILE ILE N Y 
PRD_002381 1 5  ARG ARG N Y 
PRD_002381 1 6  THR THR N Y 
PRD_002381 1 7  ARG ARG N Y 
PRD_002381 1 8  GLY GLY N Y 
PRD_002381 1 9  ARG ARG N Y 
PRD_002381 1 10 ILE ILE N Y 
PRD_002381 1 11 ALA ALA N Y 
PRD_002381 1 12 THR THR N Y 
PRD_002381 1 13 BB9 CYS N Y 
PRD_002381 1 14 DHA SER N Y 
PRD_002381 1 15 BB9 CYS N Y 
PRD_002381 1 16 DHA SER N Y 
PRD_002381 1 17 BB9 CYS N Y 
PRD_002381 1 18 MOH .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002381 2022-07-15 PDBJ "Create molecule" 
PRD_002381 2022-10-26 RCSB "Initial release" 
# 
data_PRD_002382
# 
_pdbx_reference_molecule.prd_id                       PRD_002382 
_pdbx_reference_molecule.name                         "Boceprevir (bound form)" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H47 N5 O5" 
_pdbx_reference_molecule.formula_weight               521.693 
_pdbx_reference_molecule.chem_comp_id                 U5G 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6WNP 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002382 
_pdbx_reference_entity_subcomponents.seq            "TBB TBG 12L 12N NH2" 
_pdbx_reference_entity_subcomponents.chem_comp_id   U5G 
# 
_pdbx_reference_entity_list.prd_id          PRD_002382 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002382 1 1 C24 TBB 1 N   TBG 2 SING 1 ? ? ? 
PRD_002382 1 2 C   TBG 2 N19 12L 3 SING 1 ? ? ? 
PRD_002382 1 3 C27 12L 3 N29 12N 4 SING 1 ? ? ? 
PRD_002382 1 4 C40 12N 4 N   NH2 5 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002382 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002382 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002382 1 1 TBB .   N Y 
PRD_002382 1 2 TBG VAL N Y 
PRD_002382 1 3 12L PRO N Y 
PRD_002382 1 4 12N .   N Y 
PRD_002382 1 5 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002382 2020-04-29 .    "Create molecule"      
PRD_002382 2020-05-06 RCSB "Initial release"      
PRD_002382 2020-05-06 RCSB "Modify molecule name" 
# 
data_PRD_002383
# 
_pdbx_reference_molecule.prd_id                       PRD_002383 
_pdbx_reference_molecule.name                         des4.3.1 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C44 H74 N12 O11 S" 
_pdbx_reference_molecule.formula_weight               979.197 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6WSJ 
# 
_pdbx_reference_entity_list.prd_id          PRD_002383 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002383 1 1 N DAL 1 C LYS 8 sing 1 ? ? ? 
PRD_002383 1 2 C DAL 1 N DSN 2 sing 1 ? ? ? 
PRD_002383 1 3 C DSN 2 N ASP 3 sing 1 ? ? ? 
PRD_002383 1 4 C ASP 3 N DAR 4 sing 1 ? ? ? 
PRD_002383 1 5 C DAR 4 N U2M 5 sing 1 ? ? ? 
PRD_002383 1 6 C U2M 5 N PHE 6 sing 1 ? ? ? 
PRD_002383 1 7 C PHE 6 N DNE 7 sing 1 ? ? ? 
PRD_002383 1 8 C DNE 7 N LYS 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002383 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002383 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002383 1 1 DAL .   N Y 
PRD_002383 1 2 DSN .   N Y 
PRD_002383 1 3 ASP ASP N Y 
PRD_002383 1 4 DAR .   N Y 
PRD_002383 1 5 U2M .   N Y 
PRD_002383 1 6 PHE PHE N Y 
PRD_002383 1 7 DNE .   N Y 
PRD_002383 1 8 LYS LYS N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_002383 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 32630 
_pdbx_reference_entity_src_nat.organism_scientific   "synthetic construct" 
_pdbx_reference_entity_src_nat.source                . 
_pdbx_reference_entity_src_nat.db_code               . 
_pdbx_reference_entity_src_nat.db_name               . 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002383 2020-05-04 .    "Create molecule" 
PRD_002383 2021-04-28 RCSB "Initial release" 
# 
data_PRD_002384
# 
_pdbx_reference_molecule.prd_id                       PRD_002384 
_pdbx_reference_molecule.name                         Teixobactin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        ? 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C58 H95 N15 O15" 
_pdbx_reference_molecule.formula_weight               1242.466 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7QGV 
# 
_pdbx_reference_entity_list.prd_id          PRD_002384 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002384 1 1  C   ZAE 1  N ILE 2  sing 1 ? ? ? 
PRD_002384 1 2  C   ILE 2  N SER 3  sing 1 ? ? ? 
PRD_002384 1 3  C   SER 3  N DGN 4  sing 1 ? ? ? 
PRD_002384 1 4  C   DGN 4  N 28J 5  sing 1 ? ? ? 
PRD_002384 1 5  C   28J 5  N ILE 6  sing 1 ? ? ? 
PRD_002384 1 6  C   ILE 6  N SER 7  sing 1 ? ? ? 
PRD_002384 1 7  C   SER 7  N DTH 8  sing 1 ? ? ? 
PRD_002384 1 8  C   DTH 8  N ALA 9  sing 1 ? ? ? 
PRD_002384 1 9  OG1 DTH 8  C ILE 11 sing 1 ? ? ? 
PRD_002384 1 10 C   ALA 9  N EI4 10 sing 1 ? ? ? 
PRD_002384 1 11 C   EI4 10 N ILE 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002384 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002384 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002384 1 1  ZAE .   N Y 
PRD_002384 1 2  ILE ILE N Y 
PRD_002384 1 3  SER SER N Y 
PRD_002384 1 4  DGN .   N Y 
PRD_002384 1 5  28J .   N Y 
PRD_002384 1 6  ILE ILE N Y 
PRD_002384 1 7  SER SER N Y 
PRD_002384 1 8  DTH .   N Y 
PRD_002384 1 9  ALA ALA N Y 
PRD_002384 1 10 EI4 ARG N Y 
PRD_002384 1 11 ILE ILE N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_002384 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 ? 
_pdbx_reference_entity_src_nat.organism_scientific   ? 
_pdbx_reference_entity_src_nat.source                . 
_pdbx_reference_entity_src_nat.db_code               . 
_pdbx_reference_entity_src_nat.db_name               . 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002384 2022-01-05 PDBE "Create molecule" 
PRD_002384 2022-08-03 RCSB "Initial release" 
# 
data_PRD_002385
# 
_pdbx_reference_molecule.prd_id                       PRD_002385 
_pdbx_reference_molecule.name                         "Papain-like protease peptide inhibitor VIR250" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H32 N6 O6 S" 
_pdbx_reference_molecule.formula_weight               520.602 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Peptide covalently linked to active site Cys" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6WUU 
# 
_pdbx_reference_entity_list.prd_id          PRD_002385 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002385 1 1 C ACE 1 N UB4 2 sing 1 ? ? ? 
PRD_002385 1 2 C UB4 2 N DPP 3 sing 1 ? ? ? 
PRD_002385 1 3 C DPP 3 N GLY 4 sing 1 ? ? ? 
PRD_002385 1 4 C GLY 4 N GVE 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002385 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002385 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002385 1 1 ACE .   N Y 
PRD_002385 1 2 UB4 .   N Y 
PRD_002385 1 3 DPP ALA N Y 
PRD_002385 1 4 GLY GLY N Y 
PRD_002385 1 5 GVE .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002385 2020-05-06 .    "Create molecule" 
PRD_002385 2020-05-20 RCSB "Initial release" 
# 
data_PRD_002386
# 
_pdbx_reference_molecule.prd_id                       PRD_002386 
_pdbx_reference_molecule.name                         "Sulfonated calpeptin" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H32 N2 O7 S" 
_pdbx_reference_molecule.formula_weight               444.542 
_pdbx_reference_molecule.chem_comp_id                 EIZ 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7QGW 
# 
_pdbx_reference_entity_list.prd_id          PRD_002386 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002386 1 1 C19 P6S 1 N LEU 2 sing 1 ? ? ? 
PRD_002386 1 2 C   LEU 2 N ERL 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002386 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002386 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002386 1 1 P6S .   N Y 
PRD_002386 1 2 LEU LEU N Y 
PRD_002386 1 3 ERL .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002386 2022-01-12 PDBE "Create molecule" 
PRD_002386 2022-08-31 RCSB "Initial release" 
# 
data_PRD_002387
# 
_pdbx_reference_molecule.prd_id                       PRD_002387 
_pdbx_reference_molecule.name                         Calpetin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H30 N2 O4" 
_pdbx_reference_molecule.formula_weight               362.463 
_pdbx_reference_molecule.chem_comp_id                 EJG 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7AKU 
# 
_pdbx_reference_entity_list.prd_id          PRD_002387 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002387 1 1 C19 P6S 1 N LEU 2 sing 1 ? ? ? 
PRD_002387 1 2 C   LEU 2 N EJM 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002387 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002387 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002387 1 1 P6S .   N Y 
PRD_002387 1 2 LEU LEU N Y 
PRD_002387 1 3 EJM .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002387 2022-01-12 PDBE "Create molecule" 
PRD_002387 2023-09-27 RCSB "Initial release" 
# 
data_PRD_002390
# 
_pdbx_reference_molecule.prd_id                       PRD_002390 
_pdbx_reference_molecule.name                         "Papain-like protease peptide inhibitor VIR251" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H33 N5 O7" 
_pdbx_reference_molecule.formula_weight               479.527 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Peptide covalently linked to active site Cys" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6WX4 
# 
_pdbx_reference_entity_list.prd_id          PRD_002390 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002390 1 1 C ACY 1 N 73O 2 sing 1 ? ? ? 
PRD_002390 1 2 C 73O 2 N DPP 3 sing 1 ? ? ? 
PRD_002390 1 3 C DPP 3 N GLY 4 sing 1 ? ? ? 
PRD_002390 1 4 C GLY 4 N GVE 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002390 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002390 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002390 1 1 ACY .   N Y 
PRD_002390 1 2 73O TYR N Y 
PRD_002390 1 3 DPP ALA N Y 
PRD_002390 1 4 GLY GLY N Y 
PRD_002390 1 5 GVE .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002390 2020-05-11 .    "Create molecule"    
PRD_002390 2020-05-20 RCSB "Initial release"    
PRD_002390 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002391
# 
_pdbx_reference_molecule.prd_id                       PRD_002391 
_pdbx_reference_molecule.name                         "covalently bound calpain inhibitor II" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C19 H37 N3 O4 S" 
_pdbx_reference_molecule.formula_weight               403.580 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6XA4 
# 
_pdbx_reference_entity_list.prd_id          PRD_002391 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002391 1 1 C ACE 1 N LEU 2 sing 1 ? ? ? 
PRD_002391 1 2 C LEU 2 N LEU 3 sing 1 ? ? ? 
PRD_002391 1 3 C LEU 3 N UXS 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002391 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002391 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002391 1 1 ACE .   N Y 
PRD_002391 1 2 LEU LEU N Y 
PRD_002391 1 3 LEU LEU N Y 
PRD_002391 1 4 UXS .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002391 2020-06-04 .    "Create molecule"    
PRD_002391 2020-06-17 RCSB "Initial release"    
PRD_002391 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002392
# 
_pdbx_reference_molecule.prd_id                       PRD_002392 
_pdbx_reference_molecule.name                         UAW246 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H36 N4 O6" 
_pdbx_reference_molecule.formula_weight               488.577 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6XBG 
# 
_pdbx_reference_entity_list.prd_id          PRD_002392 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002392 1 1 C19 P6S 1 N   LEU 2 sing 1 ? ? ? 
PRD_002392 1 2 C   LEU 2 N   UZ4 3 sing 1 ? ? ? 
PRD_002392 1 3 C   UZ4 3 N33 UZ1 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002392 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002392 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002392 1 1 P6S .   N Y 
PRD_002392 1 2 LEU LEU N Y 
PRD_002392 1 3 UZ4 .   N Y 
PRD_002392 1 4 UZ1 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002392 2020-06-08 .    "Create molecule"    
PRD_002392 2020-06-17 RCSB "Initial release"    
PRD_002392 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002393
# 
_pdbx_reference_molecule.prd_id                       PRD_002393 
_pdbx_reference_molecule.name                         UAW247 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H27 N3 O5" 
_pdbx_reference_molecule.formula_weight               437.488 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6XBH 
# 
_pdbx_reference_entity_list.prd_id          PRD_002393 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002393 1 1 C19 P6S 1 N PHE 2 sing 1 ? ? ? 
PRD_002393 1 2 C   PHE 2 N ELL 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002393 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002393 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002393 1 1 P6S .   N Y 
PRD_002393 1 2 PHE PHE N Y 
PRD_002393 1 3 ELL .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002393 2020-06-08 .    "Create molecule" 
PRD_002393 2020-06-17 RCSB "Initial release" 
# 
data_PRD_002394
# 
_pdbx_reference_molecule.prd_id                       PRD_002394 
_pdbx_reference_molecule.name                         UAW248 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H45 N5 O7" 
_pdbx_reference_molecule.formula_weight               587.708 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6XBI 
# 
_pdbx_reference_entity_list.prd_id          PRD_002394 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002394 1 1 C07 UZ7 1 N   LEU 2 sing 1 ? ? ? 
PRD_002394 1 2 C   LEU 2 N   LEU 3 sing 1 ? ? ? 
PRD_002394 1 3 C   LEU 3 N   UZ4 4 sing 1 ? ? ? 
PRD_002394 1 4 C   UZ4 4 N33 UZ1 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002394 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002394 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002394 1 1 UZ7 .   N Y 
PRD_002394 1 2 LEU LEU N Y 
PRD_002394 1 3 LEU LEU N Y 
PRD_002394 1 4 UZ4 .   N Y 
PRD_002394 1 5 UZ1 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002394 2020-06-08 .    "Create molecule"    
PRD_002394 2020-06-17 RCSB "Initial release"    
PRD_002394 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002396
# 
_pdbx_reference_molecule.prd_id                       PRD_002396 
_pdbx_reference_molecule.name                         Dynobactin 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H11 N3" 
_pdbx_reference_molecule.formula_weight               197.236 
_pdbx_reference_molecule.chem_comp_id                 DRG 
_pdbx_reference_molecule.release_status               OBS 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7R1V 
# 
_pdbx_reference_entity_list.prd_id          PRD_002396 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            non-polymer 
_pdbx_reference_entity_list.details         DRG 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002396 
_pdbx_reference_entity_nonpoly.ref_entity_id   1 
_pdbx_reference_entity_nonpoly.name            "5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE" 
_pdbx_reference_entity_nonpoly.chem_comp_id    DRG 
_pdbx_reference_entity_nonpoly.details         ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002396 2022-02-15 PDBE "Create molecule"   
PRD_002396 2023-05-10 RCSB "Initial release"   
PRD_002396 2024-05-29 RCSB "Obsolete molecule" 
# 
data_PRD_002397
# 
_pdbx_reference_molecule.prd_id                       PRD_002397 
_pdbx_reference_molecule.name                         "macrocycle inhibitor NDM1i-1F" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C41 H72 N14 O10 S" 
_pdbx_reference_molecule.formula_weight               953.163 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6XBE 
# 
_pdbx_reference_entity_list.prd_id          PRD_002397 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002397 1 1 N DAR 1 C GLU 8 sing 1 ? ? ? 
PRD_002397 1 2 C DAR 1 N DAR 2 sing 1 ? ? ? 
PRD_002397 1 3 C DAR 2 N LEU 3 sing 1 ? ? ? 
PRD_002397 1 4 C LEU 3 N DCY 4 sing 1 ? ? ? 
PRD_002397 1 5 C DCY 4 N PRO 5 sing 1 ? ? ? 
PRD_002397 1 6 C PRO 5 N VAL 6 sing 1 ? ? ? 
PRD_002397 1 7 C VAL 6 N PRO 7 sing 1 ? ? ? 
PRD_002397 1 8 C PRO 7 N GLU 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002397 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002397 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002397 1 1 DAR .   N Y 
PRD_002397 1 2 DAR .   N Y 
PRD_002397 1 3 LEU LEU N Y 
PRD_002397 1 4 DCY .   N Y 
PRD_002397 1 5 PRO PRO N Y 
PRD_002397 1 6 VAL VAL N Y 
PRD_002397 1 7 PRO PRO N Y 
PRD_002397 1 8 GLU GLU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002397 2020-06-08 RCSB "Create molecule"      
PRD_002397 2021-03-31 RCSB "Initial release"      
PRD_002397 2025-02-04 RCSB "Modify molecule name" 
# 
data_PRD_002398
# 
_pdbx_reference_molecule.prd_id                       PRD_002398 
_pdbx_reference_molecule.name                         "macrocycle inhibitor NDM1i-1G" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C42 H74 N14 O10 S" 
_pdbx_reference_molecule.formula_weight               967.190 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6XBF 
# 
_pdbx_reference_entity_list.prd_id          PRD_002398 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002398 1 1 N DAR 1 C GLU 8 sing 1 ? ? ? 
PRD_002398 1 2 C DAR 1 N DAR 2 sing 1 ? ? ? 
PRD_002398 1 3 C DAR 2 N LEU 3 sing 1 ? ? ? 
PRD_002398 1 4 C LEU 3 N DCY 4 sing 1 ? ? ? 
PRD_002398 1 5 C DCY 4 N PRO 5 sing 1 ? ? ? 
PRD_002398 1 6 C PRO 5 N ILE 6 sing 1 ? ? ? 
PRD_002398 1 7 C ILE 6 N PRO 7 sing 1 ? ? ? 
PRD_002398 1 8 C PRO 7 N GLU 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002398 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002398 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002398 1 1 DAR .   N Y 
PRD_002398 1 2 DAR .   N Y 
PRD_002398 1 3 LEU LEU N Y 
PRD_002398 1 4 DCY .   N Y 
PRD_002398 1 5 PRO PRO N Y 
PRD_002398 1 6 ILE ILE N Y 
PRD_002398 1 7 PRO PRO N Y 
PRD_002398 1 8 GLU GLU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002398 2020-06-08 RCSB "Create molecule"      
PRD_002398 2021-03-31 RCSB "Initial release"      
PRD_002398 2025-02-04 RCSB "Modify molecule name" 
# 
data_PRD_002399
# 
_pdbx_reference_molecule.prd_id                       PRD_002399 
_pdbx_reference_molecule.name                         "Macrocycle NDM1i-3D" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C45 H68 N10 O11 S" 
_pdbx_reference_molecule.formula_weight               957.147 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6XCI 
# 
_pdbx_reference_entity_list.prd_id          PRD_002399 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002399 1 1 N DCY 1 C NLE 8 sing 1 ? ? ? 
PRD_002399 1 2 C DCY 1 N PRO 2 sing 1 ? ? ? 
PRD_002399 1 3 C PRO 2 N LWI 3 sing 1 ? ? ? 
PRD_002399 1 4 C LWI 3 N HYP 4 sing 1 ? ? ? 
PRD_002399 1 5 C HYP 4 N GLU 5 sing 1 ? ? ? 
PRD_002399 1 6 C GLU 5 N DPR 6 sing 1 ? ? ? 
PRD_002399 1 7 C DPR 6 N DLY 7 sing 1 ? ? ? 
PRD_002399 1 8 C DLY 7 N NLE 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002399 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002399 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002399 1 1 DCY .   N Y 
PRD_002399 1 2 PRO PRO N Y 
PRD_002399 1 3 LWI PHE N Y 
PRD_002399 1 4 HYP PRO N Y 
PRD_002399 1 5 GLU GLU N Y 
PRD_002399 1 6 DPR .   N Y 
PRD_002399 1 7 DLY .   N Y 
PRD_002399 1 8 NLE LEU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002399 2020-06-09 RCSB "Create molecule"      
PRD_002399 2021-03-31 RCSB "Initial release"      
PRD_002399 2025-02-04 RCSB "Modify molecule name" 
# 
data_PRD_002404
# 
_pdbx_reference_molecule.prd_id                       PRD_002404 
_pdbx_reference_molecule.name                         "Dynobactin A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           "Dynobactin A structure elucidation by Cryo-EM microED" 
_pdbx_reference_molecule.class                        "Antibiotic, Antimicrobial" 
_pdbx_reference_molecule.class_evidence_code          "MICs for 8-64 micrograms per mL against Gram-negative bacteria (e.g. Escherichia coli, Pseudomonas aeruginosa, Klebsiella pneumoniae) " 
_pdbx_reference_molecule.formula                      "C60 H78 N18 O16" 
_pdbx_reference_molecule.formula_weight               1307.372 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Dynobactin A is a decapeptide (1-WNSNVHSYRF-10) with 2 closed rings. One carbon-carbon bond formed between the C6 of Trp (W1) and the beta-carbon of Asn (N4). Second an unusual nitrogen-carbon linkage formed between the imidazole N-Epsilon-2 of His (H6) and the beta-carbon of Tyr (Y8)." 
_pdbx_reference_molecule.description                  "10mer peptide with distinct cyclophane rings." 
_pdbx_reference_molecule.representative_PDB_id_code   7R1V 
# 
_pdbx_reference_entity_list.prd_id          PRD_002404 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002404 1 1  C   TRP 1 N  ASN 2  sing 1 . . . 
PRD_002404 1 2  CH2 TRP 1 CB ASN 4  sing 1 . . . 
PRD_002404 1 3  C   ASN 2 N  SER 3  sing 1 . . . 
PRD_002404 1 4  C   SER 3 N  ASN 4  sing 1 . . . 
PRD_002404 1 5  C   ASN 4 N  VAL 5  sing 1 . . . 
PRD_002404 1 6  C   VAL 5 N  HIS 6  sing 1 . . . 
PRD_002404 1 7  C   HIS 6 N  SER 7  sing 1 . . . 
PRD_002404 1 8  NE2 HIS 6 CB TYR 8  sing 1 . . . 
PRD_002404 1 9  C   SER 7 N  TYR 8  sing 1 . . . 
PRD_002404 1 10 C   TYR 8 N  ARG 9  sing 1 . . . 
PRD_002404 1 11 C   ARG 9 N  PHE 10 sing 1 . . . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002404 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         A0A1C0U7H2 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002404 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002404 1 1  TRP TRP N Y 
PRD_002404 1 2  ASN ASN N Y 
PRD_002404 1 3  SER SER N Y 
PRD_002404 1 4  ASN ASN N Y 
PRD_002404 1 5  VAL VAL N Y 
PRD_002404 1 6  HIS HIS N Y 
PRD_002404 1 7  SER SER N Y 
PRD_002404 1 8  TYR TYR N Y 
PRD_002404 1 9  ARG ARG N Y 
PRD_002404 1 10 PHE PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002404 2022-03-02 PDBE "Create molecule"    
PRD_002404 2022-09-28 RCSB "Initial release"    
PRD_002404 2024-03-26 PDBE "Other modification" 
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Photorhabdus australis" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002404 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 286156 
# 
data_PRD_002409
# 
_pdbx_reference_molecule.prd_id                       PRD_002409 
_pdbx_reference_molecule.name                         UDP-MurNAc-pentapeptide 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C37 H58 N8 O26 P2 S" 
_pdbx_reference_molecule.formula_weight               1124.907 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "Peptidoglycan precursor analogue" 
_pdbx_reference_molecule.representative_PDB_id_code   7Z5Z 
# 
_pdbx_reference_entity_list.prd_id          PRD_002409 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002409 1 1 PB  UDP 1 O1 MUB 2 sing 1 ? ? ? 
PRD_002409 1 2 C10 MUB 2 N  ALA 3 sing 1 ? ? ? 
PRD_002409 1 3 C   ALA 3 N  FGA 4 sing 1 ? ? ? 
PRD_002409 1 4 CD  FGA 4 N  CYS 5 sing 1 ? ? ? 
PRD_002409 1 5 C   CYS 5 N  DAL 6 sing 1 ? ? ? 
PRD_002409 1 6 C   DAL 6 N  DAL 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002409 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002409 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002409 1 1 UDP .   N Y 
PRD_002409 1 2 MUB .   N Y 
PRD_002409 1 3 ALA ALA N Y 
PRD_002409 1 4 FGA .   N Y 
PRD_002409 1 5 CYS CYS N Y 
PRD_002409 1 6 DAL .   N Y 
PRD_002409 1 7 DAL .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002409 2022-03-23 PDBE "Create molecule" 
PRD_002409 2022-10-26 RCSB "Initial release" 
# 
data_PRD_002411
# 
_pdbx_reference_molecule.prd_id                       PRD_002411 
_pdbx_reference_molecule.name                         "peptide BOC-GLY-PHE-HIS-H" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H30 N5 O5" 
_pdbx_reference_molecule.formula_weight               444.504 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7ZV7 
# 
_pdbx_reference_entity_list.prd_id          PRD_002411 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002411 1 1 C BOC 1 N GLY 2 sing 1 ? ? ? 
PRD_002411 1 2 C GLY 2 N PHE 3 sing 1 ? ? ? 
PRD_002411 1 3 C PHE 3 N HSV 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002411 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002411 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002411 1 1 BOC .   N Y 
PRD_002411 1 2 GLY GLY N Y 
PRD_002411 1 3 PHE PHE N Y 
PRD_002411 1 4 HSV HIS N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002411 2022-06-15 PDBE "Create molecule" 
PRD_002411 2022-12-07 RCSB "Initial release" 
# 
data_PRD_002412
# 
_pdbx_reference_molecule.prd_id                       PRD_002412 
_pdbx_reference_molecule.name                         "peptide OCA-GLY-PHE-HIS-H" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H36 N5 O4" 
_pdbx_reference_molecule.formula_weight               470.584 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7ZV8 
# 
_pdbx_reference_entity_list.prd_id          PRD_002412 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002412 1 1 C1 OCA 1 N GLY 2 sing 1 ? ? ? 
PRD_002412 1 2 C  GLY 2 N PHE 3 sing 1 ? ? ? 
PRD_002412 1 3 C  PHE 3 N HSV 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002412 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002412 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002412 1 1 OCA .   N Y 
PRD_002412 1 2 GLY GLY N Y 
PRD_002412 1 3 PHE PHE N Y 
PRD_002412 1 4 HSV HIS N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002412 2022-06-15 PDBE "Create molecule" 
PRD_002412 2022-12-07 RCSB "Initial release" 
# 
data_PRD_002413
# 
_pdbx_reference_molecule.prd_id                       PRD_002413 
_pdbx_reference_molecule.name                         "peptide ACE-GLY-PHE-HIS-H" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        ? 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C19 H24 N5 O4" 
_pdbx_reference_molecule.formula_weight               386.425 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7ZV5 
# 
_pdbx_reference_entity_list.prd_id          PRD_002413 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002413 1 1 C ACE 1 N GLY 2 sing 1 ? ? ? 
PRD_002413 1 2 C GLY 2 N PHE 3 sing 1 ? ? ? 
PRD_002413 1 3 C PHE 3 N HSV 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002413 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002413 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002413 1 1 ACE .   N Y 
PRD_002413 1 2 GLY GLY N Y 
PRD_002413 1 3 PHE PHE N Y 
PRD_002413 1 4 HSV HIS N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002413 2022-06-15 PDBE "Create molecule" 
PRD_002413 2022-11-30 RCSB "Initial release" 
# 
data_PRD_002415
# 
_pdbx_reference_molecule.prd_id                       PRD_002415 
_pdbx_reference_molecule.name                         "3'-sialyl-beta-lactose" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H39 N O19" 
_pdbx_reference_molecule.formula_weight               633.551 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   7ZIL 
# 
_pdbx_reference_entity_list.prd_id          PRD_002415 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002415 1 1 O4 BGC 1 C1 GAL 2 sing 1 ? ? ? 
PRD_002415 1 2 O3 GAL 2 C2 SIA 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002415 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002415 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002415 1 1 BGC . N Y 
PRD_002415 1 2 GAL . N Y 
PRD_002415 1 3 SIA . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002415 2022-06-22 PDBE "Create molecule" 
PRD_002415 2022-12-21 RCSB "Initial release" 
# 
data_PRD_002417
# 
_pdbx_reference_molecule.prd_id                       PRD_002417 
_pdbx_reference_molecule.name                         "Ac-VRHA-conh-[4-(4-butyl)-phenoxy-1-phenyl-2-butyl]" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C43 H66 N10 O7" 
_pdbx_reference_molecule.formula_weight               835.047 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8AB5 
# 
_pdbx_reference_entity_list.prd_id          PRD_002417 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002417 1 1 C ACE 1 N  VAL 2 sing 1 ? ? ? 
PRD_002417 1 2 C VAL 2 N  ARG 3 sing 1 ? ? ? 
PRD_002417 1 3 C ARG 3 N  HIS 4 sing 1 ? ? ? 
PRD_002417 1 4 C HIS 4 N2 LPV 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002417 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002417 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002417 1 1 ACE .   N Y 
PRD_002417 1 2 VAL VAL N Y 
PRD_002417 1 3 ARG ARG N Y 
PRD_002417 1 4 HIS HIS N Y 
PRD_002417 1 5 LPV .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002417 2022-07-07 PDBE "Create molecule" 
PRD_002417 2023-10-25 RCSB "Initial release" 
# 
data_PRD_002419
# 
_pdbx_reference_molecule.prd_id                       PRD_002419 
_pdbx_reference_molecule.name                         "Cyclomarin A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Antibiotic, Antimicrobial" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C56 H82 N8 O11" 
_pdbx_reference_molecule.formula_weight               1043.297 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8AD9 
# 
_pdbx_reference_entity_list.prd_id          PRD_002419 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002419 1 1 C LTU 1 N WLU 2 sing 1 ? ? ? 
PRD_002419 1 2 N LTU 1 C WVL 7 sing 1 ? ? ? 
PRD_002419 1 3 C WLU 2 N ALA 3 sing 1 ? ? ? 
PRD_002419 1 4 C ALA 3 N WPA 4 sing 1 ? ? ? 
PRD_002419 1 5 C WPA 4 N VAL 5 sing 1 ? ? ? 
PRD_002419 1 6 C VAL 5 N MLE 6 sing 1 ? ? ? 
PRD_002419 1 7 C MLE 6 N WVL 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002419 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002419 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002419 1 1 LTU TRP N Y 
PRD_002419 1 2 WLU LEU N Y 
PRD_002419 1 3 ALA ALA N Y 
PRD_002419 1 4 WPA PHE N Y 
PRD_002419 1 5 VAL VAL N Y 
PRD_002419 1 6 MLE LEU N Y 
PRD_002419 1 7 WVL VAL N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002419 2022-07-22 PDBE "Create molecule"    
PRD_002419 2022-08-08 PDBE "Other modification" 
PRD_002419 2023-03-29 RCSB "Initial release"    
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces sp." 
_pdbx_reference_entity_src_nat.prd_id                PRD_002419 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 1931 
# 
data_PRD_002420
# 
_pdbx_reference_molecule.prd_id                       PRD_002420 
_pdbx_reference_molecule.name                         G2S2-oxazoline 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        ? 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C76 H124 N5 O56" 
_pdbx_reference_molecule.formula_weight               2003.798 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8X8G 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002420 1 1 branched    .   
PRD_002420 2 2 non-polymer NGO 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002420 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE" 
_pdbx_reference_entity_nonpoly.chem_comp_id    NGO 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_link.prd_id              PRD_002420 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    1 
_pdbx_reference_entity_link.comp_id_1           BMA 
_pdbx_reference_entity_link.atom_id_1           C1 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    . 
_pdbx_reference_entity_link.comp_id_2           NGO 
_pdbx_reference_entity_link.atom_id_2           O4 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             . 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002420 1 1 O3 BMA 1 C1 MAN 2 sing 1 ? ? ? 
PRD_002420 1 2 O6 BMA 1 C1 MAN 6 sing 1 ? ? ? 
PRD_002420 1 3 O2 MAN 2 C1 NAG 3 sing 1 ? ? ? 
PRD_002420 1 4 O4 NAG 3 C1 GAL 4 sing 1 ? ? ? 
PRD_002420 1 5 O6 GAL 4 C2 SIA 5 sing 1 ? ? ? 
PRD_002420 1 6 O2 MAN 6 C1 NAG 7 sing 1 ? ? ? 
PRD_002420 1 7 O4 NAG 7 C1 GAL 8 sing 1 ? ? ? 
PRD_002420 1 8 O6 GAL 8 C2 SIA 9 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002420 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002420 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002420 1 1 BMA . N Y 
PRD_002420 1 2 MAN . N Y 
PRD_002420 1 3 NAG . N Y 
PRD_002420 1 4 GAL . N Y 
PRD_002420 1 5 SIA . N Y 
PRD_002420 1 6 MAN . N Y 
PRD_002420 1 7 NAG . N Y 
PRD_002420 1 8 GAL . N Y 
PRD_002420 1 9 SIA . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002420 2023-12-14 .    "Create molecule" 
PRD_002420 2024-07-03 RCSB "Initial release" 
# 
data_PRD_002423
# 
_pdbx_reference_molecule.prd_id                       PRD_002423 
_pdbx_reference_molecule.name                         "Phytochelatin 2" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        ? 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H29 N5 O10 S2" 
_pdbx_reference_molecule.formula_weight               539.580 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8YR4 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002423 1 1 polymer     .   
PRD_002423 2 2 polymer     .   
PRD_002423 3 3 non-polymer DGL 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002423 
_pdbx_reference_entity_nonpoly.ref_entity_id   3 
_pdbx_reference_entity_nonpoly.name            "D-GLUTAMIC ACID" 
_pdbx_reference_entity_nonpoly.chem_comp_id    DGL 
_pdbx_reference_entity_nonpoly.details         . 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_002423 1 PN 1 1 CYS N  3 . DGL CD sing 1 3 . . . 
PRD_002423 2 PP 1 2 GLU CD 2 1 CYS N  sing 1 2 . . . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002423 1 1 C CYS 1 N GLU 2 sing 1 . . . 
PRD_002423 2 2 C CYS 1 N GLY 2 sing 2 . . . 
# 
loop_
_pdbx_reference_entity_poly.prd_id 
_pdbx_reference_entity_poly.ref_entity_id 
_pdbx_reference_entity_poly.db_code 
_pdbx_reference_entity_poly.db_name 
_pdbx_reference_entity_poly.type 
PRD_002423 1 . . peptide-like 
PRD_002423 2 . . peptide-like 
# 
loop_
_pdbx_reference_entity_sequence.prd_id 
_pdbx_reference_entity_sequence.ref_entity_id 
_pdbx_reference_entity_sequence.type 
_pdbx_reference_entity_sequence.NRP_flag 
PRD_002423 1 peptide-like N 
PRD_002423 2 peptide-like N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002423 1 1 CYS CYS N Y 
PRD_002423 1 2 GLU GLU N Y 
PRD_002423 2 1 CYS CYS N Y 
PRD_002423 2 2 GLY GLY N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002423 2024-03-22 .    "Create molecule" 
PRD_002423 2024-06-19 RCSB "Initial release" 
# 
data_PRD_002424
# 
_pdbx_reference_molecule.prd_id                       PRD_002424 
_pdbx_reference_molecule.name                         "Darobactin 22" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C53 H67 N15 O11" 
_pdbx_reference_molecule.formula_weight               1090.193 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8ADG 
# 
_pdbx_reference_entity_list.prd_id          PRD_002424 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002424 1 1 C   TRP 1 N  ASN 2 sing 1 ? ? ? 
PRD_002424 1 2 CZ2 TRP 1 O9 UX8 3 sing 1 ? ? ? 
PRD_002424 1 3 C   ASN 2 N  UX8 3 sing 1 ? ? ? 
PRD_002424 1 4 C   UX8 3 N  THR 4 sing 1 ? ? ? 
PRD_002424 1 5 CH2 UX8 3 CB LYS 5 sing 1 ? ? ? 
PRD_002424 1 6 C   THR 4 N  LYS 5 sing 1 ? ? ? 
PRD_002424 1 7 C   LYS 5 N  ARG 6 sing 1 ? ? ? 
PRD_002424 1 8 C   ARG 6 N  TRP 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002424 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002424 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002424 1 1 TRP TRP N Y 
PRD_002424 1 2 ASN ASN N Y 
PRD_002424 1 3 UX8 TRP N Y 
PRD_002424 1 4 THR THR N Y 
PRD_002424 1 5 LYS LYS N Y 
PRD_002424 1 6 ARG ARG N Y 
PRD_002424 1 7 TRP TRP N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002424 2022-08-09 PDBE "Create molecule" 
PRD_002424 2023-01-11 RCSB "Initial release" 
# 
data_PRD_002425
# 
_pdbx_reference_molecule.prd_id                       PRD_002425 
_pdbx_reference_molecule.name                         "Drosocin " 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antimicrobial 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C98 H166 N34 O24" 
_pdbx_reference_molecule.formula_weight               2204.580 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8AKN 
# 
_pdbx_reference_entity_list.prd_id          PRD_002425 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002425 1 1  C GLY 1  N LYS 2  sing 1 ? ? ? 
PRD_002425 1 2  C LYS 2  N PRO 3  sing 1 ? ? ? 
PRD_002425 1 3  C PRO 3  N ARG 4  sing 1 ? ? ? 
PRD_002425 1 4  C ARG 4  N PRO 5  sing 1 ? ? ? 
PRD_002425 1 5  C PRO 5  N TYR 6  sing 1 ? ? ? 
PRD_002425 1 6  C TYR 6  N SER 7  sing 1 ? ? ? 
PRD_002425 1 7  C SER 7  N PRO 8  sing 1 ? ? ? 
PRD_002425 1 8  C PRO 8  N ARG 9  sing 1 ? ? ? 
PRD_002425 1 9  C ARG 9  N PRO 10 sing 1 ? ? ? 
PRD_002425 1 10 C PRO 10 N THR 11 sing 1 ? ? ? 
PRD_002425 1 11 C THR 11 N SER 12 sing 1 ? ? ? 
PRD_002425 1 12 C SER 12 N HIS 13 sing 1 ? ? ? 
PRD_002425 1 13 C HIS 13 N PRO 14 sing 1 ? ? ? 
PRD_002425 1 14 C PRO 14 N ARG 15 sing 1 ? ? ? 
PRD_002425 1 15 C ARG 15 N PRO 16 sing 1 ? ? ? 
PRD_002425 1 16 C PRO 16 N ILE 17 sing 1 ? ? ? 
PRD_002425 1 17 C ILE 17 N ARG 18 sing 1 ? ? ? 
PRD_002425 1 18 C ARG 18 N VAL 19 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002425 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002425 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002425 1 1  GLY GLY N Y 
PRD_002425 1 2  LYS LYS N Y 
PRD_002425 1 3  PRO PRO N Y 
PRD_002425 1 4  ARG ARG N Y 
PRD_002425 1 5  PRO PRO N Y 
PRD_002425 1 6  TYR TYR N Y 
PRD_002425 1 7  SER SER N Y 
PRD_002425 1 8  PRO PRO N Y 
PRD_002425 1 9  ARG ARG N Y 
PRD_002425 1 10 PRO PRO N Y 
PRD_002425 1 11 THR THR N Y 
PRD_002425 1 12 SER SER N Y 
PRD_002425 1 13 HIS HIS N Y 
PRD_002425 1 14 PRO PRO N Y 
PRD_002425 1 15 ARG ARG N Y 
PRD_002425 1 16 PRO PRO N Y 
PRD_002425 1 17 ILE ILE N Y 
PRD_002425 1 18 ARG ARG N Y 
PRD_002425 1 19 VAL VAL N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002425 2022-08-18 PDBE "Create molecule" 
PRD_002425 2023-03-08 RCSB "Initial release" 
# 
data_PRD_002426
# 
_pdbx_reference_molecule.prd_id                       PRD_002426 
_pdbx_reference_molecule.name                         Corramycin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Antibiotic, Antimicrobial" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C51 H81 N11 O21" 
_pdbx_reference_molecule.formula_weight               1184.250 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "peptide antibiotic with bioactivity against Gram-negative bacteri" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8AGY 
# 
_pdbx_reference_entity_list.prd_id          PRD_002426 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002426 1 1 C OGU 1 N OGC 2  sing 1 ? ? ? 
PRD_002426 1 2 C OGC 2 N OIB 3  sing 1 ? ? ? 
PRD_002426 1 3 C OIB 3 N MEA 4  sing 1 ? ? ? 
PRD_002426 1 4 C MEA 4 N GLY 5  sing 1 ? ? ? 
PRD_002426 1 5 C GLY 5 N HVA 6  sing 1 ? ? ? 
PRD_002426 1 6 C HVA 6 N SER 7  sing 1 ? ? ? 
PRD_002426 1 7 C SER 7 N HVA 8  sing 1 ? ? ? 
PRD_002426 1 8 C HVA 8 N LEU 9  sing 1 ? ? ? 
PRD_002426 1 9 C LEU 9 N SER 10 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002426 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002426 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002426 1 1  OGU ACY N Y 
PRD_002426 1 2  OGC HIS N Y 
PRD_002426 1 3  OIB .   N Y 
PRD_002426 1 4  MEA PHE N Y 
PRD_002426 1 5  GLY GLY N Y 
PRD_002426 1 6  HVA VAL N Y 
PRD_002426 1 7  SER SER N Y 
PRD_002426 1 8  HVA VAL N Y 
PRD_002426 1 9  LEU LEU N Y 
PRD_002426 1 10 SER SER N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002426 2022-09-12 PDBE "Create molecule"    
PRD_002426 2023-05-11 PDBE "Other modification" 
PRD_002426 2023-08-16 RCSB "Initial release"    
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Corallococcus coralloides" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002426 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 184914 
# 
data_PRD_002429
# 
_pdbx_reference_molecule.prd_id                       PRD_002429 
_pdbx_reference_molecule.name                         "cihanmycin G" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Unknown 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C74 H87 N11 O22" 
_pdbx_reference_molecule.formula_weight               1482.543 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Author stated that they first isolated this compound from the Streptomyces lividans SBT18 host haboring the biosynthetic gene cluster of cihanmycin (GenBank accession no.TQJ01344-TQJ01379), with the cytochrome p450 monooxygenase gene cih33 inactivated." 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8W6Z 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002429 1 1 polymer     .   
PRD_002429 2 2 non-polymer R8L 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002429 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "(E)-3-[2-[(2R,3S)-3-[(1R)-1-aminocarbonyloxypropyl]oxiran-2-yl]phenyl]prop-2-enoic acid" 
_pdbx_reference_entity_nonpoly.chem_comp_id    R8L 
_pdbx_reference_entity_nonpoly.details         . 
# 
_pdbx_reference_entity_link.prd_id              PRD_002429 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    1 
_pdbx_reference_entity_link.comp_id_1           THR 
_pdbx_reference_entity_link.atom_id_1           N 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    . 
_pdbx_reference_entity_link.comp_id_2           R8L 
_pdbx_reference_entity_link.atom_id_2           C7 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             . 
_pdbx_reference_entity_link.nonpoly_res_num_1   . 
_pdbx_reference_entity_link.nonpoly_res_num_2   . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002429 1 1  C   THR   1 N D4P   2  sing 1 . . . 
PRD_002429 1 2  OG1 THR   1 C DPN   10 sing 1 . . . 
PRD_002429 1 3  C   D4P   2 N GLU   3  sing 1 . . . 
PRD_002429 1 4  C   GLU   3 N GLY   4  sing 1 . . . 
PRD_002429 1 5  C   GLY   4 N BB8   5  sing 1 . . . 
PRD_002429 1 6  C   BB8   5 N PRO   6  sing 1 . . . 
PRD_002429 1 7  C   PRO   6 N KJW   7  sing 1 . . . 
PRD_002429 1 8  C   KJW   7 N GLY   8  sing 1 . . . 
PRD_002429 1 9  C   GLY   8 N A1D5P 9  sing 1 . . . 
PRD_002429 1 10 C   A1D5P 9 N DPN   10 sing 1 . . . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002429 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002429 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002429 1 1  THR   THR N Y 
PRD_002429 1 2  D4P   .   N Y 
PRD_002429 1 3  GLU   GLU N Y 
PRD_002429 1 4  GLY   GLY N Y 
PRD_002429 1 5  BB8   PHE N Y 
PRD_002429 1 6  PRO   PRO N Y 
PRD_002429 1 7  KJW   .   N Y 
PRD_002429 1 8  GLY   GLY N Y 
PRD_002429 1 9  A1D5P TYR N Y 
PRD_002429 1 10 DPN   .   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_002429 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1916 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces lividans" 
_pdbx_reference_entity_src_nat.source                . 
_pdbx_reference_entity_src_nat.db_code               . 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002429 2024-06-11 PDBC "Create molecule" 
PRD_002429 2024-06-19 RCSB "Initial release" 
# 
data_PRD_002430
# 
_pdbx_reference_molecule.prd_id                       PRD_002430 
_pdbx_reference_molecule.name                         "Darobactin 9" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C49 H57 N12 O12" 
_pdbx_reference_molecule.formula_weight               1006.050 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;The native darobactin A producer Photorhabdus khanii HGB1456 shows very limited production under laboratory cultivation conditions. Hence scientists designed heterologous expression of the darobactin biosynthetic gene cluster (BGC) in Escherichia coli. Rational design of darA variant resulted in the production of new 'non-natural' darobactin derivatives. One of the non-natural compounds, darobactin 9, was more potent than darobactin A.
;
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8ADI 
# 
_pdbx_reference_entity_list.prd_id          PRD_002430 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002430 1 1 C   0AF 1 N  ASN 2 sing 1 ? ? ? 
PRD_002430 1 2 O1  0AF 1 CB TRP 3 sing 1 ? ? ? 
PRD_002430 1 3 C   ASN 2 N  TRP 3 sing 1 ? ? ? 
PRD_002430 1 4 C   TRP 3 N  SER 4 sing 1 ? ? ? 
PRD_002430 1 5 CH2 TRP 3 CB LYS 5 sing 1 ? ? ? 
PRD_002430 1 6 C   SER 4 N  LYS 5 sing 1 ? ? ? 
PRD_002430 1 7 C   LYS 5 N  SER 6 sing 1 ? ? ? 
PRD_002430 1 8 C   SER 6 N  TRP 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002430 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002430 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002430 1 1 0AF TRP N Y 
PRD_002430 1 2 ASN ASN N Y 
PRD_002430 1 3 TRP TRP N Y 
PRD_002430 1 4 SER SER N Y 
PRD_002430 1 5 LYS LYS N Y 
PRD_002430 1 6 SER SER N Y 
PRD_002430 1 7 TRP TRP N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002430 2022-10-03 PDBE "Create molecule" 
PRD_002430 2023-01-11 RCSB "Initial release" 
# 
data_PRD_002431
# 
_pdbx_reference_molecule.prd_id                       PRD_002431 
_pdbx_reference_molecule.name                         "Cyclic tetraadenosine monophosphate (cA4)" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Polycyclic 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antiviral 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C40 H48 N20 O24 P4" 
_pdbx_reference_molecule.formula_weight               1316.824 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "CRISPR-Cas systems provide bacteria with adaptive immunity against bacteriophages. Cyclic oligoadenylate signaling was found to be essential for the type III system against the jumbo phage." 
_pdbx_reference_molecule.description                  "Cyclic oligoadenylates such as c-tetraAMP were found to be novel bacterial second messengers. Antiviral in context of signalling for Type III CRISPR-Cas systems." 
_pdbx_reference_molecule.representative_PDB_id_code   8B0R 
# 
_pdbx_reference_entity_list.prd_id          PRD_002431 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002431 1 1 P     A 1 "O3'" A 4 sing 1 ? ? ? 
PRD_002431 1 2 "O3'" A 1 P     A 2 sing 1 ? ? ? 
PRD_002431 1 3 "O3'" A 2 P     A 3 sing 1 ? ? ? 
PRD_002431 1 4 "O3'" A 3 P     A 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002431 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            nucleic-acid-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002431 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            . 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002431 1 1 A A N Y 
PRD_002431 1 2 A A N Y 
PRD_002431 1 3 A A N Y 
PRD_002431 1 4 A A N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002431 2022-10-04 PDBE "Create molecule"    
PRD_002431 2023-07-12 RCSB "Initial release"    
PRD_002431 2023-07-03 PDBE "Other modification" 
# 
data_PRD_002432
# 
_pdbx_reference_molecule.prd_id                       PRD_002432 
_pdbx_reference_molecule.name                         Pam3-SKKKK 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Lipopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C81 H160 N10 O13 S" 
_pdbx_reference_molecule.formula_weight               1514.261 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8B0P 
# 
_pdbx_reference_entity_list.prd_id          PRD_002432 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002432 1 1 C60 IG7 1 N SER 2 sing 1 ? ? ? 
PRD_002432 1 2 C   SER 2 N LYS 3 sing 1 ? ? ? 
PRD_002432 1 3 C   LYS 3 N LYS 4 sing 1 ? ? ? 
PRD_002432 1 4 C   LYS 4 N LYS 5 sing 1 ? ? ? 
PRD_002432 1 5 C   LYS 5 N LYS 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002432 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002432 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002432 1 1 IG7 .   N Y 
PRD_002432 1 2 SER SER N Y 
PRD_002432 1 3 LYS LYS N Y 
PRD_002432 1 4 LYS LYS N Y 
PRD_002432 1 5 LYS LYS N Y 
PRD_002432 1 6 LYS LYS N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002432 2022-10-05 PDBE "Create molecule" 
PRD_002432 2023-07-12 RCSB "Initial release" 
# 
data_PRD_002435
# 
_pdbx_reference_molecule.prd_id                       PRD_002435 
_pdbx_reference_molecule.name                         Auristatin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C49 H86 N5 O8" 
_pdbx_reference_molecule.formula_weight               873.236 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7JFR 
# 
_pdbx_reference_entity_list.prd_id          PRD_002435 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002435 1 1 C V9M 1 N VAL 2 sing 1 ? ? ? 
PRD_002435 1 2 C VAL 2 N 3WT 3 sing 1 ? ? ? 
PRD_002435 1 3 C 3WT 3 N 3WU 4 sing 1 ? ? ? 
PRD_002435 1 4 C 3WU 4 N 3FB 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002435 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002435 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002435 1 1 V9M .   N Y 
PRD_002435 1 2 VAL VAL N Y 
PRD_002435 1 3 3WT .   N Y 
PRD_002435 1 4 3WU .   N Y 
PRD_002435 1 5 3FB .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002435 2020-07-22 RCSB "Create molecule"    
PRD_002435 2020-09-16 RCSB "Initial release"    
PRD_002435 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002441
# 
_pdbx_reference_molecule.prd_id                       PRD_002441 
_pdbx_reference_molecule.name                         "Myxovalargin B" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        ? 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C80 H136 N21 O17" 
_pdbx_reference_molecule.formula_weight               1664.066 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8B7Y 
# 
_pdbx_reference_entity_list.prd_id          PRD_002441 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002441 1 1  C ALQ 1  N RXL 2  sing 1 ? ? ? 
PRD_002441 1 2  C RXL 2  N ALA 3  sing 1 ? ? ? 
PRD_002441 1 3  C ALA 3  N MAA 4  sing 1 ? ? ? 
PRD_002441 1 4  C MAA 4  N DVA 5  sing 1 ? ? ? 
PRD_002441 1 5  C DVA 5  N DVA 6  sing 1 ? ? ? 
PRD_002441 1 6  C DVA 6  N IB9 7  sing 1 ? ? ? 
PRD_002441 1 7  C IB9 7  N DVA 8  sing 1 ? ? ? 
PRD_002441 1 8  C DVA 8  N RXL 9  sing 1 ? ? ? 
PRD_002441 1 9  C RXL 9  N DAR 10 sing 1 ? ? ? 
PRD_002441 1 10 C DAR 10 N VAL 11 sing 1 ? ? ? 
PRD_002441 1 11 C VAL 11 N DVA 12 sing 1 ? ? ? 
PRD_002441 1 12 C DVA 12 N RX9 13 sing 1 ? ? ? 
PRD_002441 1 13 C RX9 13 N DAL 14 sing 1 ? ? ? 
PRD_002441 1 14 C DAL 14 N DHV 15 sing 1 ? ? ? 
PRD_002441 1 15 C DHV 15 N AG2 16 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002441 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002441 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002441 1 1  ALQ .   N Y 
PRD_002441 1 2  RXL VAL N Y 
PRD_002441 1 3  ALA ALA N Y 
PRD_002441 1 4  MAA ALA N Y 
PRD_002441 1 5  DVA .   N Y 
PRD_002441 1 6  DVA .   N Y 
PRD_002441 1 7  IB9 TYR N Y 
PRD_002441 1 8  DVA .   N Y 
PRD_002441 1 9  RXL VAL N Y 
PRD_002441 1 10 DAR .   N Y 
PRD_002441 1 11 VAL VAL N Y 
PRD_002441 1 12 DVA .   N Y 
PRD_002441 1 13 RX9 ILE N Y 
PRD_002441 1 14 DAL .   N Y 
PRD_002441 1 15 DHV .   N Y 
PRD_002441 1 16 AG2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002441 2022-12-30 PDBE "Create molecule"    
PRD_002441 2023-01-25 RCSB "Initial release"    
PRD_002441 2023-05-11 PDBE "Other modification" 
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Myxococcus fulvus" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002441 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 33 
# 
data_PRD_002442
# 
_pdbx_reference_molecule.prd_id                       PRD_002442 
_pdbx_reference_molecule.name                         "Myxovalargin A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C81 H138 N21 O17" 
_pdbx_reference_molecule.formula_weight               1678.093 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "PubChem CID	137628402" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7QQ3 
# 
_pdbx_reference_entity_list.prd_id          PRD_002442 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002442 1 1  C IVA 1  N RXL 2  sing 1 ? ? ? 
PRD_002442 1 2  C RXL 2  N ALA 3  sing 1 ? ? ? 
PRD_002442 1 3  C ALA 3  N MAA 4  sing 1 ? ? ? 
PRD_002442 1 4  C MAA 4  N DVA 5  sing 1 ? ? ? 
PRD_002442 1 5  C DVA 5  N DVA 6  sing 1 ? ? ? 
PRD_002442 1 6  C DVA 6  N IB9 7  sing 1 ? ? ? 
PRD_002442 1 7  C IB9 7  N DVA 8  sing 1 ? ? ? 
PRD_002442 1 8  C DVA 8  N RXL 9  sing 1 ? ? ? 
PRD_002442 1 9  C RXL 9  N DAR 10 sing 1 ? ? ? 
PRD_002442 1 10 C DAR 10 N VAL 11 sing 1 ? ? ? 
PRD_002442 1 11 C VAL 11 N DVA 12 sing 1 ? ? ? 
PRD_002442 1 12 C DVA 12 N RX9 13 sing 1 ? ? ? 
PRD_002442 1 13 C RX9 13 N DAL 14 sing 1 ? ? ? 
PRD_002442 1 14 C DAL 14 N DHV 15 sing 1 ? ? ? 
PRD_002442 1 15 C DHV 15 N AG2 16 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002442 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002442 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002442 1 1  IVA .   N Y 
PRD_002442 1 2  RXL VAL N Y 
PRD_002442 1 3  ALA ALA N Y 
PRD_002442 1 4  MAA ALA N Y 
PRD_002442 1 5  DVA .   N Y 
PRD_002442 1 6  DVA .   N Y 
PRD_002442 1 7  IB9 TYR N Y 
PRD_002442 1 8  DVA .   N Y 
PRD_002442 1 9  RXL VAL N Y 
PRD_002442 1 10 DAR .   N Y 
PRD_002442 1 11 VAL VAL N Y 
PRD_002442 1 12 DVA .   N Y 
PRD_002442 1 13 RX9 ILE N Y 
PRD_002442 1 14 DAL .   N Y 
PRD_002442 1 15 DHV .   N Y 
PRD_002442 1 16 AG2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002442 2022-12-30 PDBE "Create molecule"    
PRD_002442 2023-01-18 RCSB "Initial release"    
PRD_002442 2023-05-11 PDBE "Other modification" 
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Myxococcus fulvus" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002442 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 33 
# 
data_PRD_002443
# 
_pdbx_reference_molecule.prd_id                       PRD_002443 
_pdbx_reference_molecule.name                         SiaLac-amidine-Lys 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        ? 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C33 H57 N5 O20 S" 
_pdbx_reference_molecule.formula_weight               875.892 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8BJZ 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002443 1 1 branched    .   
PRD_002443 2 2 non-polymer SL9 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002443 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "(2~{S})-2-acetamido-6-(2-sulfanylethanimidoylamino)hexanamide" 
_pdbx_reference_entity_nonpoly.chem_comp_id    SL9 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_link.prd_id              PRD_002443 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    1 
_pdbx_reference_entity_link.comp_id_1           BGC 
_pdbx_reference_entity_link.atom_id_1           C1 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    . 
_pdbx_reference_entity_link.comp_id_2           SL9 
_pdbx_reference_entity_link.atom_id_2           S1 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             . 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002443 1 1 O4 BGC 1 C1 GAL 2 sing 1 ? ? ? 
PRD_002443 1 2 O3 GAL 2 C2 SIA 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002443 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002443 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002443 1 1 BGC . N Y 
PRD_002443 1 2 GAL . N Y 
PRD_002443 1 3 SIA . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002443 2023-01-01 PDBE "Create molecule" 
PRD_002443 2023-09-27 RCSB "Initial release" 
# 
data_PRD_002447
# 
_pdbx_reference_molecule.prd_id                       PRD_002447 
_pdbx_reference_molecule.name                         "TELAPREVIR, bound form" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antiviral 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H55 N7 O6" 
_pdbx_reference_molecule.formula_weight               681.865 
_pdbx_reference_molecule.chem_comp_id                 SV6 
_pdbx_reference_molecule.release_status               OBS 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3SV6 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002447 
_pdbx_reference_entity_subcomponents.seq            "VGL CHG TBG 037 03A" 
_pdbx_reference_entity_subcomponents.chem_comp_id   SV6 
# 
_pdbx_reference_entity_list.prd_id          PRD_002447 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002447 1 1 C2 VGL 1 N   CHG 2 SING 1 ? ? ? 
PRD_002447 1 2 C  CHG 2 N   TBG 3 SING 1 ? ? ? 
PRD_002447 1 3 C  TBG 3 N   037 4 SING 1 ? ? ? 
PRD_002447 1 4 C  037 4 NAE 03A 5 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002447 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002447 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002447 1 1 VGL .   N Y 
PRD_002447 1 2 CHG .   N Y 
PRD_002447 1 3 TBG VAL N Y 
PRD_002447 1 4 037 PRO N Y 
PRD_002447 1 5 03A .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002447 2020-09-22 RCSB "Create molecule"   
PRD_002447 2020-10-07 RCSB "Initial release"   
PRD_002447 2020-10-14 RCSB "Obsolete molecule" 
# 
data_PRD_002448
# 
_pdbx_reference_molecule.prd_id                       PRD_002448 
_pdbx_reference_molecule.name                         "TELAPREVIR, bound form" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antiviral 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H55 N7 O6" 
_pdbx_reference_molecule.formula_weight               681.865 
_pdbx_reference_molecule.chem_comp_id                 SV6 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3SV6 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002448 
_pdbx_reference_entity_subcomponents.seq            "VGL CHG TBG 037 03A" 
_pdbx_reference_entity_subcomponents.chem_comp_id   SV6 
# 
_pdbx_reference_entity_list.prd_id          PRD_002448 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002448 1 1 C2 VGL 1 N   CHG 2 SING 1 ? ? ? 
PRD_002448 1 2 C  CHG 2 N   TBG 3 SING 1 ? ? ? 
PRD_002448 1 3 C  TBG 3 N   037 4 SING 1 ? ? ? 
PRD_002448 1 4 C  037 4 NAE 03A 5 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002448 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002448 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002448 1 1 VGL .   N Y 
PRD_002448 1 2 CHG .   N Y 
PRD_002448 1 3 TBG VAL N Y 
PRD_002448 1 4 037 PRO N Y 
PRD_002448 1 5 03A .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002448 2020-09-22 RCSB "Create molecule" 
PRD_002448 2020-09-30 RCSB "Initial release" 
# 
data_PRD_002449
# 
_pdbx_reference_molecule.prd_id                       PRD_002449 
_pdbx_reference_molecule.name                         "(ACE)(1MH)D(B3L)F(1U8)" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "CASPASE inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C44 H54 N6 O12" 
_pdbx_reference_molecule.formula_weight               858.933 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6CKZ 
# 
_pdbx_reference_entity_list.prd_id          PRD_002449 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002449 1 1 C ACE 1 N 1MH 2 sing 1 ? ? ? 
PRD_002449 1 2 C 1MH 2 N ASP 3 sing 1 ? ? ? 
PRD_002449 1 3 C ASP 3 N B3L 4 sing 1 ? ? ? 
PRD_002449 1 4 C B3L 4 N PHE 5 sing 1 ? ? ? 
PRD_002449 1 5 C PHE 5 N 1U8 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002449 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002449 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002449 1 1 ACE .   N Y 
PRD_002449 1 2 1MH .   N Y 
PRD_002449 1 3 ASP ASP N Y 
PRD_002449 1 4 B3L .   N Y 
PRD_002449 1 5 PHE PHE N Y 
PRD_002449 1 6 1U8 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002449 2020-09-22 RCSB "Create molecule" 
PRD_002449 2020-09-30 RCSB "Initial release" 
# 
data_PRD_002450
# 
_pdbx_reference_molecule.prd_id                       PRD_002450 
_pdbx_reference_molecule.name                         "(ACE)(1MH)D(PF5)F(1U8)" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "CASPASE inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C46 H45 F5 N6 O12" 
_pdbx_reference_molecule.formula_weight               968.875 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6CL0 
# 
_pdbx_reference_entity_list.prd_id          PRD_002450 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002450 1 1 C ACE 1 N 1MH 2 sing 1 ? ? ? 
PRD_002450 1 2 C 1MH 2 N ASP 3 sing 1 ? ? ? 
PRD_002450 1 3 C ASP 3 N PF5 4 sing 1 ? ? ? 
PRD_002450 1 4 C PF5 4 N PHE 5 sing 1 ? ? ? 
PRD_002450 1 5 C PHE 5 N 1U8 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002450 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002450 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002450 1 1 ACE .   N Y 
PRD_002450 1 2 1MH .   N Y 
PRD_002450 1 3 ASP ASP N Y 
PRD_002450 1 4 PF5 PHE N Y 
PRD_002450 1 5 PHE PHE N Y 
PRD_002450 1 6 1U8 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002450 2020-09-22 RCSB "Create molecule" 
PRD_002450 2020-09-30 RCSB "Initial release" 
# 
data_PRD_002452
# 
_pdbx_reference_molecule.prd_id                       PRD_002452 
_pdbx_reference_molecule.name                         "2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate " 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H40 Cl N3 O5" 
_pdbx_reference_molecule.formula_weight               522.077 
_pdbx_reference_molecule.chem_comp_id                 TKP 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6W5H 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002452 
_pdbx_reference_entity_subcomponents.seq            "VZ7 ALC ELL" 
_pdbx_reference_entity_subcomponents.chem_comp_id   TKP 
# 
_pdbx_reference_entity_list.prd_id          PRD_002452 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002452 1 1 C05 VZ7 1 N ALC 2 SING 1 ? ? ? 
PRD_002452 1 2 C   ALC 2 N ELL 3 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002452 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002452 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002452 1 1 VZ7 .   N Y 
PRD_002452 1 2 ALC ALA N Y 
PRD_002452 1 3 ELL .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002452 2020-09-23 .    "Create molecule" 
PRD_002452 2020-10-14 RCSB "Initial release" 
# 
data_PRD_002454
# 
_pdbx_reference_molecule.prd_id                       PRD_002454 
_pdbx_reference_molecule.name                         "Substrate-like cysteine protease inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C46 H70 Cl N10 O9" 
_pdbx_reference_molecule.formula_weight               942.563 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7KLD 
# 
_pdbx_reference_entity_list.prd_id          PRD_002454 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002454 1 1 C LYS 1 N LEU 2 sing 1 ? ? ? 
PRD_002454 1 2 C LEU 2 N ASN 3 sing 1 ? ? ? 
PRD_002454 1 3 C ASN 3 N LEU 4 sing 1 ? ? ? 
PRD_002454 1 4 C LEU 4 N GLN 5 sing 1 ? ? ? 
PRD_002454 1 5 C GLN 5 N PHE 6 sing 1 ? ? ? 
PRD_002454 1 6 C PHE 6 N PCS 7 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002454 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002454 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002454 1 1 LYS LYS N Y 
PRD_002454 1 2 LEU LEU N Y 
PRD_002454 1 3 ASN ASN N Y 
PRD_002454 1 4 LEU LEU N Y 
PRD_002454 1 5 GLN GLN N Y 
PRD_002454 1 6 PHE PHE N Y 
PRD_002454 1 7 PCS PHE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002454 2020-11-02 RCSB "Create molecule" 
PRD_002454 2021-09-01 RCSB "Initial release" 
# 
data_PRD_002455
# 
_pdbx_reference_molecule.prd_id                       PRD_002455 
_pdbx_reference_molecule.name                         D-PMI-omega 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C82 H115 Cl N17 O20" 
_pdbx_reference_molecule.formula_weight               1694.345 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7KJN 
# 
_pdbx_reference_entity_list.prd_id          PRD_002455 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002455 1 1  C DGL 1  N DPN 2  sing 1 ? ? ? 
PRD_002455 1 2  C DPN 2  N DTR 3  sing 1 ? ? ? 
PRD_002455 1 3  C DTR 3  N DTY 4  sing 1 ? ? ? 
PRD_002455 1 4  C DTY 4  N DVA 5  sing 1 ? ? ? 
PRD_002455 1 5  C DVA 5  N DGL 6  sing 1 ? ? ? 
PRD_002455 1 6  C DGL 6  N D0C 7  sing 1 ? ? ? 
PRD_002455 1 7  C D0C 7  N DGL 8  sing 1 ? ? ? 
PRD_002455 1 8  C DGL 8  N DLY 9  sing 1 ? ? ? 
PRD_002455 1 9  C DLY 9  N DLE 10 sing 1 ? ? ? 
PRD_002455 1 10 C DLE 10 N DLE 11 sing 1 ? ? ? 
PRD_002455 1 11 C DLE 11 N DAR 12 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002455 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002455 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002455 1 1  DGL . N Y 
PRD_002455 1 2  DPN . N Y 
PRD_002455 1 3  DTR . N Y 
PRD_002455 1 4  DTY . N Y 
PRD_002455 1 5  DVA . N Y 
PRD_002455 1 6  DGL . N Y 
PRD_002455 1 7  D0C . N Y 
PRD_002455 1 8  DGL . N Y 
PRD_002455 1 9  DLY . N Y 
PRD_002455 1 10 DLE . N Y 
PRD_002455 1 11 DLE . N Y 
PRD_002455 1 12 DAR . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002455 2020-11-02 .    "Create molecule" 
PRD_002455 2021-11-17 RCSB "Initial release" 
# 
data_PRD_002456
# 
_pdbx_reference_molecule.prd_id                       PRD_002456 
_pdbx_reference_molecule.name                         ecumicin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C83 H135 N14 O17" 
_pdbx_reference_molecule.formula_weight               1601.044 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6PBS 
# 
_pdbx_reference_entity_list.prd_id          PRD_002456 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002456 1 1  C   O7G 1  N VAL 2  sing 1 ? ? ? 
PRD_002456 1 2  C   VAL 2  N WZJ 3  sing 1 ? ? ? 
PRD_002456 1 3  C   WZJ 3  N THR 4  sing 1 ? ? ? 
PRD_002456 1 4  C   THR 4  N NZC 5  sing 1 ? ? ? 
PRD_002456 1 5  OG1 THR 4  C VAL 13 sing 1 ? ? ? 
PRD_002456 1 6  C   NZC 5  N VAL 6  sing 1 ? ? ? 
PRD_002456 1 7  C   VAL 6  N MLE 7  sing 1 ? ? ? 
PRD_002456 1 8  C   MLE 7  N VAL 8  sing 1 ? ? ? 
PRD_002456 1 9  C   VAL 8  N MVA 9  sing 1 ? ? ? 
PRD_002456 1 10 C   MVA 9  N O7D 10 sing 1 ? ? ? 
PRD_002456 1 11 C   O7D 10 N VAL 11 sing 1 ? ? ? 
PRD_002456 1 12 C   VAL 11 N H14 12 sing 1 ? ? ? 
PRD_002456 1 13 C   H14 12 N VAL 13 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002456 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002456 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002456 1 1  O7G VAL N Y 
PRD_002456 1 2  VAL VAL N Y 
PRD_002456 1 3  WZJ .   N Y 
PRD_002456 1 4  THR THR N Y 
PRD_002456 1 5  NZC THR N Y 
PRD_002456 1 6  VAL VAL N Y 
PRD_002456 1 7  MLE LEU N Y 
PRD_002456 1 8  VAL VAL N Y 
PRD_002456 1 9  MVA VAL N Y 
PRD_002456 1 10 O7D TRP N Y 
PRD_002456 1 11 VAL VAL N Y 
PRD_002456 1 12 H14 PHE N Y 
PRD_002456 1 13 VAL VAL N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002456 2020-11-19 .    "Create molecule"    
PRD_002456 2020-12-30 RCSB "Initial release"    
PRD_002456 2023-11-03 PDBE "Other modification" 
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Nonomuraea sp. MJM5123" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002456 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 1562372 
# 
data_PRD_002457
# 
_pdbx_reference_molecule.prd_id                       PRD_002457 
_pdbx_reference_molecule.name                         "beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-2-deoxy-2-fluoro-alpha-D-glucopyranose" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H31 F O15" 
_pdbx_reference_molecule.formula_weight               506.428 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7KR6 
# 
_pdbx_reference_entity_list.prd_id          PRD_002457 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002457 1 1 O3 G2F 1 C1 BGC 2 sing 1 ? ? ? 
PRD_002457 1 2 O4 BGC 2 C1 BGC 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002457 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002457 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002457 1 1 G2F . N Y 
PRD_002457 1 2 BGC . N Y 
PRD_002457 1 3 BGC . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002457 2020-11-23 RCSB "Create molecule" 
PRD_002457 2021-05-19 RCSB "Initial release" 
# 
data_PRD_002459
# 
_pdbx_reference_molecule.prd_id                       PRD_002459 
_pdbx_reference_molecule.name                         "Dodecyl melibioside" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Polysaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Protein binding" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H46 O11" 
_pdbx_reference_molecule.formula_weight               510.615 
_pdbx_reference_molecule.chem_comp_id                 LMO 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7L16 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002459 
_pdbx_reference_entity_subcomponents.seq            "XKJ GLA" 
_pdbx_reference_entity_subcomponents.chem_comp_id   LMO 
# 
_pdbx_reference_entity_list.prd_id          PRD_002459 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            non-polymer 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_002459 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O6 
_pdbx_reference_entity_poly_link.comp_id_1          XKJ 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          GLA 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002459 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002459 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002459 1 1 XKJ BGC N Y 
PRD_002459 1 2 GLA .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002459 2020-12-22 RCSB "Create molecule" 
PRD_002459 2021-08-04 RCSB "Initial release" 
# 
data_PRD_002460
# 
_pdbx_reference_molecule.prd_id                       PRD_002460 
_pdbx_reference_molecule.name                         "Calpain I Inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H39 N3 O5" 
_pdbx_reference_molecule.formula_weight               401.541 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1-(1-FORMYL-PENTYLCARBAMOYL)-3-METHYL-BUTYL]-AMIDE" 
_pdbx_reference_molecule.description                  "Calpain I inhibitor" 
_pdbx_reference_molecule.representative_PDB_id_code   7LBN 
# 
_pdbx_reference_entity_list.prd_id          PRD_002460 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002460 1 1 C ACE 1 N LEU 2 sing 1 ? ? ? 
PRD_002460 1 2 C LEU 2 N LEU 3 sing 1 ? ? ? 
PRD_002460 1 3 C LEU 3 N 2DO 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002460 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002460 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002460 1 1 ACE .   N Y 
PRD_002460 1 2 LEU LEU N Y 
PRD_002460 1 3 LEU LEU N Y 
PRD_002460 1 4 2DO .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002460 2021-01-11 .    "Create molecule"      
PRD_002460 2021-02-24 RCSB "Initial release"      
PRD_002460 2025-02-04 RCSB "Modify molecule name" 
# 
data_PRD_002466
# 
_pdbx_reference_molecule.prd_id                       PRD_002466 
_pdbx_reference_molecule.name                         Cyclohexyl-Griselimycin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C63 H106 N10 O12" 
_pdbx_reference_molecule.formula_weight               1195.576 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Novel synthetic analog of natural product Griselimycin" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8CIY 
# 
_pdbx_reference_entity_list.prd_id          PRD_002466 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002466 1 1  C   ACE 1  N MVA 2  sing 1 ? ? ? 
PRD_002466 1 2  C   MVA 2  N MP8 3  sing 1 ? ? ? 
PRD_002466 1 3  C   MP8 3  N NZC 4  sing 1 ? ? ? 
PRD_002466 1 4  C   NZC 4  N LEU 5  sing 1 ? ? ? 
PRD_002466 1 5  OG1 NZC 4  C GLY 11 sing 1 ? ? ? 
PRD_002466 1 6  C   LEU 5  N MP8 6  sing 1 ? ? ? 
PRD_002466 1 7  C   MP8 6  N LEU 7  sing 1 ? ? ? 
PRD_002466 1 8  C   LEU 7  N MVA 8  sing 1 ? ? ? 
PRD_002466 1 9  C   MVA 8  N PH6 9  sing 1 ? ? ? 
PRD_002466 1 10 C   PH6 9  N MLU 10 sing 1 ? ? ? 
PRD_002466 1 11 C   MLU 10 N GLY 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002466 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002466 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002466 1 1  ACE .   N Y 
PRD_002466 1 2  MVA VAL N Y 
PRD_002466 1 3  MP8 PRO N Y 
PRD_002466 1 4  NZC THR N Y 
PRD_002466 1 5  LEU LEU N Y 
PRD_002466 1 6  MP8 PRO N Y 
PRD_002466 1 7  LEU LEU N Y 
PRD_002466 1 8  MVA VAL N Y 
PRD_002466 1 9  PH6 PRO N Y 
PRD_002466 1 10 MLU .   N Y 
PRD_002466 1 11 GLY GLY N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002466 2023-05-05 PDBE "Create molecule" 
PRD_002466 2023-11-29 RCSB "Initial release" 
# 
data_PRD_002467
# 
_pdbx_reference_molecule.prd_id                       PRD_002467 
_pdbx_reference_molecule.name                         "Mycoplanecin A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antimicrobial 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C61 H102 N10 O13" 
_pdbx_reference_molecule.formula_weight               1183.522 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             Antimycobacterial 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8CIZ 
# 
_pdbx_reference_entity_list.prd_id          PRD_002467 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002467 1 1  C   2KT 1  N MVA 2  sing 1 ? ? ? 
PRD_002467 1 2  C   MVA 2  N V3C 3  sing 1 ? ? ? 
PRD_002467 1 3  C   V3C 3  N NZC 4  sing 1 ? ? ? 
PRD_002467 1 4  C   NZC 4  N LEU 5  sing 1 ? ? ? 
PRD_002467 1 5  OG1 NZC 4  C GLY 11 sing 1 ? ? ? 
PRD_002467 1 6  C   LEU 5  N MP8 6  sing 1 ? ? ? 
PRD_002467 1 7  C   MP8 6  N HLX 7  sing 1 ? ? ? 
PRD_002467 1 8  C   HLX 7  N MVA 8  sing 1 ? ? ? 
PRD_002467 1 9  C   MVA 8  N PRO 9  sing 1 ? ? ? 
PRD_002467 1 10 C   PRO 9  N MLU 10 sing 1 ? ? ? 
PRD_002467 1 11 C   MLU 10 N GLY 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002467 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002467 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002467 1 1  2KT .   N Y 
PRD_002467 1 2  MVA VAL N Y 
PRD_002467 1 3  V3C PRO N Y 
PRD_002467 1 4  NZC THR N Y 
PRD_002467 1 5  LEU LEU N Y 
PRD_002467 1 6  MP8 PRO N Y 
PRD_002467 1 7  HLX .   N Y 
PRD_002467 1 8  MVA VAL N Y 
PRD_002467 1 9  PRO PRO N Y 
PRD_002467 1 10 MLU .   N Y 
PRD_002467 1 11 GLY GLY N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002467 2023-05-05 PDBE "Create molecule"    
PRD_002467 2023-11-03 PDBE "Other modification" 
PRD_002467 2023-11-29 RCSB "Initial release"    
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Actinoplanes awajinensis subsp. mycoplanecinus" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002467 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 135947 
# 
data_PRD_002469
# 
_pdbx_reference_molecule.prd_id                       PRD_002469 
_pdbx_reference_molecule.name                         "Inhibitor 18" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H42 N4 O6" 
_pdbx_reference_molecule.formula_weight               554.678 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Native is aldehyde form before covalent addition to protein" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7M2P 
# 
_pdbx_reference_entity_list.prd_id          PRD_002469 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002469 1 1 C19 P6S 1 N VAL 2 sing 1 ? ? ? 
PRD_002469 1 2 C   VAL 2 N ALC 3 sing 1 ? ? ? 
PRD_002469 1 3 C   ALC 3 N YOP 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002469 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002469 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002469 1 1 P6S .   N Y 
PRD_002469 1 2 VAL VAL N Y 
PRD_002469 1 3 ALC ALA N Y 
PRD_002469 1 4 YOP .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002469 2021-03-17 RCSB "Create molecule" 
PRD_002469 2021-08-25 RCSB "Initial release" 
# 
data_PRD_002470
# 
_pdbx_reference_molecule.prd_id                       PRD_002470 
_pdbx_reference_molecule.name                         "Agrocinopine A (alpha-L-arabinopyranose form)" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C17 H31 O18 P" 
_pdbx_reference_molecule.formula_weight               554.391 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "A member of the class of agrocinopines that consists of sucrose and L-arabinose units joined via a phosphodiester linkage between position 4F of sucrose and position 2 of arabinose." 
_pdbx_reference_molecule.description                  "phosphodiester of sucrose and L-arabinose" 
_pdbx_reference_molecule.representative_PDB_id_code   4ZEB 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002470 1 1 branched    .   
PRD_002470 2 2 non-polymer LAO 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002470 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            2-O-phosphono-alpha-L-arabinopyranose 
_pdbx_reference_entity_nonpoly.chem_comp_id    LAO 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_link.prd_id              PRD_002470 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    2 
_pdbx_reference_entity_link.comp_id_1           FRU 
_pdbx_reference_entity_link.atom_id_1           O4 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    . 
_pdbx_reference_entity_link.comp_id_2           LAO 
_pdbx_reference_entity_link.atom_id_2           P 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             . 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_002470 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          C1 
_pdbx_reference_entity_poly_link.comp_id_1          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          O2 
_pdbx_reference_entity_poly_link.comp_id_2          FRU 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        sing 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002470 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002470 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002470 1 1 GLC . N Y 
PRD_002470 1 2 FRU . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002470 2023-05-17 PDBE "Create molecule"    
PRD_002470 2023-05-24 RCSB "Initial release"    
PRD_002470 2023-05-24 PDBE "Other modification" 
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Agrobacterium fabrum str. C58" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002470 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 176299 
# 
data_PRD_002471
# 
_pdbx_reference_molecule.prd_id                       PRD_002471 
_pdbx_reference_molecule.name                         "N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]-L-phenylalaninamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H40 N6 O5" 
_pdbx_reference_molecule.formula_weight               576.686 
_pdbx_reference_molecule.chem_comp_id                 YVP 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7MAU 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002471 
_pdbx_reference_entity_subcomponents.seq            "YWD DPN PHE ARM" 
_pdbx_reference_entity_subcomponents.chem_comp_id   YVP 
# 
_pdbx_reference_entity_list.prd_id          PRD_002471 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002471 1 1 C01 YWD 1 N DPN 2 SING 1 ? ? ? 
PRD_002471 1 2 C   DPN 2 N PHE 3 SING 1 ? ? ? 
PRD_002471 1 3 C   PHE 3 N ARM 4 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002471 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002471 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002471 1 1 YWD .   N Y 
PRD_002471 1 2 DPN .   N Y 
PRD_002471 1 3 PHE PHE N Y 
PRD_002471 1 4 ARM ARG N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002471 2021-04-01 .    "Create molecule" 
PRD_002471 2022-10-12 RCSB "Initial release" 
# 
data_PRD_002472
# 
_pdbx_reference_molecule.prd_id                       PRD_002472 
_pdbx_reference_molecule.name                         "N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-(carbamoylamino)-2-oxohexan-3-yl]-L-phenylalaninamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H39 N5 O6" 
_pdbx_reference_molecule.formula_weight               577.671 
_pdbx_reference_molecule.chem_comp_id                 YVY 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7MAV 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002472 
_pdbx_reference_entity_subcomponents.seq            "YWD DPN PHE YWG" 
_pdbx_reference_entity_subcomponents.chem_comp_id   YVY 
# 
_pdbx_reference_entity_list.prd_id          PRD_002472 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002472 1 1 C01 YWD 1 N   DPN 2 SING 1 ? ? ? 
PRD_002472 1 2 C   DPN 2 N   PHE 3 SING 1 ? ? ? 
PRD_002472 1 3 C   PHE 3 N18 YWG 4 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002472 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002472 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002472 1 1 YWD .   N Y 
PRD_002472 1 2 DPN .   N Y 
PRD_002472 1 3 PHE PHE N Y 
PRD_002472 1 4 YWG .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002472 2021-04-01 .    "Create molecule" 
PRD_002472 2022-10-12 RCSB "Initial release" 
# 
data_PRD_002473
# 
_pdbx_reference_molecule.prd_id                       PRD_002473 
_pdbx_reference_molecule.name                         "Agrocinopine A (beta-L-arabinopyranose form)" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C17 H31 O18 P" 
_pdbx_reference_molecule.formula_weight               554.391 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "A member of the class of agrocinopines that consists of sucrose and L-arabinose units joined via a phosphodiester linkage between position 4F of sucrose and position 2 of arabinose." 
_pdbx_reference_molecule.description                  "phosphodiester of sucrose and L-arabinose" 
_pdbx_reference_molecule.representative_PDB_id_code   8CKE 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002473 1 1 branched    .   
PRD_002473 2 2 non-polymer VDF 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002473 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            2-O-phosphono-beta-L-arabinopyranose 
_pdbx_reference_entity_nonpoly.chem_comp_id    VDF 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_link.prd_id              PRD_002473 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    2 
_pdbx_reference_entity_link.comp_id_1           FRU 
_pdbx_reference_entity_link.atom_id_1           C4 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    . 
_pdbx_reference_entity_link.comp_id_2           VDF 
_pdbx_reference_entity_link.atom_id_2           OP3 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             . 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_002473 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          C1 
_pdbx_reference_entity_poly_link.comp_id_1          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          O2 
_pdbx_reference_entity_poly_link.comp_id_2          FRU 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        sing 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002473 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002473 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002473 1 1 GLC . N Y 
PRD_002473 1 2 FRU . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002473 2023-05-18 PDBE "Create molecule"    
PRD_002473 2023-06-02 PDBE "Other modification" 
PRD_002473 2024-01-24 RCSB "Initial release"    
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Agrobacterium fabrum str. C58" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002473 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 176299 
# 
data_PRD_002479
# 
_pdbx_reference_molecule.prd_id                       PRD_002479 
_pdbx_reference_molecule.name                         "Cyclic Peptide Inhibitor ZO1-GLN-SER-TPO-45W-MLL" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C34 H48 F3 N6 O14 P" 
_pdbx_reference_molecule.formula_weight               852.746 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7MSO 
# 
_pdbx_reference_entity_list.prd_id          PRD_002479 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002479 1 1 C10 ZO1 1 N   GLN 2 sing 1 ? ? ? 
PRD_002479 1 2 NE2 GLN 2 C50 ZNY 5 sing 1 ? ? ? 
PRD_002479 1 3 C   GLN 2 N   SER 3 sing 1 ? ? ? 
PRD_002479 1 4 C   SER 3 N   TPO 4 sing 1 ? ? ? 
PRD_002479 1 5 C   TPO 4 N   ZNY 5 sing 1 ? ? ? 
PRD_002479 1 6 C   ZNY 5 N   MLL 6 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002479 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002479 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002479 1 1 ZO1 .   N Y 
PRD_002479 1 2 GLN GLN N Y 
PRD_002479 1 3 SER SER N Y 
PRD_002479 1 4 TPO THR N Y 
PRD_002479 1 5 ZNY .   N Y 
PRD_002479 1 6 MLL LEU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002479 2021-05-12 .    "Create molecule" 
PRD_002479 2022-03-02 RCSB "Initial release" 
# 
data_PRD_002482
# 
_pdbx_reference_molecule.prd_id                       PRD_002482 
_pdbx_reference_molecule.name                         "cyclic peptide MP-9903" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C71 H108 N17 O20 S2" 
_pdbx_reference_molecule.formula_weight               1583.849 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7ROV 
# 
_pdbx_reference_entity_list.prd_id          PRD_002482 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002482 1 1  C  ALA 1  N  060 2  sing 1 ? ? ? 
PRD_002482 1 2  C  060 2  N  PRO 3  sing 1 ? ? ? 
PRD_002482 1 3  CS 060 2  SG CYS 12 sing 1 ? ? ? 
PRD_002482 1 4  C  PRO 3  N  LEU 4  sing 1 ? ? ? 
PRD_002482 1 5  C  LEU 4  N  TYR 5  sing 1 ? ? ? 
PRD_002482 1 6  C  TYR 5  N  ILE 6  sing 1 ? ? ? 
PRD_002482 1 7  C  ILE 6  N  SER 7  sing 1 ? ? ? 
PRD_002482 1 8  C  SER 7  N  TYR 8  sing 1 ? ? ? 
PRD_002482 1 9  C  TYR 8  N  ASP 9  sing 1 ? ? ? 
PRD_002482 1 10 C  ASP 9  N  PRO 10 sing 1 ? ? ? 
PRD_002482 1 11 C  PRO 10 N  VAL 11 sing 1 ? ? ? 
PRD_002482 1 12 C  VAL 11 N  CYS 12 sing 1 ? ? ? 
PRD_002482 1 13 C  CYS 12 N  ARG 13 sing 1 ? ? ? 
PRD_002482 1 14 C  ARG 13 N  ALA 14 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002482 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002482 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002482 1 1  ALA ALA N Y 
PRD_002482 1 2  060 .   N Y 
PRD_002482 1 3  PRO PRO N Y 
PRD_002482 1 4  LEU LEU N Y 
PRD_002482 1 5  TYR TYR N Y 
PRD_002482 1 6  ILE ILE N Y 
PRD_002482 1 7  SER SER N Y 
PRD_002482 1 8  TYR TYR N Y 
PRD_002482 1 9  ASP ASP N Y 
PRD_002482 1 10 PRO PRO N Y 
PRD_002482 1 11 VAL VAL N Y 
PRD_002482 1 12 CYS CYS N Y 
PRD_002482 1 13 ARG ARG N Y 
PRD_002482 1 14 ALA ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002482 2021-08-04 .    "Create molecule"    
PRD_002482 2021-09-22 RCSB "Initial release"    
PRD_002482 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002484
# 
_pdbx_reference_molecule.prd_id                       PRD_002484 
_pdbx_reference_molecule.name                         "Agrocin 84 (beta-D-glucopyranose form)" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H34 N6 O16 P2" 
_pdbx_reference_molecule.formula_weight               688.473 
_pdbx_reference_molecule.chem_comp_id                 C84 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;Conjugate contains beta-D-glucose (BGC) and purine (ADE). The nucleoside core, which is essential for toxicity, contains 3'-deoxyarabinose rather than ribose.
;
_pdbx_reference_molecule.description                  "unusual glycan purine conjugate (containing BGC and ADE)" 
_pdbx_reference_molecule.representative_PDB_id_code   4ZEC 
# 
_pdbx_reference_entity_list.prd_id          PRD_002484 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            non-polymer 
_pdbx_reference_entity_list.details         C84 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002484 
_pdbx_reference_entity_nonpoly.ref_entity_id   1 
_pdbx_reference_entity_nonpoly.name            "[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-N-[9-[(2R,3S,5R)-5-[[[(2R,3S)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid" 
_pdbx_reference_entity_nonpoly.chem_comp_id    C84 
_pdbx_reference_entity_nonpoly.details         ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002484 2023-06-06 PDBE "Create molecule" 
PRD_002484 2023-06-14 RCSB "Initial release" 
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Agrobacterium radiobacter K84" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002484 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 311403 
# 
data_PRD_002485
# 
_pdbx_reference_molecule.prd_id                       PRD_002485 
_pdbx_reference_molecule.name                         "Agrocin 84 (alpha-D-glucopyranose form)" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H34 N6 O16 P2" 
_pdbx_reference_molecule.formula_weight               688.473 
_pdbx_reference_molecule.chem_comp_id                 UKU 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             
;Conjugate contains alpha-D-glucose (GLC) and purine (ADE). The nucleoside core, which is essential for toxicity, contains 3'-deoxyarabinose rather than ribose.
;
_pdbx_reference_molecule.description                  "unusual glycan purine conjugate (containing GLC and ADE)" 
_pdbx_reference_molecule.representative_PDB_id_code   8CAW 
# 
_pdbx_reference_entity_list.prd_id          PRD_002485 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            non-polymer 
_pdbx_reference_entity_list.details         UKU 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002485 
_pdbx_reference_entity_nonpoly.ref_entity_id   1 
_pdbx_reference_entity_nonpoly.name            "[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-N-[9-[(2R,3S,5R)-5-[[[(2R,3S)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid" 
_pdbx_reference_entity_nonpoly.chem_comp_id    UKU 
_pdbx_reference_entity_nonpoly.details         ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002485 2023-06-06 PDBE "Create molecule" 
PRD_002485 2024-01-24 RCSB "Initial release" 
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Agrobacterium radiobacter K84" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002485 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 311403 
# 
data_PRD_002486
# 
_pdbx_reference_molecule.prd_id                       PRD_002486 
_pdbx_reference_molecule.name                         "Gallinamide A analog" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         ? 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        ? 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C49 H67 N5 O6" 
_pdbx_reference_molecule.formula_weight               822.086 
_pdbx_reference_molecule.chem_comp_id                 83E 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7S18 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002486 
_pdbx_reference_entity_subcomponents.seq            "O7G LEU LEU 83V 84H" 
_pdbx_reference_entity_subcomponents.chem_comp_id   83E 
# 
_pdbx_reference_entity_list.prd_id          PRD_002486 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002486 1 1 C   O7G 1 N LEU 2 SING 1 ? ? ? 
PRD_002486 1 2 C   LEU 2 N LEU 3 SING 1 ? ? ? 
PRD_002486 1 3 C   LEU 3 N 83V 4 SING 1 ? ? ? 
PRD_002486 1 4 C18 83V 4 N 84H 5 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002486 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002486 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002486 1 1 O7G VAL N Y 
PRD_002486 1 2 LEU LEU N Y 
PRD_002486 1 3 LEU LEU N Y 
PRD_002486 1 4 83V .   N Y 
PRD_002486 1 5 84H .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002486 2021-09-03 RCSB "Create molecule" 
PRD_002486 2022-03-02 RCSB "Initial release" 
# 
data_PRD_002487
# 
_pdbx_reference_molecule.prd_id                       PRD_002487 
_pdbx_reference_molecule.name                         "Gallinamide A analog" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         ? 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        ? 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C45 H64 N6 O6" 
_pdbx_reference_molecule.formula_weight               785.026 
_pdbx_reference_molecule.chem_comp_id                 83K 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7S19 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002487 
_pdbx_reference_entity_subcomponents.seq            "O7G LEU LEU 83V 84N" 
_pdbx_reference_entity_subcomponents.chem_comp_id   83K 
# 
_pdbx_reference_entity_list.prd_id          PRD_002487 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002487 1 1 C   O7G 1 N LEU 2 SING 1 ? ? ? 
PRD_002487 1 2 C   LEU 2 N LEU 3 SING 1 ? ? ? 
PRD_002487 1 3 C   LEU 3 N 83V 4 SING 1 ? ? ? 
PRD_002487 1 4 C14 83V 4 N 84N 5 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002487 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002487 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002487 1 1 O7G VAL N Y 
PRD_002487 1 2 LEU LEU N Y 
PRD_002487 1 3 LEU LEU N Y 
PRD_002487 1 4 83V .   N Y 
PRD_002487 1 5 84N .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002487 2021-09-03 RCSB "Create molecule"       
PRD_002487 2021-09-09 RCSB "Modify representation" 
PRD_002487 2022-03-02 RCSB "Initial release"       
# 
data_PRD_002489
# 
_pdbx_reference_molecule.prd_id                       PRD_002489 
_pdbx_reference_molecule.name                         "lipid II mimetic, LPATA" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C53 H85 N14 O16" 
_pdbx_reference_molecule.formula_weight               1174.326 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7T8Y 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002489 1 1 polymer . 
PRD_002489 2 2 polymer . 
# 
_pdbx_reference_entity_link.prd_id              PRD_002489 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PP 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    7 
_pdbx_reference_entity_link.comp_id_1           ALA 
_pdbx_reference_entity_link.atom_id_1           C 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    4 
_pdbx_reference_entity_link.comp_id_2           LYS 
_pdbx_reference_entity_link.atom_id_2           NZ 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             . 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002489 1 1  C BE2 1 N LEU 2 sing 1 ? ? ? 
PRD_002489 1 2  C LEU 2 N PRO 3 sing 1 ? ? ? 
PRD_002489 1 3  C PRO 3 N ALA 4 sing 1 ? ? ? 
PRD_002489 1 4  C ALA 4 N THR 5 sing 1 ? ? ? 
PRD_002489 1 5  C THR 5 N ALA 6 sing 1 ? ? ? 
PRD_002489 1 6  C ALA 6 N ALA 7 sing 1 ? ? ? 
PRD_002489 2 7  C ACE 1 N ALA 2 sing 2 ? ? ? 
PRD_002489 2 8  C ALA 2 N ZGL 3 sing 2 ? ? ? 
PRD_002489 2 9  C ZGL 3 N LYS 4 sing 2 ? ? ? 
PRD_002489 2 10 C LYS 4 N DAL 5 sing 2 ? ? ? 
PRD_002489 2 11 C DAL 5 N DAL 6 sing 2 ? ? ? 
# 
loop_
_pdbx_reference_entity_poly.prd_id 
_pdbx_reference_entity_poly.ref_entity_id 
_pdbx_reference_entity_poly.db_code 
_pdbx_reference_entity_poly.db_name 
_pdbx_reference_entity_poly.type 
PRD_002489 1 . . peptide-like 
PRD_002489 2 . . peptide-like 
# 
loop_
_pdbx_reference_entity_sequence.prd_id 
_pdbx_reference_entity_sequence.ref_entity_id 
_pdbx_reference_entity_sequence.type 
_pdbx_reference_entity_sequence.NRP_flag 
PRD_002489 1 peptide-like N 
PRD_002489 2 peptide-like N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002489 1 1 BE2 .   N Y 
PRD_002489 1 2 LEU LEU N Y 
PRD_002489 1 3 PRO PRO N Y 
PRD_002489 1 4 ALA ALA N Y 
PRD_002489 1 5 THR THR N Y 
PRD_002489 1 6 ALA ALA N Y 
PRD_002489 1 7 ALA ALA N Y 
PRD_002489 2 1 ACE .   N Y 
PRD_002489 2 2 ALA ALA N Y 
PRD_002489 2 3 ZGL .   N Y 
PRD_002489 2 4 LYS LYS N Y 
PRD_002489 2 5 DAL .   N Y 
PRD_002489 2 6 DAL .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002489 2021-12-23 .    "Create molecule"    
PRD_002489 2022-09-07 RCSB "Initial release"    
PRD_002489 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002490
# 
_pdbx_reference_molecule.prd_id                       PRD_002490 
_pdbx_reference_molecule.name                         Eptifibatide 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C35 H49 N11 O9 S2" 
_pdbx_reference_molecule.formula_weight               831.962 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7THO 
# 
_pdbx_reference_entity_list.prd_id          PRD_002490 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002490 1 1 C  MPT 1 N  HRG 2 sing 1 ? ? ? 
PRD_002490 1 2 SG MPT 1 SG CYS 7 sing 1 ? ? ? 
PRD_002490 1 3 C  HRG 2 N  GLY 3 sing 1 ? ? ? 
PRD_002490 1 4 C  GLY 3 N  ASP 4 sing 1 ? ? ? 
PRD_002490 1 5 C  ASP 4 N  TRP 5 sing 1 ? ? ? 
PRD_002490 1 6 C  TRP 5 N  PRO 6 sing 1 ? ? ? 
PRD_002490 1 7 C  PRO 6 N  CYS 7 sing 1 ? ? ? 
PRD_002490 1 8 C  CYS 7 N  NH2 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002490 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002490 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002490 1 1 MPT .   N Y 
PRD_002490 1 2 HRG ARG N Y 
PRD_002490 1 3 GLY GLY N Y 
PRD_002490 1 4 ASP ASP N Y 
PRD_002490 1 5 TRP TRP N Y 
PRD_002490 1 6 PRO PRO N Y 
PRD_002490 1 7 CYS CYS N Y 
PRD_002490 1 8 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002490 2022-01-12 .    "Create molecule" 
PRD_002490 2022-08-17 RCSB "Initial release" 
# 
data_PRD_002491
# 
_pdbx_reference_molecule.prd_id                       PRD_002491 
_pdbx_reference_molecule.name                         Sa-D2 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C88 H122 N19 O23 S2" 
_pdbx_reference_molecule.formula_weight               1878.154 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7TL7 
# 
_pdbx_reference_entity_list.prd_id          PRD_002491 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002491 1 1  C   ACE 1  N  DTY 2  sing 1 ? ? ? 
PRD_002491 1 2  CH3 ACE 1  SG CYS 11 sing 1 ? ? ? 
PRD_002491 1 3  C   DTY 2  N  ARG 3  sing 1 ? ? ? 
PRD_002491 1 4  C   ARG 3  N  TYR 4  sing 1 ? ? ? 
PRD_002491 1 5  C   TYR 4  N  GLU 5  sing 1 ? ? ? 
PRD_002491 1 6  C   GLU 5  N  YNM 6  sing 1 ? ? ? 
PRD_002491 1 7  C   YNM 6  N  TYR 7  sing 1 ? ? ? 
PRD_002491 1 8  C   TYR 7  N  LYS 8  sing 1 ? ? ? 
PRD_002491 1 9  C   LYS 8  N  YNM 9  sing 1 ? ? ? 
PRD_002491 1 10 C   YNM 9  N  GLU 10 sing 1 ? ? ? 
PRD_002491 1 11 C   GLU 10 N  CYS 11 sing 1 ? ? ? 
PRD_002491 1 12 C   CYS 11 N  PRO 12 sing 1 ? ? ? 
PRD_002491 1 13 C   PRO 12 N  LYS 13 sing 1 ? ? ? 
PRD_002491 1 14 C   LYS 13 N  CYS 14 sing 1 ? ? ? 
PRD_002491 1 15 C   CYS 14 N  NH2 15 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002491 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002491 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002491 1 1  ACE .   N Y 
PRD_002491 1 2  DTY .   N Y 
PRD_002491 1 3  ARG ARG N Y 
PRD_002491 1 4  TYR TYR N Y 
PRD_002491 1 5  GLU GLU N Y 
PRD_002491 1 6  YNM .   N Y 
PRD_002491 1 7  TYR TYR N Y 
PRD_002491 1 8  LYS LYS N Y 
PRD_002491 1 9  YNM .   N Y 
PRD_002491 1 10 GLU GLU N Y 
PRD_002491 1 11 CYS CYS N Y 
PRD_002491 1 12 PRO PRO N Y 
PRD_002491 1 13 LYS LYS N Y 
PRD_002491 1 14 CYS CYS N Y 
PRD_002491 1 15 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002491 2022-01-24 .    "Create molecule" 
PRD_002491 2022-08-10 RCSB "Initial release" 
# 
data_PRD_002492
# 
_pdbx_reference_molecule.prd_id                       PRD_002492 
_pdbx_reference_molecule.name                         Sa-D3 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C87 H110 N18 O24 S" 
_pdbx_reference_molecule.formula_weight               1823.975 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7TL8 
# 
_pdbx_reference_entity_list.prd_id          PRD_002492 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002492 1 1  C   ACE 1  N  DTY 2  sing 1 ? ? ? 
PRD_002492 1 2  CH3 ACE 1  SG CYS 15 sing 1 ? ? ? 
PRD_002492 1 3  C   DTY 2  N  GLN 3  sing 1 ? ? ? 
PRD_002492 1 4  C   GLN 3  N  VAL 4  sing 1 ? ? ? 
PRD_002492 1 5  C   VAL 4  N  THR 5  sing 1 ? ? ? 
PRD_002492 1 6  C   THR 5  N  VAL 6  sing 1 ? ? ? 
PRD_002492 1 7  C   VAL 6  N  TRP 7  sing 1 ? ? ? 
PRD_002492 1 8  C   TRP 7  N  TRP 8  sing 1 ? ? ? 
PRD_002492 1 9  C   TRP 8  N  ALA 9  sing 1 ? ? ? 
PRD_002492 1 10 C   ALA 9  N  5JP 10 sing 1 ? ? ? 
PRD_002492 1 11 C   5JP 10 N  PRO 11 sing 1 ? ? ? 
PRD_002492 1 12 C   PRO 11 N  TRP 12 sing 1 ? ? ? 
PRD_002492 1 13 C   TRP 12 N  GLU 13 sing 1 ? ? ? 
PRD_002492 1 14 C   GLU 13 N  ASP 14 sing 1 ? ? ? 
PRD_002492 1 15 C   ASP 14 N  CYS 15 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002492 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002492 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002492 1 1  ACE .   N Y 
PRD_002492 1 2  DTY .   N Y 
PRD_002492 1 3  GLN GLN N Y 
PRD_002492 1 4  VAL VAL N Y 
PRD_002492 1 5  THR THR N Y 
PRD_002492 1 6  VAL VAL N Y 
PRD_002492 1 7  TRP TRP N Y 
PRD_002492 1 8  TRP TRP N Y 
PRD_002492 1 9  ALA ALA N Y 
PRD_002492 1 10 5JP SER N Y 
PRD_002492 1 11 PRO PRO N Y 
PRD_002492 1 12 TRP TRP N Y 
PRD_002492 1 13 GLU GLU N Y 
PRD_002492 1 14 ASP ASP N Y 
PRD_002492 1 15 CYS CYS N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002492 2022-01-24 .    "Create molecule" 
PRD_002492 2022-08-10 RCSB "Initial release" 
# 
data_PRD_002495
# 
_pdbx_reference_molecule.prd_id                       PRD_002495 
_pdbx_reference_molecule.name                         GC376 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C21 H31 N3 O8 S" 
_pdbx_reference_molecule.formula_weight               485.551 
_pdbx_reference_molecule.chem_comp_id                 K36 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7TGR 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002495 
_pdbx_reference_entity_subcomponents.seq            "PHQ LEU 04F" 
_pdbx_reference_entity_subcomponents.chem_comp_id   K36 
# 
_pdbx_reference_entity_list.prd_id          PRD_002495 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002495 1 1 C9 PHQ 1 N   LEU 2 SING 1 ? ? ? 
PRD_002495 1 2 C  LEU 2 N19 04F 3 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002495 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002495 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002495 1 1 PHQ .   N Y 
PRD_002495 1 2 LEU LEU N Y 
PRD_002495 1 3 04F .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002495 2022-03-25 RCSB "Create molecule" 
PRD_002495 2022-05-04 RCSB "Initial release" 
# 
data_PRD_002496
# 
_pdbx_reference_molecule.prd_id                       PRD_002496 
_pdbx_reference_molecule.name                         evybactin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C64 H91 N21 O21" 
_pdbx_reference_molecule.formula_weight               1490.535 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7UGW 
# 
_pdbx_reference_entity_list.prd_id          PRD_002496 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002496 1 1  C   NLF 1  N  THR 2  sing 1 ? ? ? 
PRD_002496 1 2  C   THR 2  N  DAR 3  sing 1 ? ? ? 
PRD_002496 1 3  C   DAR 3  N  THR 4  sing 1 ? ? ? 
PRD_002496 1 4  C   THR 4  N  MHS 5  sing 1 ? ? ? 
PRD_002496 1 5  OG1 THR 4  CG IAS 12 sing 1 ? ? ? 
PRD_002496 1 6  C   MHS 5  N  IAS 6  sing 1 ? ? ? 
PRD_002496 1 7  CG  IAS 6  N  DSN 7  sing 1 ? ? ? 
PRD_002496 1 8  C   DSN 7  N  PHE 8  sing 1 ? ? ? 
PRD_002496 1 9  C   PHE 8  N  GLY 9  sing 1 ? ? ? 
PRD_002496 1 10 C   GLY 9  N  DAR 10 sing 1 ? ? ? 
PRD_002496 1 11 C   DAR 10 N  SER 11 sing 1 ? ? ? 
PRD_002496 1 12 C   SER 11 N  IAS 12 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002496 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002496 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002496 1 1  NLF TRP N Y 
PRD_002496 1 2  THR THR N Y 
PRD_002496 1 3  DAR .   N Y 
PRD_002496 1 4  THR THR N Y 
PRD_002496 1 5  MHS HIS N Y 
PRD_002496 1 6  IAS .   N Y 
PRD_002496 1 7  DSN .   N Y 
PRD_002496 1 8  PHE PHE N Y 
PRD_002496 1 9  GLY GLY N Y 
PRD_002496 1 10 DAR .   N Y 
PRD_002496 1 11 SER SER N Y 
PRD_002496 1 12 IAS .   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_002496 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1208607 
_pdbx_reference_entity_src_nat.organism_scientific   "Photorhabdus noenieputensis" 
_pdbx_reference_entity_src_nat.source                . 
_pdbx_reference_entity_src_nat.db_code               . 
_pdbx_reference_entity_src_nat.db_name               . 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002496 2022-04-06 RCSB "Create molecule" 
PRD_002496 2022-08-17 RCSB "Initial release" 
# 
data_PRD_002506
# 
_pdbx_reference_molecule.prd_id                       PRD_002506 
_pdbx_reference_molecule.name                         "Agrocinopine C-like (D-glucos-2-yl sucros-4-yl phosphate; alpha-D-glucose form)" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H33 O19 P" 
_pdbx_reference_molecule.formula_weight               584.417 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Isomer of Agrocinopine C. Agrocinopine C is a member of the class of agrocinopines that consists of sucrose and D-glucose joined via a phosphodiester linkage." 
_pdbx_reference_molecule.description                  "Phosphodiester of D-alpha-glucose (ALX) and sucrose (GLC-FRU)." 
_pdbx_reference_molecule.representative_PDB_id_code   8CH3 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002506 1 1 branched    .   
PRD_002506 2 2 non-polymer ALX 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002506 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            2-O-phosphono-alpha-D-glucopyranose 
_pdbx_reference_entity_nonpoly.chem_comp_id    ALX 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_link.prd_id              PRD_002506 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    1 
_pdbx_reference_entity_link.comp_id_1           GLC 
_pdbx_reference_entity_link.atom_id_1           O4 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    . 
_pdbx_reference_entity_link.comp_id_2           ALX 
_pdbx_reference_entity_link.atom_id_2           PAM 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             . 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_002506 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          C1 
_pdbx_reference_entity_poly_link.comp_id_1          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          O2 
_pdbx_reference_entity_poly_link.comp_id_2          FRU 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        sing 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002506 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002506 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002506 1 1 GLC . N Y 
PRD_002506 1 2 FRU . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002506 2023-12-03 PDBE "Create molecule" 
PRD_002506 2024-01-24 RCSB "Initial release" 
# 
data_PRD_002507
# 
_pdbx_reference_molecule.prd_id                       PRD_002507 
_pdbx_reference_molecule.name                         "Agrocinopine C-like (D-glucos-2-yl sucros-3-yl phosphate; alpha-D-glucose form)" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H33 O19 P" 
_pdbx_reference_molecule.formula_weight               584.417 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Isomer of Agrocinopine C. Agrocinopine C is a member of the class of agrocinopines that consists of sucrose and D-glucose joined via a phosphodiester linkage." 
_pdbx_reference_molecule.description                  "Phosphodiester of D-alpha-glucose (ALX) and sucrose (GLC-FRU)." 
_pdbx_reference_molecule.representative_PDB_id_code   8CKO 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002507 1 1 branched    .   
PRD_002507 2 2 non-polymer ALX 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002507 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            2-O-phosphono-alpha-D-glucopyranose 
_pdbx_reference_entity_nonpoly.chem_comp_id    ALX 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_link.prd_id              PRD_002507 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    1 
_pdbx_reference_entity_link.comp_id_1           GLC 
_pdbx_reference_entity_link.atom_id_1           O3 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    . 
_pdbx_reference_entity_link.comp_id_2           ALX 
_pdbx_reference_entity_link.atom_id_2           PAM 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             . 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_002507 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          C1 
_pdbx_reference_entity_poly_link.comp_id_1          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          O2 
_pdbx_reference_entity_poly_link.comp_id_2          FRU 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        sing 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002507 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002507 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002507 1 1 GLC . N Y 
PRD_002507 1 2 FRU . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002507 2023-12-03 PDBE "Create molecule" 
PRD_002507 2024-01-24 RCSB "Initial release" 
# 
data_PRD_002508
# 
_pdbx_reference_molecule.prd_id                       PRD_002508 
_pdbx_reference_molecule.name                         "Agrocinopine C-like (D-glucos-2-yl sucros-3-yl phosphate; beta-D-glucose form)" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H33 O19 P" 
_pdbx_reference_molecule.formula_weight               584.417 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Isomer of Agrocinopine C. Agrocinopine C is a member of the class of agrocinopines that consists of sucrose and D-glucose joined via a phosphodiester linkage." 
_pdbx_reference_molecule.description                  "Phosphodiester of D-beta-glucose (BNX) and sucrose (GLC-FRU)." 
_pdbx_reference_molecule.representative_PDB_id_code   8CKO 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002508 1 1 branched    .   
PRD_002508 2 2 non-polymer BNX 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002508 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            2-O-phosphono-beta-D-glucopyranose 
_pdbx_reference_entity_nonpoly.chem_comp_id    BNX 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_link.prd_id              PRD_002508 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    1 
_pdbx_reference_entity_link.comp_id_1           GLC 
_pdbx_reference_entity_link.atom_id_1           O3 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    . 
_pdbx_reference_entity_link.comp_id_2           BNX 
_pdbx_reference_entity_link.atom_id_2           PAM 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             . 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_002508 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          C1 
_pdbx_reference_entity_poly_link.comp_id_1          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          O2 
_pdbx_reference_entity_poly_link.comp_id_2          FRU 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        sing 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002508 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002508 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002508 1 1 GLC . N Y 
PRD_002508 1 2 FRU . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002508 2023-12-03 PDBE "Create molecule" 
PRD_002508 2024-01-24 RCSB "Initial release" 
# 
data_PRD_002509
# 
_pdbx_reference_molecule.prd_id                       PRD_002509 
_pdbx_reference_molecule.name                         Colistin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C52 H98 N16 O13" 
_pdbx_reference_molecule.formula_weight               1155.434 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8DEV 
# 
_pdbx_reference_entity_list.prd_id          PRD_002509 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002509 1 1  C02 RE6 1  N DAB 2  sing 1 ? ? ? 
PRD_002509 1 2  C   DAB 2  N THR 3  sing 1 ? ? ? 
PRD_002509 1 3  C   THR 3  N DAB 4  sing 1 ? ? ? 
PRD_002509 1 4  C   DAB 4  N DAB 5  sing 1 ? ? ? 
PRD_002509 1 5  C   DAB 5  N DAB 6  sing 1 ? ? ? 
PRD_002509 1 6  ND  DAB 5  C THR 11 sing 1 ? ? ? 
PRD_002509 1 7  C   DAB 6  N DLE 7  sing 1 ? ? ? 
PRD_002509 1 8  C   DLE 7  N LEU 8  sing 1 ? ? ? 
PRD_002509 1 9  C   LEU 8  N DAB 9  sing 1 ? ? ? 
PRD_002509 1 10 C   DAB 9  N DAB 10 sing 1 ? ? ? 
PRD_002509 1 11 C   DAB 10 N THR 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002509 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002509 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002509 1 1  RE6 .   N Y 
PRD_002509 1 2  DAB ALA N Y 
PRD_002509 1 3  THR THR N Y 
PRD_002509 1 4  DAB ALA N Y 
PRD_002509 1 5  DAB ALA N Y 
PRD_002509 1 6  DAB ALA N Y 
PRD_002509 1 7  DLE .   N Y 
PRD_002509 1 8  LEU LEU N Y 
PRD_002509 1 9  DAB ALA N Y 
PRD_002509 1 10 DAB ALA N Y 
PRD_002509 1 11 THR THR N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002509 2022-06-29 .    "Create molecule" 
PRD_002509 2022-09-14 RCSB "Initial release" 
# 
data_PRD_002510
# 
_pdbx_reference_molecule.prd_id                       PRD_002510 
_pdbx_reference_molecule.name                         "Minihepcidin PR73" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C86 H136 N21 O15 S" 
_pdbx_reference_molecule.formula_weight               1736.197 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8DL7 
# 
_pdbx_reference_entity_list.prd_id          PRD_002510 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002510 1 1  C SQ6 1  N THR 2  sing 1 ? ? ? 
PRD_002510 1 2  C THR 2  N HIS 3  sing 1 ? ? ? 
PRD_002510 1 3  C HIS 3  N 2GX 4  sing 1 ? ? ? 
PRD_002510 1 4  C 2GX 4  N EOE 5  sing 1 ? ? ? 
PRD_002510 1 5  C EOE 5  N ARG 6  sing 1 ? ? ? 
PRD_002510 1 6  C ARG 6  N CYS 7  sing 1 ? ? ? 
PRD_002510 1 7  C CYS 7  N ARG 8  sing 1 ? ? ? 
PRD_002510 1 8  C ARG 8  N 3FB 9  sing 1 ? ? ? 
PRD_002510 1 9  C 3FB 9  N ACA 10 sing 1 ? ? ? 
PRD_002510 1 10 C ACA 10 N SOW 11 sing 1 ? ? ? 
PRD_002510 1 11 C SOW 11 N SQI 12 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002510 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002510 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002510 1 1  SQ6 .   N Y 
PRD_002510 1 2  THR THR N Y 
PRD_002510 1 3  HIS HIS N Y 
PRD_002510 1 4  2GX PHE N Y 
PRD_002510 1 5  EOE .   N Y 
PRD_002510 1 6  ARG ARG N Y 
PRD_002510 1 7  CYS CYS N Y 
PRD_002510 1 8  ARG ARG N Y 
PRD_002510 1 9  3FB .   N Y 
PRD_002510 1 10 ACA .   N Y 
PRD_002510 1 11 SOW .   N Y 
PRD_002510 1 12 SQI .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002510 2022-07-07 .    "Create molecule"    
PRD_002510 2022-12-07 RCSB "Initial release"    
PRD_002510 2023-11-03 PDBE "Other modification" 
# 
data_PRD_002512
# 
_pdbx_reference_molecule.prd_id                       PRD_002512 
_pdbx_reference_molecule.name                         "all-D Helicon Polypeptide FP40914" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C92 H114 N20 O22 S2" 
_pdbx_reference_molecule.formula_weight               1916.140 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8F14 
# 
_pdbx_reference_entity_list.prd_id          PRD_002512 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002512 1 1  C ACE 1  N DPR 2  sing 1 ? ? ? 
PRD_002512 1 2  C DPR 2  N DTR 3  sing 1 ? ? ? 
PRD_002512 1 3  C DTR 3  N DGL 4  sing 1 ? ? ? 
PRD_002512 1 4  C DGL 4  N DAS 5  sing 1 ? ? ? 
PRD_002512 1 5  C DAS 5  N DCY 6  sing 1 ? ? ? 
PRD_002512 1 6  C DCY 6  N DAL 7  sing 1 ? ? ? 
PRD_002512 1 7  C DAL 7  N DTR 8  sing 1 ? ? ? 
PRD_002512 1 8  C DTR 8  N DPN 9  sing 1 ? ? ? 
PRD_002512 1 9  C DPN 9  N DAL 10 sing 1 ? ? ? 
PRD_002512 1 10 C DAL 10 N DTR 11 sing 1 ? ? ? 
PRD_002512 1 11 C DTR 11 N DAL 12 sing 1 ? ? ? 
PRD_002512 1 12 C DAL 12 N DCY 13 sing 1 ? ? ? 
PRD_002512 1 13 C DCY 13 N DTY 14 sing 1 ? ? ? 
PRD_002512 1 14 C DTY 14 N DSG 15 sing 1 ? ? ? 
PRD_002512 1 15 C DSG 15 N DIL 16 sing 1 ? ? ? 
PRD_002512 1 16 C DIL 16 N NH2 17 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002512 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002512 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002512 1 1  ACE . N N 
PRD_002512 1 2  DPR . N Y 
PRD_002512 1 3  DTR . N Y 
PRD_002512 1 4  DGL . N Y 
PRD_002512 1 5  DAS . N Y 
PRD_002512 1 6  DCY . N Y 
PRD_002512 1 7  DAL . N Y 
PRD_002512 1 8  DTR . N Y 
PRD_002512 1 9  DPN . N Y 
PRD_002512 1 10 DAL . N Y 
PRD_002512 1 11 DTR . N Y 
PRD_002512 1 12 DAL . N Y 
PRD_002512 1 13 DCY . N Y 
PRD_002512 1 14 DTY . N Y 
PRD_002512 1 15 DSG . N Y 
PRD_002512 1 16 DIL . N Y 
PRD_002512 1 17 NH2 . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002512 2022-11-08 RCSB "Create molecule" 
PRD_002512 2023-02-15 RCSB "Initial release" 
# 
data_PRD_002513
# 
_pdbx_reference_molecule.prd_id                       PRD_002513 
_pdbx_reference_molecule.name                         "all-D Helicon Polypeptide FP40926" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C86 H116 N22 O24 S3" 
_pdbx_reference_molecule.formula_weight               1938.169 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8F16 
# 
_pdbx_reference_entity_list.prd_id          PRD_002513 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002513 1 1  C ACE 1  N DPR 2  sing 1 ? ? ? 
PRD_002513 1 2  C DPR 2  N DHI 3  sing 1 ? ? ? 
PRD_002513 1 3  C DHI 3  N DGL 4  sing 1 ? ? ? 
PRD_002513 1 4  C DGL 4  N MED 5  sing 1 ? ? ? 
PRD_002513 1 5  C MED 5  N DCY 6  sing 1 ? ? ? 
PRD_002513 1 6  C DCY 6  N DTY 7  sing 1 ? ? ? 
PRD_002513 1 7  C DTY 7  N DTR 8  sing 1 ? ? ? 
PRD_002513 1 8  C DTR 8  N DAL 9  sing 1 ? ? ? 
PRD_002513 1 9  C DAL 9  N DAS 10 sing 1 ? ? ? 
PRD_002513 1 10 C DAS 10 N DAL 11 sing 1 ? ? ? 
PRD_002513 1 11 C DAL 11 N DTY 12 sing 1 ? ? ? 
PRD_002513 1 12 C DTY 12 N DCY 13 sing 1 ? ? ? 
PRD_002513 1 13 C DCY 13 N DAR 14 sing 1 ? ? ? 
PRD_002513 1 14 C DAR 14 N DTY 15 sing 1 ? ? ? 
PRD_002513 1 15 C DTY 15 N DSN 16 sing 1 ? ? ? 
PRD_002513 1 16 C DSN 16 N NH2 17 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002513 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002513 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002513 1 1  ACE . N N 
PRD_002513 1 2  DPR . N N 
PRD_002513 1 3  DHI . N Y 
PRD_002513 1 4  DGL . N Y 
PRD_002513 1 5  MED . N Y 
PRD_002513 1 6  DCY . N Y 
PRD_002513 1 7  DTY . N Y 
PRD_002513 1 8  DTR . N Y 
PRD_002513 1 9  DAL . N Y 
PRD_002513 1 10 DAS . N Y 
PRD_002513 1 11 DAL . N Y 
PRD_002513 1 12 DTY . N Y 
PRD_002513 1 13 DCY . N Y 
PRD_002513 1 14 DAR . N Y 
PRD_002513 1 15 DTY . N Y 
PRD_002513 1 16 DSN . N Y 
PRD_002513 1 17 NH2 . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002513 2022-11-08 .    "Create molecule" 
PRD_002513 2023-02-15 RCSB "Initial release" 
# 
data_PRD_002514
# 
_pdbx_reference_molecule.prd_id                       PRD_002514 
_pdbx_reference_molecule.name                         "an all-D Helicon Polypeptide FP40927" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C81 H122 N19 O21 S2" 
_pdbx_reference_molecule.formula_weight               1762.080 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8F17 
# 
_pdbx_reference_entity_list.prd_id          PRD_002514 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002514 1 1  C ACE 1  N DPR 2  sing 1 ? ? ? 
PRD_002514 1 2  C DPR 2  N DLE 3  sing 1 ? ? ? 
PRD_002514 1 3  C DLE 3  N DAS 4  sing 1 ? ? ? 
PRD_002514 1 4  C DAS 4  N DLE 5  sing 1 ? ? ? 
PRD_002514 1 5  C DLE 5  N DCY 6  sing 1 ? ? ? 
PRD_002514 1 6  C DCY 6  N DTY 7  sing 1 ? ? ? 
PRD_002514 1 7  C DTY 7  N DTR 8  sing 1 ? ? ? 
PRD_002514 1 8  C DTR 8  N DAL 9  sing 1 ? ? ? 
PRD_002514 1 9  C DAL 9  N DSN 10 sing 1 ? ? ? 
PRD_002514 1 10 C DSN 10 N DLE 11 sing 1 ? ? ? 
PRD_002514 1 11 C DLE 11 N DHI 12 sing 1 ? ? ? 
PRD_002514 1 12 C DHI 12 N DCY 13 sing 1 ? ? ? 
PRD_002514 1 13 C DCY 13 N DIL 14 sing 1 ? ? ? 
PRD_002514 1 14 C DIL 14 N DVA 15 sing 1 ? ? ? 
PRD_002514 1 15 C DVA 15 N DSN 16 sing 1 ? ? ? 
PRD_002514 1 16 C DSN 16 N NH2 17 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002514 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002514 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002514 1 1  ACE . N N 
PRD_002514 1 2  DPR . N Y 
PRD_002514 1 3  DLE . N Y 
PRD_002514 1 4  DAS . N Y 
PRD_002514 1 5  DLE . N Y 
PRD_002514 1 6  DCY . N Y 
PRD_002514 1 7  DTY . N Y 
PRD_002514 1 8  DTR . N Y 
PRD_002514 1 9  DAL . N Y 
PRD_002514 1 10 DSN . N Y 
PRD_002514 1 11 DLE . N Y 
PRD_002514 1 12 DHI . N Y 
PRD_002514 1 13 DCY . N Y 
PRD_002514 1 14 DIL . N Y 
PRD_002514 1 15 DVA . N Y 
PRD_002514 1 16 DSN . N Y 
PRD_002514 1 17 NH2 . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002514 2022-11-08 .    "Create molecule" 
PRD_002514 2023-02-15 RCSB "Initial release" 
# 
data_PRD_002515
# 
_pdbx_reference_molecule.prd_id                       PRD_002515 
_pdbx_reference_molecule.name                         "all-D Helicon Polypeptide FP40918" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C84 H115 N22 O26 S2" 
_pdbx_reference_molecule.formula_weight               1913.074 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8F15 
# 
_pdbx_reference_entity_list.prd_id          PRD_002515 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002515 1 1  C ACE 1  N DPR 2  sing 1 ? ? ? 
PRD_002515 1 2  C DPR 2  N DTR 3  sing 1 ? ? ? 
PRD_002515 1 3  C DTR 3  N DTR 4  sing 1 ? ? ? 
PRD_002515 1 4  C DTR 4  N DGL 5  sing 1 ? ? ? 
PRD_002515 1 5  C DGL 5  N DCY 6  sing 1 ? ? ? 
PRD_002515 1 6  C DCY 6  N DLE 7  sing 1 ? ? ? 
PRD_002515 1 7  C DLE 7  N DSN 8  sing 1 ? ? ? 
PRD_002515 1 8  C DSN 8  N DGN 9  sing 1 ? ? ? 
PRD_002515 1 9  C DGN 9  N DAL 10 sing 1 ? ? ? 
PRD_002515 1 10 C DAL 10 N DAS 11 sing 1 ? ? ? 
PRD_002515 1 11 C DAS 11 N DAS 12 sing 1 ? ? ? 
PRD_002515 1 12 C DAS 12 N DCY 13 sing 1 ? ? ? 
PRD_002515 1 13 C DCY 13 N DAS 14 sing 1 ? ? ? 
PRD_002515 1 14 C DAS 14 N DPN 15 sing 1 ? ? ? 
PRD_002515 1 15 C DPN 15 N DAR 16 sing 1 ? ? ? 
PRD_002515 1 16 C DAR 16 N NH2 17 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002515 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002515 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002515 1 1  ACE . N Y 
PRD_002515 1 2  DPR . N Y 
PRD_002515 1 3  DTR . N Y 
PRD_002515 1 4  DTR . N Y 
PRD_002515 1 5  DGL . N Y 
PRD_002515 1 6  DCY . N Y 
PRD_002515 1 7  DLE . N Y 
PRD_002515 1 8  DSN . N Y 
PRD_002515 1 9  DGN . N Y 
PRD_002515 1 10 DAL . N Y 
PRD_002515 1 11 DAS . N Y 
PRD_002515 1 12 DAS . N Y 
PRD_002515 1 13 DCY . N Y 
PRD_002515 1 14 DAS . N Y 
PRD_002515 1 15 DPN . N Y 
PRD_002515 1 16 DAR . N N 
PRD_002515 1 17 NH2 . N N 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002515 2022-11-08 .    "Create molecule" 
PRD_002515 2023-02-15 RCSB "Initial release" 
# 
data_PRD_002516
# 
_pdbx_reference_molecule.prd_id                       PRD_002516 
_pdbx_reference_molecule.name                         "cyclic peptide inhibitor 1 " 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C111 H132 N23 O30 S" 
_pdbx_reference_molecule.formula_weight               2300.437 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8F31 
# 
_pdbx_reference_entity_list.prd_id          PRD_002516 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002516 1 1  N  DTY 1  C   ACE 18 sing 1 ? ? ? 
PRD_002516 1 2  C  DTY 1  N   PHE 2  sing 1 ? ? ? 
PRD_002516 1 3  C  PHE 2  N   TRP 3  sing 1 ? ? ? 
PRD_002516 1 4  C  TRP 3  N   GLY 4  sing 1 ? ? ? 
PRD_002516 1 5  C  GLY 4  N   ASN 5  sing 1 ? ? ? 
PRD_002516 1 6  C  ASN 5  N   LEU 6  sing 1 ? ? ? 
PRD_002516 1 7  C  LEU 6  N   HIS 7  sing 1 ? ? ? 
PRD_002516 1 8  C  HIS 7  N   TRP 8  sing 1 ? ? ? 
PRD_002516 1 9  C  TRP 8  N   TYR 9  sing 1 ? ? ? 
PRD_002516 1 10 C  TYR 9  N   TYR 10 sing 1 ? ? ? 
PRD_002516 1 11 C  TYR 10 N   GLU 11 sing 1 ? ? ? 
PRD_002516 1 12 C  GLU 11 N   GLN 12 sing 1 ? ? ? 
PRD_002516 1 13 C  GLN 12 N   PHE 13 sing 1 ? ? ? 
PRD_002516 1 14 C  PHE 13 N   ASP 14 sing 1 ? ? ? 
PRD_002516 1 15 C  ASP 14 N   SER 15 sing 1 ? ? ? 
PRD_002516 1 16 C  SER 15 N   THR 16 sing 1 ? ? ? 
PRD_002516 1 17 C  THR 16 N   CYS 17 sing 1 ? ? ? 
PRD_002516 1 18 SG CYS 17 CH3 ACE 18 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002516 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002516 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002516 1 1  DTY .   N Y 
PRD_002516 1 2  PHE PHE N Y 
PRD_002516 1 3  TRP TRP N Y 
PRD_002516 1 4  GLY GLY N Y 
PRD_002516 1 5  ASN ASN N Y 
PRD_002516 1 6  LEU LEU N Y 
PRD_002516 1 7  HIS HIS N Y 
PRD_002516 1 8  TRP TRP N Y 
PRD_002516 1 9  TYR TYR N Y 
PRD_002516 1 10 TYR TYR N Y 
PRD_002516 1 11 GLU GLU N Y 
PRD_002516 1 12 GLN GLN N Y 
PRD_002516 1 13 PHE PHE N Y 
PRD_002516 1 14 ASP ASP N Y 
PRD_002516 1 15 SER SER N Y 
PRD_002516 1 16 THR THR N Y 
PRD_002516 1 17 CYS CYS N Y 
PRD_002516 1 18 ACE .   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_002516 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 32630 
_pdbx_reference_entity_src_nat.organism_scientific   "synthetic construct" 
_pdbx_reference_entity_src_nat.source                . 
_pdbx_reference_entity_src_nat.db_code               . 
_pdbx_reference_entity_src_nat.db_name               . 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002516 2022-11-09 .    "Create molecule" 
PRD_002516 2023-03-22 RCSB "Initial release" 
# 
data_PRD_002517
# 
_pdbx_reference_molecule.prd_id                       PRD_002517 
_pdbx_reference_molecule.name                         ? 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        ? 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C66 H84 N10 O17 S" 
_pdbx_reference_molecule.formula_weight               1321.495 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8FEG 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002517 1 1 polymer     .   
PRD_002517 2 2 non-polymer XT9 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002517 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            6beta-amino-17-propyl-5alpha,9alpha,13alpha-4,5-epoxymorphinan-3,14-diol 
_pdbx_reference_entity_nonpoly.chem_comp_id    XT9 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_link.prd_id              PRD_002517 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    9 
_pdbx_reference_entity_link.comp_id_1           DPN 
_pdbx_reference_entity_link.atom_id_1           C 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    . 
_pdbx_reference_entity_link.comp_id_2           XT9 
_pdbx_reference_entity_link.atom_id_2           N28 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             . 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002517 1 1 C   ACE 1 N  TYR 2 sing 1 ? ? ? 
PRD_002517 1 2 CH3 ACE 1 SG CYS 7 sing 1 ? ? ? 
PRD_002517 1 3 C   TYR 2 N  ALA 3 sing 1 ? ? ? 
PRD_002517 1 4 C   ALA 3 N  DTY 4 sing 1 ? ? ? 
PRD_002517 1 5 C   DTY 4 N  DTH 5 sing 1 ? ? ? 
PRD_002517 1 6 C   DTH 5 N  THR 6 sing 1 ? ? ? 
PRD_002517 1 7 C   THR 6 N  CYS 7 sing 1 ? ? ? 
PRD_002517 1 8 C   CYS 7 N  THR 8 sing 1 ? ? ? 
PRD_002517 1 9 C   THR 8 N  DPN 9 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002517 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002517 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002517 1 1 ACE .   N Y 
PRD_002517 1 2 TYR TYR N Y 
PRD_002517 1 3 ALA ALA N Y 
PRD_002517 1 4 DTY .   N Y 
PRD_002517 1 5 DTH .   N Y 
PRD_002517 1 6 THR THR N Y 
PRD_002517 1 7 CYS CYS N Y 
PRD_002517 1 8 THR THR N Y 
PRD_002517 1 9 DPN .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002517 2022-12-07 .    "Create molecule" 
PRD_002517 2023-12-06 RCSB "Initial release" 
# 
data_PRD_002519
# 
_pdbx_reference_molecule.prd_id                       PRD_002519 
_pdbx_reference_molecule.name                         "MCR-PHE-VAL-PRO-THR-THR-BIF-MAA-BIF-MAA-GLU-ALA-PRO-ALA-NEH inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C85 H110 N14 O18 S" 
_pdbx_reference_molecule.formula_weight               1647.931 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8FPQ 
# 
_pdbx_reference_entity_list.prd_id          PRD_002519 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002519 1 1  C  MCR 1  N  PHE 2  sing 1 ? ? ? 
PRD_002519 1 2  S2 MCR 1  CB ALA 14 sing 1 ? ? ? 
PRD_002519 1 3  C  PHE 2  N  VAL 3  sing 1 ? ? ? 
PRD_002519 1 4  C  VAL 3  N  PRO 4  sing 1 ? ? ? 
PRD_002519 1 5  C  PRO 4  N  THR 5  sing 1 ? ? ? 
PRD_002519 1 6  C  THR 5  N  THR 6  sing 1 ? ? ? 
PRD_002519 1 7  C  THR 6  N  BIF 7  sing 1 ? ? ? 
PRD_002519 1 8  C  BIF 7  N  MAA 8  sing 1 ? ? ? 
PRD_002519 1 9  C  MAA 8  N  BIF 9  sing 1 ? ? ? 
PRD_002519 1 10 C  BIF 9  N  MAA 10 sing 1 ? ? ? 
PRD_002519 1 11 C  MAA 10 N  GLU 11 sing 1 ? ? ? 
PRD_002519 1 12 C  GLU 11 N  ALA 12 sing 1 ? ? ? 
PRD_002519 1 13 C  ALA 12 N  PRO 13 sing 1 ? ? ? 
PRD_002519 1 14 C  PRO 13 N  ALA 14 sing 1 ? ? ? 
PRD_002519 1 15 C  ALA 14 N  NEH 15 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002519 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002519 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002519 1 1  MCR .   N Y 
PRD_002519 1 2  PHE PHE N Y 
PRD_002519 1 3  VAL VAL N Y 
PRD_002519 1 4  PRO PRO N Y 
PRD_002519 1 5  THR THR N Y 
PRD_002519 1 6  THR THR N Y 
PRD_002519 1 7  BIF PHE N Y 
PRD_002519 1 8  MAA ALA N Y 
PRD_002519 1 9  BIF PHE N Y 
PRD_002519 1 10 MAA ALA N Y 
PRD_002519 1 11 GLU GLU N Y 
PRD_002519 1 12 ALA ALA N Y 
PRD_002519 1 13 PRO PRO N Y 
PRD_002519 1 14 ALA ALA N Y 
PRD_002519 1 15 NEH .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002519 2023-01-20 .    "Create molecule"    
PRD_002519 2023-11-03 PDBE "Other modification" 
PRD_002519 2024-10-16 RCSB "Initial release"    
# 
data_PRD_002520
# 
_pdbx_reference_molecule.prd_id                       PRD_002520 
_pdbx_reference_molecule.name                         "ACE-PHE-VAL-DAB-THR-THR-PHE-MAA-BIF-YBR inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C62 H80 N10 O14" 
_pdbx_reference_molecule.formula_weight               1189.357 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8FVQ 
# 
_pdbx_reference_entity_list.prd_id          PRD_002520 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002520 1 1  C  ACE 1 N PHE 2  sing 1 ? ? ? 
PRD_002520 1 2  C  PHE 2 N VAL 3  sing 1 ? ? ? 
PRD_002520 1 3  C  VAL 3 N DAB 4  sing 1 ? ? ? 
PRD_002520 1 4  C  DAB 4 N THR 5  sing 1 ? ? ? 
PRD_002520 1 5  ND DAB 4 C YBR 10 sing 1 ? ? ? 
PRD_002520 1 6  C  THR 5 N THR 6  sing 1 ? ? ? 
PRD_002520 1 7  C  THR 6 N PHE 7  sing 1 ? ? ? 
PRD_002520 1 8  C  PHE 7 N MAA 8  sing 1 ? ? ? 
PRD_002520 1 9  C  MAA 8 N BIF 9  sing 1 ? ? ? 
PRD_002520 1 10 C  BIF 9 N YBR 10 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002520 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002520 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002520 1 1  ACE .   N Y 
PRD_002520 1 2  PHE PHE N Y 
PRD_002520 1 3  VAL VAL N Y 
PRD_002520 1 4  DAB ALA N Y 
PRD_002520 1 5  THR THR N Y 
PRD_002520 1 6  THR THR N Y 
PRD_002520 1 7  PHE PHE N Y 
PRD_002520 1 8  MAA ALA N Y 
PRD_002520 1 9  BIF PHE N Y 
PRD_002520 1 10 YBR .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002520 2023-01-23 RCSB "Create molecule" 
PRD_002520 2024-10-16 RCSB "Initial release" 
# 
data_PRD_002521
# 
_pdbx_reference_molecule.prd_id                       PRD_002521 
_pdbx_reference_molecule.name                         "YBX-YC3-VAL-PRO-THR-THR-PHE-MAA-CYS-MN1 inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C60 H81 N9 O13 S3" 
_pdbx_reference_molecule.formula_weight               1232.533 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8FVL 
# 
_pdbx_reference_entity_list.prd_id          PRD_002521 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002521 1 1  C5 YBX 1 N  YC3 2  sing 1 ? ? ? 
PRD_002521 1 2  C  YC3 2 N  VAL 3  sing 1 ? ? ? 
PRD_002521 1 3  S2 YC3 2 SG CYS 9  sing 1 ? ? ? 
PRD_002521 1 4  C  VAL 3 N  PRO 4  sing 1 ? ? ? 
PRD_002521 1 5  C  PRO 4 N  THR 5  sing 1 ? ? ? 
PRD_002521 1 6  C  THR 5 N  THR 6  sing 1 ? ? ? 
PRD_002521 1 7  C  THR 6 N  PHE 7  sing 1 ? ? ? 
PRD_002521 1 8  C  PHE 7 N  MAA 8  sing 1 ? ? ? 
PRD_002521 1 9  C  MAA 8 N  CYS 9  sing 1 ? ? ? 
PRD_002521 1 10 C  CYS 9 N  MN1 10 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002521 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002521 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002521 1 1  YBX .   N Y 
PRD_002521 1 2  YC3 PHE N Y 
PRD_002521 1 3  VAL VAL N Y 
PRD_002521 1 4  PRO PRO N Y 
PRD_002521 1 5  THR THR N Y 
PRD_002521 1 6  THR THR N Y 
PRD_002521 1 7  PHE PHE N Y 
PRD_002521 1 8  MAA ALA N Y 
PRD_002521 1 9  CYS CYS N Y 
PRD_002521 1 10 MN1 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002521 2023-01-23 RCSB "Create molecule"    
PRD_002521 2023-11-03 PDBE "Other modification" 
PRD_002521 2024-10-16 RCSB "Initial release"    
# 
data_PRD_002523
# 
_pdbx_reference_molecule.prd_id                       PRD_002523 
_pdbx_reference_molecule.name                         "MCR-ALO-MAA-ALA-MAA-NLE-7T2-SER-7T2-ALA-NH2 inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C49 H70 Cl2 N10 O12 S" 
_pdbx_reference_molecule.formula_weight               1094.111 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8FVN 
# 
_pdbx_reference_entity_list.prd_id          PRD_002523 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002523 1 1  C  MCR 1  N  ALO 2  sing 1 ? ? ? 
PRD_002523 1 2  S2 MCR 1  CB ALA 10 sing 1 ? ? ? 
PRD_002523 1 3  C  ALO 2  N  MAA 3  sing 1 ? ? ? 
PRD_002523 1 4  C  MAA 3  N  ALA 4  sing 1 ? ? ? 
PRD_002523 1 5  C  ALA 4  N  MAA 5  sing 1 ? ? ? 
PRD_002523 1 6  C  MAA 5  N  NLE 6  sing 1 ? ? ? 
PRD_002523 1 7  C  NLE 6  N  7T2 7  sing 1 ? ? ? 
PRD_002523 1 8  C  7T2 7  N  SER 8  sing 1 ? ? ? 
PRD_002523 1 9  C  SER 8  N  7T2 9  sing 1 ? ? ? 
PRD_002523 1 10 C  7T2 9  N  ALA 10 sing 1 ? ? ? 
PRD_002523 1 11 C  ALA 10 N  NH2 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002523 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002523 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002523 1 1  MCR .   N Y 
PRD_002523 1 2  ALO THR N Y 
PRD_002523 1 3  MAA ALA N Y 
PRD_002523 1 4  ALA ALA N Y 
PRD_002523 1 5  MAA ALA N Y 
PRD_002523 1 6  NLE LEU N Y 
PRD_002523 1 7  7T2 PHE N Y 
PRD_002523 1 8  SER SER N Y 
PRD_002523 1 9  7T2 PHE N Y 
PRD_002523 1 10 ALA ALA N Y 
PRD_002523 1 11 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002523 2023-01-24 RCSB "Create molecule"    
PRD_002523 2023-11-03 PDBE "Other modification" 
PRD_002523 2024-10-16 RCSB "Initial release"    
# 
data_PRD_002525
# 
_pdbx_reference_molecule.prd_id                       PRD_002525 
_pdbx_reference_molecule.name                         "PPI-YD5-NLE-7T2-SER-7T2-DPP-GLY-NH2 inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C43 H59 Cl2 N9 O10" 
_pdbx_reference_molecule.formula_weight               932.889 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8FVP 
# 
_pdbx_reference_entity_list.prd_id          PRD_002525 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002525 1 1 C1 PPI 1 N  YD5 2 sing 1 ? ? ? 
PRD_002525 1 2 C  YD5 2 N  NLE 3 sing 1 ? ? ? 
PRD_002525 1 3 C4 YD5 2 NG DPP 7 sing 1 ? ? ? 
PRD_002525 1 4 C  NLE 3 N  7T2 4 sing 1 ? ? ? 
PRD_002525 1 5 C  7T2 4 N  SER 5 sing 1 ? ? ? 
PRD_002525 1 6 C  SER 5 N  7T2 6 sing 1 ? ? ? 
PRD_002525 1 7 C  7T2 6 N  DPP 7 sing 1 ? ? ? 
PRD_002525 1 8 C  DPP 7 N  GLY 8 sing 1 ? ? ? 
PRD_002525 1 9 C  GLY 8 N  NH2 9 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002525 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002525 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002525 1 1 PPI .   N Y 
PRD_002525 1 2 YD5 .   N Y 
PRD_002525 1 3 NLE LEU N Y 
PRD_002525 1 4 7T2 PHE N Y 
PRD_002525 1 5 SER SER N Y 
PRD_002525 1 6 7T2 PHE N Y 
PRD_002525 1 7 DPP ALA N Y 
PRD_002525 1 8 GLY GLY N Y 
PRD_002525 1 9 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002525 2023-01-25 RCSB "Create molecule" 
PRD_002525 2024-10-16 RCSB "Initial release" 
# 
data_PRD_002526
# 
_pdbx_reference_molecule.prd_id                       PRD_002526 
_pdbx_reference_molecule.name                         "DFFR-chloromethyl ketone inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H34 N6 O3" 
_pdbx_reference_molecule.formula_weight               466.576 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3E0N 
# 
_pdbx_reference_entity_list.prd_id          PRD_002526 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002526 1 1 C DPN 1 N PHE 2 sing 1 ? ? ? 
PRD_002526 1 2 C PHE 2 N ARM 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002526 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002526 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002526 1 1 DPN .   N Y 
PRD_002526 1 2 PHE PHE N Y 
PRD_002526 1 3 ARM ARG N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002526 2023-02-08 .    "Create molecule" 
PRD_002526 2023-02-22 RCSB "Initial release" 
# 
data_PRD_002527
# 
_pdbx_reference_molecule.prd_id                       PRD_002527 
_pdbx_reference_molecule.name                         "Intermediate for maxamycins synthesis" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Unknown 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C84 H114 Cl2 N8 O17 S Si2" 
_pdbx_reference_molecule.formula_weight               1666.989 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8GJV 
# 
_pdbx_reference_entity_list.prd_id          PRD_002527 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002527 1 1  C  BOC 1 N   MLU 2 sing 1 ? ? ? 
PRD_002527 1 2  C  MLU 2 N   ZTG 3 sing 1 ? ? ? 
PRD_002527 1 3  C  ZTG 3 N   ZTK 4 sing 1 ? ? ? 
PRD_002527 1 4  OH ZTG 3 C5  ZT9 5 sing 1 ? ? ? 
PRD_002527 1 5  C  ZTK 4 N   ZT9 5 sing 1 ? ? ? 
PRD_002527 1 6  C  ZT9 5 N   ZSX 6 sing 1 ? ? ? 
PRD_002527 1 7  C3 ZT9 5 OH  ZT6 7 sing 1 ? ? ? 
PRD_002527 1 8  C  ZSX 6 N   ZT6 7 sing 1 ? ? ? 
PRD_002527 1 9  C3 ZSX 6 CG1 ZTC 8 sing 1 ? ? ? 
PRD_002527 1 10 C  ZT6 7 N   ZTC 8 sing 1 ? ? ? 
PRD_002527 1 11 C  ZTC 8 O   TBU 9 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002527 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002527 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002527 1 1 BOC .   N Y 
PRD_002527 1 2 MLU .   N Y 
PRD_002527 1 3 ZTG .   N Y 
PRD_002527 1 4 ZTK ALA N Y 
PRD_002527 1 5 ZT9 .   N Y 
PRD_002527 1 6 ZSX GLY N Y 
PRD_002527 1 7 ZT6 TYR N Y 
PRD_002527 1 8 ZTC .   N Y 
PRD_002527 1 9 TBU .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002527 2023-03-30 .    "Create molecule" 
PRD_002527 2023-07-05 RCSB "Initial release" 
# 
data_PRD_002528
# 
_pdbx_reference_molecule.prd_id                       PRD_002528 
_pdbx_reference_molecule.name                         142D6 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H37 F N4 O6 S" 
_pdbx_reference_molecule.formula_weight               552.659 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "Lys-covalent pan-IAP inhibitor" 
_pdbx_reference_molecule.representative_PDB_id_code   8GH7 
# 
_pdbx_reference_entity_list.prd_id          PRD_002528 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002528 1 1 C MAA 1 N   CHG 2 sing 1 ? ? ? 
PRD_002528 1 2 C CHG 2 N   PRO 3 sing 1 ? ? ? 
PRD_002528 1 3 C PRO 3 N09 ZHW 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002528 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002528 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002528 1 1 MAA ALA N Y 
PRD_002528 1 2 CHG .   N Y 
PRD_002528 1 3 PRO PRO N Y 
PRD_002528 1 4 ZHW .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002528 2023-07-06 .    "Create molecule" 
PRD_002528 2023-07-12 RCSB "Initial release" 
# 
data_PRD_002532
# 
_pdbx_reference_molecule.prd_id                       PRD_002532 
_pdbx_reference_molecule.name                         N-Methyl-D-Gln4,Lys10-teixobactin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C59 H100 N13 O15" 
_pdbx_reference_molecule.formula_weight               1231.503 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8U78 
# 
_pdbx_reference_entity_list.prd_id          PRD_002532 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002532 1 1  C   ZAE 1  N ILE 2  sing 1 ? ? ? 
PRD_002532 1 2  C   ILE 2  N SER 3  sing 1 ? ? ? 
PRD_002532 1 3  C   SER 3  N HJV 4  sing 1 ? ? ? 
PRD_002532 1 4  C   HJV 4  N 28J 5  sing 1 ? ? ? 
PRD_002532 1 5  C   28J 5  N ILE 6  sing 1 ? ? ? 
PRD_002532 1 6  C   ILE 6  N SER 7  sing 1 ? ? ? 
PRD_002532 1 7  C   SER 7  N DTH 8  sing 1 ? ? ? 
PRD_002532 1 8  C   DTH 8  N ALA 9  sing 1 ? ? ? 
PRD_002532 1 9  OG1 DTH 8  C ILE 11 sing 1 ? ? ? 
PRD_002532 1 10 C   ALA 9  N LYS 10 sing 1 ? ? ? 
PRD_002532 1 11 C   LYS 10 N ILE 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002532 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002532 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002532 1 1  ZAE .   N Y 
PRD_002532 1 2  ILE ILE N Y 
PRD_002532 1 3  SER SER N Y 
PRD_002532 1 4  HJV .   N Y 
PRD_002532 1 5  28J .   N Y 
PRD_002532 1 6  ILE ILE N Y 
PRD_002532 1 7  SER SER N Y 
PRD_002532 1 8  DTH .   N Y 
PRD_002532 1 9  ALA ALA N Y 
PRD_002532 1 10 LYS LYS N Y 
PRD_002532 1 11 ILE ILE N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002532 2023-09-15 RCSB "Create molecule" 
PRD_002532 2024-03-06 RCSB "Initial release" 
# 
data_PRD_002533
# 
_pdbx_reference_molecule.prd_id                       PRD_002533 
_pdbx_reference_molecule.name                         "Deacylated Microviridin J" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C67 H97 N17 O20" 
_pdbx_reference_molecule.formula_weight               1460.589 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8UO7 
# 
_pdbx_reference_entity_list.prd_id          PRD_002533 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002533 1 1  C   ILE 1  N  SER 2  sing 1 ? ? ? 
PRD_002533 1 2  C   SER 2  N  THR 3  sing 1 ? ? ? 
PRD_002533 1 3  C   THR 3  N  ARG 4  sing 1 ? ? ? 
PRD_002533 1 4  OG1 THR 3  CG ASP 9  sing 1 ? ? ? 
PRD_002533 1 5  C   ARG 4  N  LYS 5  sing 1 ? ? ? 
PRD_002533 1 6  C   LYS 5  N  TYR 6  sing 1 ? ? ? 
PRD_002533 1 7  NZ  LYS 5  CD GLU 12 sing 1 ? ? ? 
PRD_002533 1 8  C   TYR 6  N  PRO 7  sing 1 ? ? ? 
PRD_002533 1 9  C   PRO 7  N  SER 8  sing 1 ? ? ? 
PRD_002533 1 10 C   SER 8  N  ASP 9  sing 1 ? ? ? 
PRD_002533 1 11 OG  SER 8  CD GLU 11 sing 1 ? ? ? 
PRD_002533 1 12 C   ASP 9  N  TRP 10 sing 1 ? ? ? 
PRD_002533 1 13 C   TRP 10 N  GLU 11 sing 1 ? ? ? 
PRD_002533 1 14 C   GLU 11 N  GLU 12 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002533 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002533 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002533 1 1  ILE ILE N Y 
PRD_002533 1 2  SER SER N Y 
PRD_002533 1 3  THR THR N Y 
PRD_002533 1 4  ARG ARG N Y 
PRD_002533 1 5  LYS LYS N Y 
PRD_002533 1 6  TYR TYR N Y 
PRD_002533 1 7  PRO PRO N Y 
PRD_002533 1 8  SER SER N Y 
PRD_002533 1 9  ASP ASP N Y 
PRD_002533 1 10 TRP TRP N Y 
PRD_002533 1 11 GLU GLU N Y 
PRD_002533 1 12 GLU GLU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002533 2023-10-20 RCSB "Create molecule" 
PRD_002533 2024-02-14 RCSB "Initial release" 
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Microcystis aeruginosa MRC" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002533 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 507735 
# 
data_PRD_002534
# 
_pdbx_reference_molecule.prd_id                       PRD_002534 
_pdbx_reference_molecule.name                         "Inhibitor YBX-PHE-VAL-GLY-THR-THR-PHA-MAA-BIF-EME-NEH" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C64 H84 N10 O14 S" 
_pdbx_reference_molecule.formula_weight               1249.475 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8VDV 
# 
_pdbx_reference_entity_list.prd_id          PRD_002534 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002534 1 1  C5 YBX 1  N  PHE 2  sing 1 ? ? ? 
PRD_002534 1 2  C  PHE 2  N  VAL 3  sing 1 ? ? ? 
PRD_002534 1 3  C  VAL 3  N  GLY 4  sing 1 ? ? ? 
PRD_002534 1 4  CA GLY 4  CB NEH 11 sing 1 ? ? ? 
PRD_002534 1 5  C  GLY 4  N  THR 5  sing 1 ? ? ? 
PRD_002534 1 6  C  THR 5  N  THR 6  sing 1 ? ? ? 
PRD_002534 1 7  C  THR 6  N  PHA 7  sing 1 ? ? ? 
PRD_002534 1 8  C  PHA 7  N  MAA 8  sing 1 ? ? ? 
PRD_002534 1 9  C  MAA 8  N  BIF 9  sing 1 ? ? ? 
PRD_002534 1 10 C  BIF 9  N  EME 10 sing 1 ? ? ? 
PRD_002534 1 11 C  EME 10 N  NEH 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002534 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002534 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002534 1 1  YBX .   N Y 
PRD_002534 1 2  PHE PHE N Y 
PRD_002534 1 3  VAL VAL N Y 
PRD_002534 1 4  GLY GLY N Y 
PRD_002534 1 5  THR THR N Y 
PRD_002534 1 6  THR THR N Y 
PRD_002534 1 7  PHA PHE N Y 
PRD_002534 1 8  MAA ALA N Y 
PRD_002534 1 9  BIF PHE N Y 
PRD_002534 1 10 EME GLU N Y 
PRD_002534 1 11 NEH .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002534 2023-12-19 RCSB "Create molecule" 
PRD_002534 2025-03-26 RCSB "Initial release" 
# 
data_PRD_002539
# 
_pdbx_reference_molecule.prd_id                       PRD_002539 
_pdbx_reference_molecule.name                         "[FIP-HRC]2-PEG11" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H29 N3 O6" 
_pdbx_reference_molecule.formula_weight               503.546 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   9COF 
# 
_pdbx_reference_entity_list.prd_id          PRD_002539 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002539 1 1 C19 P6S 1 N PHE 2 sing 1 . . . 
PRD_002539 1 2 C   PHE 2 N PHE 3 sing 1 . . . 
PRD_002539 1 3 C   PHE 3 N GLY 4 sing 1 . . . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002539 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002539 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002539 1 1 P6S .   N Y 
PRD_002539 1 2 PHE PHE N Y 
PRD_002539 1 3 PHE PHE N Y 
PRD_002539 1 4 GLY GLY N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002539 2024-07-18 RCSB "Create molecule" 
PRD_002539 2024-07-24 RCSB "Initial release" 
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "synthetic construct" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002539 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 32630 
# 
data_PRD_002540
# 
_pdbx_reference_molecule.prd_id                       PRD_002540 
_pdbx_reference_molecule.name                         evybactin 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C64 H91 N21 O21" 
_pdbx_reference_molecule.formula_weight               1490.535 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   7UGW 
# 
_pdbx_reference_entity_list.prd_id          PRD_002540 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002540 1 1  C   NLF   1  N  THR   2  sing 1 . . . 
PRD_002540 1 2  C   THR   2  N  DAR   3  sing 1 . . . 
PRD_002540 1 3  C   DAR   3  N  THR   4  sing 1 . . . 
PRD_002540 1 4  C   THR   4  N  A1AZ2 5  sing 1 . . . 
PRD_002540 1 5  OG1 THR   4  CG IAS   12 sing 1 . . . 
PRD_002540 1 6  C   A1AZ2 5  N  IAS   6  sing 1 . . . 
PRD_002540 1 7  CG  IAS   6  N  DSN   7  sing 1 . . . 
PRD_002540 1 8  C   DSN   7  N  PHE   8  sing 1 . . . 
PRD_002540 1 9  C   PHE   8  N  GLY   9  sing 1 . . . 
PRD_002540 1 10 C   GLY   9  N  DAR   10 sing 1 . . . 
PRD_002540 1 11 C   DAR   10 N  SER   11 sing 1 . . . 
PRD_002540 1 12 C   SER   11 N  IAS   12 sing 1 . . . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002540 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002540 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002540 1 1  NLF   TRP N Y 
PRD_002540 1 2  THR   THR N Y 
PRD_002540 1 3  DAR   .   N Y 
PRD_002540 1 4  THR   THR N Y 
PRD_002540 1 5  A1AZ2 HIS N Y 
PRD_002540 1 6  IAS   .   N Y 
PRD_002540 1 7  DSN   .   N Y 
PRD_002540 1 8  PHE   PHE N Y 
PRD_002540 1 9  GLY   GLY N Y 
PRD_002540 1 10 DAR   .   N Y 
PRD_002540 1 11 SER   SER N Y 
PRD_002540 1 12 IAS   .   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_002540 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1208607 
_pdbx_reference_entity_src_nat.organism_scientific   "Photorhabdus noenieputensis" 
_pdbx_reference_entity_src_nat.source                . 
_pdbx_reference_entity_src_nat.db_code               . 
_pdbx_reference_entity_src_nat.db_name               . 
_pdbx_reference_entity_src_nat.strain                . 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002540 2024-07-25 RCSB "Create molecule" 
PRD_002540 2024-10-02 RCSB "Initial release" 
# 
data_PRD_002546
# 
_pdbx_reference_molecule.prd_id                       PRD_002546 
_pdbx_reference_molecule.name                         "NOSO-95179 antibiotic" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Antibiotic, Antimicrobial" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C43 H79 N18 O11" 
_pdbx_reference_molecule.formula_weight               1024.201 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6CAE 
# 
_pdbx_reference_entity_list.prd_id          PRD_002546 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002546 1 1 C LYS 1 N EUP 2 sing 1 . . . 
PRD_002546 1 2 C EUP 2 N ALA 3 sing 1 . . . 
PRD_002546 1 3 C ALA 3 N GLY 4 sing 1 . . . 
PRD_002546 1 4 C GLY 4 N ORD 5 sing 1 . . . 
PRD_002546 1 5 C ORD 5 N PRO 6 sing 1 . . . 
PRD_002546 1 6 C PRO 6 N HIS 7 sing 1 . . . 
PRD_002546 1 7 C HIS 7 N LYS 8 sing 1 . . . 
PRD_002546 1 8 C LYS 8 N IAR 9 sing 1 . . . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002546 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002546 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002546 1 1 LYS LYS N Y 
PRD_002546 1 2 EUP THR N Y 
PRD_002546 1 3 ALA ALA N Y 
PRD_002546 1 4 GLY GLY N Y 
PRD_002546 1 5 ORD .   N Y 
PRD_002546 1 6 PRO PRO N Y 
PRD_002546 1 7 HIS HIS N Y 
PRD_002546 1 8 LYS LYS N Y 
PRD_002546 1 9 IAR ARG N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002546 2024-09-26 .    "Create molecule" 
PRD_002546 2024-10-09 RCSB "Initial release" 
# 
data_PRD_002547
# 
_pdbx_reference_molecule.prd_id                       PRD_002547 
_pdbx_reference_molecule.name                         "Agrocinopine C-like (D-glucos-2-yl sucros-1-yl phosphate; alpha-D-glucose form)" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H33 O19 P" 
_pdbx_reference_molecule.formula_weight               584.417 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Isomer of Agrocinopine C. Agrocinopine C is a member of the class of agrocinopines that consists of sucrose and D-glucose joined via a phosphodiester linkage." 
_pdbx_reference_molecule.description                  "Phosphodiester of D-alpha-glucose (ALX) and sucrose (GLC-FRU)." 
_pdbx_reference_molecule.representative_PDB_id_code   8CDO 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002547 1 1 branched    .   
PRD_002547 2 2 non-polymer ALX 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002547 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            2-O-phosphono-alpha-D-glucopyranose 
_pdbx_reference_entity_nonpoly.chem_comp_id    ALX 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_link.prd_id              PRD_002547 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    2 
_pdbx_reference_entity_link.comp_id_1           FRU 
_pdbx_reference_entity_link.atom_id_1           O1 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    . 
_pdbx_reference_entity_link.comp_id_2           ALX 
_pdbx_reference_entity_link.atom_id_2           PAM 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             . 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_002547 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O1 
_pdbx_reference_entity_poly_link.comp_id_1          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C2 
_pdbx_reference_entity_poly_link.comp_id_2          FRU 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        sing 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002547 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002547 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002547 1 1 GLC . N Y 
PRD_002547 1 2 FRU . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002547 2023-12-05 PDBE "Create molecule" 
PRD_002547 2024-01-24 RCSB "Initial release" 
# 
data_PRD_002548
# 
_pdbx_reference_molecule.prd_id                       PRD_002548 
_pdbx_reference_molecule.name                         "Agrocinopine C-like (D-glucos-2-yl sucros-1-yl phosphate; beta-D-glucose form)" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H33 O19 P" 
_pdbx_reference_molecule.formula_weight               584.417 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Isomer of Agrocinopine C. Agrocinopine C is a member of the class of agrocinopines that consists of sucrose and D-glucose joined via a phosphodiester linkage." 
_pdbx_reference_molecule.description                  "Phosphodiester of D-beta-glucose (BNX) and sucrose (GLC-FRU)." 
_pdbx_reference_molecule.representative_PDB_id_code   8CDO 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002548 1 1 branched    .   
PRD_002548 2 2 non-polymer BNX 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002548 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            2-O-phosphono-beta-D-glucopyranose 
_pdbx_reference_entity_nonpoly.chem_comp_id    BNX 
_pdbx_reference_entity_nonpoly.details         ? 
# 
_pdbx_reference_entity_link.prd_id              PRD_002548 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    2 
_pdbx_reference_entity_link.comp_id_1           FRU 
_pdbx_reference_entity_link.atom_id_1           O1 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    . 
_pdbx_reference_entity_link.comp_id_2           BNX 
_pdbx_reference_entity_link.atom_id_2           PAM 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             . 
_pdbx_reference_entity_link.nonpoly_res_num_1   ? 
_pdbx_reference_entity_link.nonpoly_res_num_2   ? 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_002548 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O1 
_pdbx_reference_entity_poly_link.comp_id_1          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C2 
_pdbx_reference_entity_poly_link.comp_id_2          FRU 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        sing 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002548 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002548 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002548 1 1 GLC . N Y 
PRD_002548 1 2 FRU . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002548 2023-12-05 PDBE "Create molecule" 
PRD_002548 2024-01-24 RCSB "Initial release" 
# 
data_PRD_002551
# 
_pdbx_reference_molecule.prd_id                       PRD_002551 
_pdbx_reference_molecule.name                         Alisporivir 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C63 H113 N11 O12" 
_pdbx_reference_molecule.formula_weight               1216.638 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Alisporivir inhibits cyclophilin A, potentially useful treatment of Hepatitis C, and not immunosuppressive." 
_pdbx_reference_molecule.description                  "Analogue of cyclosporine A. It is a cyclic undecapeptide. Cyclization is achieved by linking the N- and the C- termini." 
_pdbx_reference_molecule.representative_PDB_id_code   8R7T 
# 
_pdbx_reference_entity_list.prd_id          PRD_002551 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002551 1 1  C DAL 1  N MLE 2  sing 1 ? ? ? 
PRD_002551 1 2  N DAL 1  C ALA 11 sing 1 ? ? ? 
PRD_002551 1 3  C MLE 2  N MLE 3  sing 1 ? ? ? 
PRD_002551 1 4  C MLE 3  N MVA 4  sing 1 ? ? ? 
PRD_002551 1 5  C MVA 4  N BMT 5  sing 1 ? ? ? 
PRD_002551 1 6  C BMT 5  N ABA 6  sing 1 ? ? ? 
PRD_002551 1 7  C ABA 6  N 33X 7  sing 1 ? ? ? 
PRD_002551 1 8  C 33X 7  N 66E 8  sing 1 ? ? ? 
PRD_002551 1 9  C 66E 8  N VAL 9  sing 1 ? ? ? 
PRD_002551 1 10 C VAL 9  N MLE 10 sing 1 ? ? ? 
PRD_002551 1 11 C MLE 10 N ALA 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002551 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002551 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002551 1 1  DAL .   N Y 
PRD_002551 1 2  MLE LEU N Y 
PRD_002551 1 3  MLE LEU N Y 
PRD_002551 1 4  MVA VAL N Y 
PRD_002551 1 5  BMT THR N Y 
PRD_002551 1 6  ABA ALA N Y 
PRD_002551 1 7  33X .   N Y 
PRD_002551 1 8  66E .   N Y 
PRD_002551 1 9  VAL VAL N Y 
PRD_002551 1 10 MLE LEU N Y 
PRD_002551 1 11 ALA ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002551 2023-12-11 PDBE "Create molecule"    
PRD_002551 2023-12-22 PDBE "Other modification" 
PRD_002551 2024-10-30 RCSB "Initial release"    
# 
data_PRD_002553
# 
_pdbx_reference_molecule.prd_id                       PRD_002553 
_pdbx_reference_molecule.name                         "Dihydrocyclosporin A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C62 H113 N11 O12" 
_pdbx_reference_molecule.formula_weight               1204.627 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Dihydrocyclosporin A, is a derivative of cyclosporin A that is not immunosuppressive. It has been shown to inhibit growth of Leishmania donovani." 
_pdbx_reference_molecule.description                  "Analogue of cyclosporine A. It is a cyclic undecapeptide. Cyclization is achieved by linking the N- and the C- termini." 
_pdbx_reference_molecule.representative_PDB_id_code   8R7U 
# 
_pdbx_reference_entity_list.prd_id          PRD_002553 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002553 1 1  C DAL 1  N MLE 2  sing 1 ? ? ? 
PRD_002553 1 2  N DAL 1  C ALA 11 sing 1 ? ? ? 
PRD_002553 1 3  C MLE 2  N MLE 3  sing 1 ? ? ? 
PRD_002553 1 4  C MLE 3  N MVA 4  sing 1 ? ? ? 
PRD_002553 1 5  C MVA 4  N TMD 5  sing 1 ? ? ? 
PRD_002553 1 6  C TMD 5  N ABA 6  sing 1 ? ? ? 
PRD_002553 1 7  C ABA 6  N SAR 7  sing 1 ? ? ? 
PRD_002553 1 8  C SAR 7  N MLE 8  sing 1 ? ? ? 
PRD_002553 1 9  C MLE 8  N VAL 9  sing 1 ? ? ? 
PRD_002553 1 10 C VAL 9  N MLE 10 sing 1 ? ? ? 
PRD_002553 1 11 C MLE 10 N ALA 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002553 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002553 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002553 1 1  DAL .   N Y 
PRD_002553 1 2  MLE LEU N Y 
PRD_002553 1 3  MLE LEU N Y 
PRD_002553 1 4  MVA VAL N Y 
PRD_002553 1 5  TMD THR N Y 
PRD_002553 1 6  ABA ALA N Y 
PRD_002553 1 7  SAR GLY N Y 
PRD_002553 1 8  MLE LEU N Y 
PRD_002553 1 9  VAL VAL N Y 
PRD_002553 1 10 MLE LEU N Y 
PRD_002553 1 11 ALA ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002553 2023-12-22 PDBE "Create molecule" 
PRD_002553 2024-10-30 RCSB "Initial release" 
# 
data_PRD_002554
# 
_pdbx_reference_molecule.prd_id                       PRD_002554 
_pdbx_reference_molecule.name                         "MCR-ALA-7T2-GLY-004-7T2-SER-7T2-0NC inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C52 H60 Cl3 N9 O10 S" 
_pdbx_reference_molecule.formula_weight               1109.511 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8FPO 
# 
_pdbx_reference_entity_list.prd_id          PRD_002554 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002554 1 1 C  MCR 1 N  ALA 2 sing 1 . . . 
PRD_002554 1 2 S2 MCR 1 CB 0NC 9 sing 1 . . . 
PRD_002554 1 3 C  ALA 2 N  7T2 3 sing 1 . . . 
PRD_002554 1 4 C  7T2 3 N  GLY 4 sing 1 . . . 
PRD_002554 1 5 C  GLY 4 N  004 5 sing 1 . . . 
PRD_002554 1 6 C  004 5 N  7T2 6 sing 1 . . . 
PRD_002554 1 7 C  7T2 6 N  SER 7 sing 1 . . . 
PRD_002554 1 8 C  SER 7 N  7T2 8 sing 1 . . . 
PRD_002554 1 9 C  7T2 8 N  0NC 9 sing 1 . . . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002554 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002554 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002554 1 1 MCR .   N Y 
PRD_002554 1 2 ALA ALA N Y 
PRD_002554 1 3 7T2 PHE N Y 
PRD_002554 1 4 GLY GLY N Y 
PRD_002554 1 5 004 .   N Y 
PRD_002554 1 6 7T2 PHE N Y 
PRD_002554 1 7 SER SER N Y 
PRD_002554 1 8 7T2 PHE N Y 
PRD_002554 1 9 0NC ALA N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002554 2024-10-08 .    "Create molecule" 
PRD_002554 2024-10-16 RCSB "Initial release" 
# 
data_PRD_002555
# 
_pdbx_reference_molecule.prd_id                       PRD_002555 
_pdbx_reference_molecule.name                         "Paenilamicin B2" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antimicrobial 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C42 H86 N16 O13" 
_pdbx_reference_molecule.formula_weight               1023.232 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "A complex secondary metabolite produced by the honey bee brood pathogen Paenibacillus larvae" 
_pdbx_reference_molecule.description                  "Nonribosomally synthesized peptide-polyketide hybrid" 
_pdbx_reference_molecule.representative_PDB_id_code   8R6C 
# 
_pdbx_reference_entity_list.prd_id          PRD_002555 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002555 1 1 C YF5 1 N  DAL 2 sing 1 ? ? ? 
PRD_002555 1 2 C DAL 2 N  YFQ 3 sing 1 ? ? ? 
PRD_002555 1 3 C YFQ 3 N  ORD 4 sing 1 ? ? ? 
PRD_002555 1 4 C ORD 4 N  YFZ 5 sing 1 ? ? ? 
PRD_002555 1 5 C YFZ 5 N  YFQ 6 sing 1 ? ? ? 
PRD_002555 1 6 C YFQ 6 N  GLY 7 sing 1 ? ? ? 
PRD_002555 1 7 C GLY 7 N1 SPD 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002555 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002555 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002555 1 1 YF5 YFZ N Y 
PRD_002555 1 2 DAL .   N Y 
PRD_002555 1 3 YFQ ALA N Y 
PRD_002555 1 4 ORD .   N Y 
PRD_002555 1 5 YFZ .   N Y 
PRD_002555 1 6 YFQ ALA N Y 
PRD_002555 1 7 GLY GLY N Y 
PRD_002555 1 8 SPD .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002555 2024-01-23 PDBE "Create molecule" 
PRD_002555 2024-07-24 RCSB "Initial release" 
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Paenibacillus larvae" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002555 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                "DSM 25430" 
_pdbx_reference_entity_src_nat.taxid                 697284 
# 
data_PRD_002557
# 
_pdbx_reference_molecule.prd_id                       PRD_002557 
_pdbx_reference_molecule.name                         "Stapled peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C80 H104 N27 O17" 
_pdbx_reference_molecule.formula_weight               1715.852 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6Q4Q 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002557 1 1 polymer     .     
PRD_002557 2 2 non-polymer A1H27 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002557 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid" 
_pdbx_reference_entity_nonpoly.chem_comp_id    A1H27 
_pdbx_reference_entity_nonpoly.details         . 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_002557 1 PN 1 3  GLY CA 2 . A1H27 C5  sing 1 2 . . . 
PRD_002557 2 PN 1 12 GLY CA 2 . A1H27 C16 sing 1 2 . . . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002557 1 1  C ACE 1  N GLY 2  sing 1 . . . 
PRD_002557 1 2  C GLY 2  N GLY 3  sing 1 . . . 
PRD_002557 1 3  C GLY 3  N ARG 4  sing 1 . . . 
PRD_002557 1 4  C ARG 4  N LEU 5  sing 1 . . . 
PRD_002557 1 5  C LEU 5  N TYR 6  sing 1 . . . 
PRD_002557 1 6  C TYR 6  N GLY 7  sing 1 . . . 
PRD_002557 1 7  C GLY 7  N PHE 8  sing 1 . . . 
PRD_002557 1 8  C PHE 8  N LYS 9  sing 1 . . . 
PRD_002557 1 9  C LYS 9  N TRP 10 sing 1 . . . 
PRD_002557 1 10 C TRP 10 N HIS 11 sing 1 . . . 
PRD_002557 1 11 C HIS 11 N GLY 12 sing 1 . . . 
PRD_002557 1 12 C GLY 12 N GLY 13 sing 1 . . . 
PRD_002557 1 13 C GLY 13 N GLY 14 sing 1 . . . 
PRD_002557 1 14 C GLY 14 N NH2 15 sing 1 . . . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002557 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002557 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002557 1 1  ACE .   N Y 
PRD_002557 1 2  GLY GLY N Y 
PRD_002557 1 3  GLY GLY N Y 
PRD_002557 1 4  ARG ARG N Y 
PRD_002557 1 5  LEU LEU N Y 
PRD_002557 1 6  TYR TYR N Y 
PRD_002557 1 7  GLY GLY N Y 
PRD_002557 1 8  PHE PHE N Y 
PRD_002557 1 9  LYS LYS N Y 
PRD_002557 1 10 TRP TRP N Y 
PRD_002557 1 11 HIS HIS N Y 
PRD_002557 1 12 GLY GLY N Y 
PRD_002557 1 13 GLY GLY N Y 
PRD_002557 1 14 GLY GLY N Y 
PRD_002557 1 15 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002557 2024-02-27 PDBE "Create molecule" 
PRD_002557 2024-03-06 RCSB "Initial release" 
# 
data_PRD_002558
# 
_pdbx_reference_molecule.prd_id                       PRD_002558 
_pdbx_reference_molecule.name                         "DGN-DVA-YC3-GLU-PRO-THR-THR-PHE-MAA-A1BC0 inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C62 H84 N12 O14 S2" 
_pdbx_reference_molecule.formula_weight               1285.532 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8FVM 
# 
_pdbx_reference_entity_list.prd_id          PRD_002558 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002558 1 1  C  DGN 1 N  DVA   2  sing 1 . . . 
PRD_002558 1 2  N  DGN 1 CD GLU   4  sing 1 . . . 
PRD_002558 1 3  C  DVA 2 N  YC3   3  sing 1 . . . 
PRD_002558 1 4  C  YC3 3 N  GLU   4  sing 1 . . . 
PRD_002558 1 5  S2 YC3 3 SG A1BC0 10 sing 1 . . . 
PRD_002558 1 6  C  GLU 4 N  PRO   5  sing 1 . . . 
PRD_002558 1 7  C  PRO 5 N  THR   6  sing 1 . . . 
PRD_002558 1 8  C  THR 6 N  THR   7  sing 1 . . . 
PRD_002558 1 9  C  THR 7 N  PHE   8  sing 1 . . . 
PRD_002558 1 10 C  PHE 8 N  MAA   9  sing 1 . . . 
PRD_002558 1 11 C  MAA 9 N  A1BC0 10 sing 1 . . . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002558 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002558 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002558 1 1  DGN   .   N Y 
PRD_002558 1 2  DVA   .   N Y 
PRD_002558 1 3  YC3   PHE N Y 
PRD_002558 1 4  GLU   GLU N Y 
PRD_002558 1 5  PRO   PRO N Y 
PRD_002558 1 6  THR   THR N Y 
PRD_002558 1 7  THR   THR N Y 
PRD_002558 1 8  PHE   PHE N Y 
PRD_002558 1 9  MAA   ALA N Y 
PRD_002558 1 10 A1BC0 CYS N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002558 2024-10-08 .    "Create molecule" 
PRD_002558 2024-10-16 RCSB "Initial release" 
# 
data_PRD_002559
# 
_pdbx_reference_molecule.prd_id                       PRD_002559 
_pdbx_reference_molecule.name                         "Stapled peptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C75 H105 N26 O17" 
_pdbx_reference_molecule.formula_weight               1642.800 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6Q38 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002559 1 1 polymer     .     
PRD_002559 2 2 non-polymer A1H27 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002559 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid" 
_pdbx_reference_entity_nonpoly.chem_comp_id    A1H27 
_pdbx_reference_entity_nonpoly.details         . 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_002559 1 PN 1 3  GLY CA 2 . A1H27 C5  sing 1 2 . . . 
PRD_002559 2 PN 1 12 GLY CA 2 . A1H27 C16 sing 1 2 . . . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002559 1 1  C ACE 1  N GLY 2  sing 1 . . . 
PRD_002559 1 2  C GLY 2  N GLY 3  sing 1 . . . 
PRD_002559 1 3  C GLY 3  N ARG 4  sing 1 . . . 
PRD_002559 1 4  C ARG 4  N LEU 5  sing 1 . . . 
PRD_002559 1 5  C LEU 5  N TYR 6  sing 1 . . . 
PRD_002559 1 6  C TYR 6  N GLY 7  sing 1 . . . 
PRD_002559 1 7  C GLY 7  N PHE 8  sing 1 . . . 
PRD_002559 1 8  C PHE 8  N LYS 9  sing 1 . . . 
PRD_002559 1 9  C LYS 9  N ILE 10 sing 1 . . . 
PRD_002559 1 10 C ILE 10 N HIS 11 sing 1 . . . 
PRD_002559 1 11 C HIS 11 N GLY 12 sing 1 . . . 
PRD_002559 1 12 C GLY 12 N GLY 13 sing 1 . . . 
PRD_002559 1 13 C GLY 13 N GLY 14 sing 1 . . . 
PRD_002559 1 14 C GLY 14 N NH2 15 sing 1 . . . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002559 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002559 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002559 1 1  ACE .   N Y 
PRD_002559 1 2  GLY GLY N Y 
PRD_002559 1 3  GLY GLY N Y 
PRD_002559 1 4  ARG ARG N Y 
PRD_002559 1 5  LEU LEU N Y 
PRD_002559 1 6  TYR TYR N Y 
PRD_002559 1 7  GLY GLY N Y 
PRD_002559 1 8  PHE PHE N Y 
PRD_002559 1 9  LYS LYS N Y 
PRD_002559 1 10 ILE ILE N Y 
PRD_002559 1 11 HIS HIS N Y 
PRD_002559 1 12 GLY GLY N Y 
PRD_002559 1 13 GLY GLY N Y 
PRD_002559 1 14 GLY GLY N Y 
PRD_002559 1 15 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002559 2024-02-27 PDBE "Create molecule" 
PRD_002559 2024-03-06 RCSB "Initial release" 
# 
data_PRD_002560
# 
_pdbx_reference_molecule.prd_id                       PRD_002560 
_pdbx_reference_molecule.name                         "Entolysin A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Lipopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Toxin 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C81 H141 N17 O23" 
_pdbx_reference_molecule.formula_weight               1721.086 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Has insecticidal properties" 
_pdbx_reference_molecule.description                  "D-Ser, L-Val, L-Leu, D-Ser, L-Ile amino acids make up a macrocycle within the peptide" 
_pdbx_reference_molecule.representative_PDB_id_code   8S2D 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002560 1 1 polymer     .   
PRD_002560 2 2 non-polymer IG8 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002560 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "(3~{R})-3-oxidanyldecanoic acid" 
_pdbx_reference_entity_nonpoly.chem_comp_id    IG8 
_pdbx_reference_entity_nonpoly.details         . 
# 
_pdbx_reference_entity_link.prd_id              PRD_002560 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    1 
_pdbx_reference_entity_link.comp_id_1           LEU 
_pdbx_reference_entity_link.atom_id_1           N 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    . 
_pdbx_reference_entity_link.comp_id_2           IG8 
_pdbx_reference_entity_link.atom_id_2           C 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             . 
_pdbx_reference_entity_link.nonpoly_res_num_1   . 
_pdbx_reference_entity_link.nonpoly_res_num_2   . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002560 1 1  C  LEU 1  N DGL 2  sing 1 . . . 
PRD_002560 1 2  C  DGL 2  N DGN 3  sing 1 . . . 
PRD_002560 1 3  C  DGN 3  N DVA 4  sing 1 . . . 
PRD_002560 1 4  C  DVA 4  N DLE 5  sing 1 . . . 
PRD_002560 1 5  C  DLE 5  N DGN 6  sing 1 . . . 
PRD_002560 1 6  C  DGN 6  N DVA 7  sing 1 . . . 
PRD_002560 1 7  C  DVA 7  N DLE 8  sing 1 . . . 
PRD_002560 1 8  C  DLE 8  N DGN 9  sing 1 . . . 
PRD_002560 1 9  C  DGN 9  N DSN 10 sing 1 . . . 
PRD_002560 1 10 C  DSN 10 N VAL 11 sing 1 . . . 
PRD_002560 1 11 OG DSN 10 C ILE 14 sing 1 . . . 
PRD_002560 1 12 C  VAL 11 N LEU 12 sing 1 . . . 
PRD_002560 1 13 C  LEU 12 N SER 13 sing 1 . . . 
PRD_002560 1 14 C  SER 13 N ILE 14 sing 1 . . . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002560 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002560 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002560 1 1  LEU LEU N Y 
PRD_002560 1 2  DGL .   N Y 
PRD_002560 1 3  DGN .   N Y 
PRD_002560 1 4  DVA .   N Y 
PRD_002560 1 5  DLE .   N Y 
PRD_002560 1 6  DGN .   N Y 
PRD_002560 1 7  DVA .   N Y 
PRD_002560 1 8  DLE .   N Y 
PRD_002560 1 9  DGN .   N Y 
PRD_002560 1 10 DSN .   N Y 
PRD_002560 1 11 VAL VAL N Y 
PRD_002560 1 12 LEU LEU N Y 
PRD_002560 1 13 SER SER N Y 
PRD_002560 1 14 ILE ILE N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_002560 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 384676 
_pdbx_reference_entity_src_nat.organism_scientific   "Pseudomonas entomophila L48" 
_pdbx_reference_entity_src_nat.source                . 
_pdbx_reference_entity_src_nat.db_code               . 
_pdbx_reference_entity_src_nat.db_name               . 
_pdbx_reference_entity_src_nat.strain                . 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002560 2024-03-21 PDBE "Create molecule" 
PRD_002560 2025-02-26 RCSB "Initial release" 
# 
data_PRD_002561
# 
_pdbx_reference_molecule.prd_id                       PRD_002561 
_pdbx_reference_molecule.name                         "Orfamide A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Lipopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        ? 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C64 H114 N10 O17" 
_pdbx_reference_molecule.formula_weight               1295.647 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Cyclic lipopeptide with antifungal activity" 
_pdbx_reference_molecule.description                  "Cyclic lipopeptide" 
_pdbx_reference_molecule.representative_PDB_id_code   8S4L 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002561 1 1 polymer     .   
PRD_002561 2 2 non-polymer FTT 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002561 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "3-HYDROXY-TETRADECANOIC ACID" 
_pdbx_reference_entity_nonpoly.chem_comp_id    FTT 
_pdbx_reference_entity_nonpoly.details         . 
# 
_pdbx_reference_entity_link.prd_id              PRD_002561 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    1 
_pdbx_reference_entity_link.comp_id_1           LEU 
_pdbx_reference_entity_link.atom_id_1           N 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    . 
_pdbx_reference_entity_link.comp_id_2           FTT 
_pdbx_reference_entity_link.atom_id_2           C1 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             . 
_pdbx_reference_entity_link.nonpoly_res_num_1   . 
_pdbx_reference_entity_link.nonpoly_res_num_2   . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002561 1 1  C   LEU 1 N DGL 2  sing 1 . . . 
PRD_002561 1 2  C   DGL 2 N 2TL 3  sing 1 . . . 
PRD_002561 1 3  C   2TL 3 N 28J 4  sing 1 . . . 
PRD_002561 1 4  OG1 2TL 3 C VAL 10 sing 1 . . . 
PRD_002561 1 5  C   28J 4 N DLE 5  sing 1 . . . 
PRD_002561 1 6  C   DLE 5 N DSN 6  sing 1 . . . 
PRD_002561 1 7  C   DSN 6 N LEU 7  sing 1 . . . 
PRD_002561 1 8  C   LEU 7 N LEU 8  sing 1 . . . 
PRD_002561 1 9  C   LEU 8 N DSN 9  sing 1 . . . 
PRD_002561 1 10 C   DSN 9 N VAL 10 sing 1 . . . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002561 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002561 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002561 1 1  LEU LEU N Y 
PRD_002561 1 2  DGL .   N Y 
PRD_002561 1 3  2TL .   N Y 
PRD_002561 1 4  28J .   N Y 
PRD_002561 1 5  DLE .   N Y 
PRD_002561 1 6  DSN .   N Y 
PRD_002561 1 7  LEU LEU N Y 
PRD_002561 1 8  LEU LEU N Y 
PRD_002561 1 9  DSN .   N Y 
PRD_002561 1 10 VAL VAL N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_002561 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 220664 
_pdbx_reference_entity_src_nat.organism_scientific   "Pseudomonas protegens" 
_pdbx_reference_entity_src_nat.source                . 
_pdbx_reference_entity_src_nat.db_code               . 
_pdbx_reference_entity_src_nat.db_name               . 
_pdbx_reference_entity_src_nat.strain                . 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002561 2024-03-22 PDBE "Create molecule" 
PRD_002561 2025-02-26 RCSB "Initial release" 
# 
data_PRD_002562
# 
_pdbx_reference_molecule.prd_id                       PRD_002562 
_pdbx_reference_molecule.name                         "MCR-ALA-7T2-GLY-004-7T2-SER-7T2-ALA-GLY-NH2 inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C53 H61 Cl3 N10 O11 S" 
_pdbx_reference_molecule.formula_weight               1152.536 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   8FVO 
# 
_pdbx_reference_entity_list.prd_id          PRD_002562 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002562 1 1  C  MCR 1  N  ALA 2  sing 1 . . . 
PRD_002562 1 2  S2 MCR 1  CB ALA 9  sing 1 . . . 
PRD_002562 1 3  C  ALA 2  N  7T2 3  sing 1 . . . 
PRD_002562 1 4  C  7T2 3  N  GLY 4  sing 1 . . . 
PRD_002562 1 5  C  GLY 4  N  004 5  sing 1 . . . 
PRD_002562 1 6  C  004 5  N  7T2 6  sing 1 . . . 
PRD_002562 1 7  C  7T2 6  N  SER 7  sing 1 . . . 
PRD_002562 1 8  C  SER 7  N  7T2 8  sing 1 . . . 
PRD_002562 1 9  C  7T2 8  N  ALA 9  sing 1 . . . 
PRD_002562 1 10 C  ALA 9  N  GLY 10 sing 1 . . . 
PRD_002562 1 11 C  GLY 10 N  NH2 11 sing 1 . . . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002562 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002562 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002562 1 1  MCR .   N Y 
PRD_002562 1 2  ALA ALA N Y 
PRD_002562 1 3  7T2 PHE N Y 
PRD_002562 1 4  GLY GLY N Y 
PRD_002562 1 5  004 .   N Y 
PRD_002562 1 6  7T2 PHE N Y 
PRD_002562 1 7  SER SER N Y 
PRD_002562 1 8  7T2 PHE N Y 
PRD_002562 1 9  ALA ALA N Y 
PRD_002562 1 10 GLY GLY N Y 
PRD_002562 1 11 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002562 2024-10-08 .    "Create molecule" 
PRD_002562 2024-10-16 RCSB "Initial release" 
# 
data_PRD_002568
# 
_pdbx_reference_molecule.prd_id                       PRD_002568 
_pdbx_reference_molecule.name                         "Fluorinated GM1 ganglioside analogue" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Glycan component" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C49 H84 F2 N2 O27" 
_pdbx_reference_molecule.formula_weight               1171.185 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "In lipid rafts, GM1 gangliosides serve a role in several signaling systems. GM1 gangliosides promote differentiation of various neuronal cells." 
_pdbx_reference_molecule.description                  "GM1 ganglioside lipids (monosialotetrahexosylgangliosides) belong to the group of gangliosides within the sphingolipids. Their structure consists of a ceramide backbone linked to an oligosaccharide unit made of five sugar molecules. In this analogue one of the five sugars is fluorinated and the ceramide backbone is replaced by an unsaturated hydrocarbon." 
_pdbx_reference_molecule.representative_PDB_id_code   9EWF 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002568 1 1 branched    .     
PRD_002568 2 2 non-polymer A1H7V 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002568 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "(2R,3S,4S,5R,6R)-6-dodecoxy-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol" 
_pdbx_reference_entity_nonpoly.chem_comp_id    A1H7V 
_pdbx_reference_entity_nonpoly.details         . 
# 
_pdbx_reference_entity_link.prd_id              PRD_002568 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    1 
_pdbx_reference_entity_link.comp_id_1           GAL 
_pdbx_reference_entity_link.atom_id_1           C1 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    . 
_pdbx_reference_entity_link.comp_id_2           A1H7V 
_pdbx_reference_entity_link.atom_id_2           O4 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             . 
_pdbx_reference_entity_link.nonpoly_res_num_1   . 
_pdbx_reference_entity_link.nonpoly_res_num_2   . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002568 1 1 O4 GAL 1 C1 NGA 2 sing 1 . . . 
PRD_002568 1 2 O3 GAL 1 C2 SIA 4 sing 1 . . . 
PRD_002568 1 3 O3 NGA 2 C1 2FG 3 sing 1 . . . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002568 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002568 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002568 1 1 GAL . N Y 
PRD_002568 1 2 NGA . N Y 
PRD_002568 1 3 2FG . N Y 
PRD_002568 1 4 SIA . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002568 2024-04-15 .    "Create molecule" 
PRD_002568 2025-02-26 RCSB "Initial release" 
# 
data_PRD_002569
# 
_pdbx_reference_molecule.prd_id                       PRD_002569 
_pdbx_reference_molecule.name                         "Rufomycin analog" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C58 H87 Cl N9 O12" 
_pdbx_reference_molecule.formula_weight               1137.817 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   pdb_00009din 
# 
_pdbx_reference_entity_list.prd_id          PRD_002569 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002569 1 1 C   A1A5S 1 N MLE   2 sing 1 . . . 
PRD_002569 1 2 N   A1A5S 1 C NLE   7 sing 1 . . . 
PRD_002569 1 3 C   MLE   2 N NIY   3 sing 1 . . . 
PRD_002569 1 4 C   NIY   3 N ALA   4 sing 1 . . . 
PRD_002569 1 5 C   ALA   4 N A1A5T 5 sing 1 . . . 
PRD_002569 1 6 C   A1A5T 5 N LEU   6 sing 1 . . . 
PRD_002569 1 7 CD2 A1A5T 5 N LEU   6 sing 1 . . . 
PRD_002569 1 8 C   LEU   6 N NLE   7 sing 1 . . . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002569 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002569 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002569 1 1 A1A5S TRP N Y 
PRD_002569 1 2 MLE   LEU N Y 
PRD_002569 1 3 NIY   TYR N Y 
PRD_002569 1 4 ALA   ALA N Y 
PRD_002569 1 5 A1A5T LEU N Y 
PRD_002569 1 6 LEU   LEU N Y 
PRD_002569 1 7 NLE   LEU N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002569 2025-03-29 RCSB "Create molecule" 
PRD_002569 2025-04-16 RCSB "Initial release" 
# 
data_PRD_002573
# 
_pdbx_reference_molecule.prd_id                       PRD_002573 
_pdbx_reference_molecule.name                         Sialyl-Tn-Ser 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H37 N3 O16" 
_pdbx_reference_molecule.formula_weight               599.540 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Activation of an aberrant glycosylation pathway in cancer cells can lead to expression of the onco-foetal sialyl-Tn (sTn) antigen." 
_pdbx_reference_molecule.description                  "Sialyl-Tn (sTn) antigen is a truncated O-glycan containing a sialic acid alpha-2,6 linked to N-acetylgalactosamine (GalNAc) alpha-O-serine or to N-acetylgalactosamine (GalNAc) alpha-O-threonine." 
_pdbx_reference_molecule.representative_PDB_id_code   9FXT 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002573 1 1 branched    .   
PRD_002573 2 2 non-polymer SER 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002573 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            SERINE 
_pdbx_reference_entity_nonpoly.chem_comp_id    SER 
_pdbx_reference_entity_nonpoly.details         . 
# 
_pdbx_reference_entity_link.prd_id              PRD_002573 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    1 
_pdbx_reference_entity_link.comp_id_1           A2G 
_pdbx_reference_entity_link.atom_id_1           C1 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    . 
_pdbx_reference_entity_link.comp_id_2           SER 
_pdbx_reference_entity_link.atom_id_2           OG 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             . 
_pdbx_reference_entity_link.nonpoly_res_num_1   . 
_pdbx_reference_entity_link.nonpoly_res_num_2   . 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_002573 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O6 
_pdbx_reference_entity_poly_link.comp_id_1          A2G 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C2 
_pdbx_reference_entity_poly_link.comp_id_2          SIA 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        sing 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.details            . 
_pdbx_reference_entity_poly_link.insert_code_1      . 
_pdbx_reference_entity_poly_link.insert_code_2      . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002573 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002573 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002573 1 1 A2G . N Y 
PRD_002573 1 2 SIA . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002573 2024-07-10 PDBE "Create molecule" 
PRD_002573 2025-02-12 RCSB "Initial release" 
# 
data_PRD_002574
# 
_pdbx_reference_molecule.prd_id                       PRD_002574 
_pdbx_reference_molecule.name                         Sialyl-Tn-Thr 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H39 N3 O16" 
_pdbx_reference_molecule.formula_weight               613.566 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Activation of an aberrant glycosylation pathway in cancer cells can lead to expression of the onco-foetal sialyl-Tn (sTn) antigen." 
_pdbx_reference_molecule.description                  "Sialyl-Tn (sTn) antigen is a truncated O-glycan containing a sialic acid alpha-2,6 linked to N-acetylgalactosamine (GalNAc) alpha-O-threonine or to N-acetylgalactosamine (GalNAc) alpha-O-serine." 
_pdbx_reference_molecule.representative_PDB_id_code   9FY8 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002574 1 1 branched    .   
PRD_002574 2 2 non-polymer THR 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002574 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            THREONINE 
_pdbx_reference_entity_nonpoly.chem_comp_id    THR 
_pdbx_reference_entity_nonpoly.details         . 
# 
_pdbx_reference_entity_link.prd_id              PRD_002574 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PN 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    1 
_pdbx_reference_entity_link.comp_id_1           A2G 
_pdbx_reference_entity_link.atom_id_1           C1 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    . 
_pdbx_reference_entity_link.comp_id_2           THR 
_pdbx_reference_entity_link.atom_id_2           OG1 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             . 
_pdbx_reference_entity_link.nonpoly_res_num_1   . 
_pdbx_reference_entity_link.nonpoly_res_num_2   . 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_002574 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O6 
_pdbx_reference_entity_poly_link.comp_id_1          A2G 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C2 
_pdbx_reference_entity_poly_link.comp_id_2          SIA 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        sing 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.details            . 
_pdbx_reference_entity_poly_link.insert_code_1      . 
_pdbx_reference_entity_poly_link.insert_code_2      . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002574 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002574 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002574 1 1 A2G . N Y 
PRD_002574 1 2 SIA . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002574 2024-07-10 PDBE "Create molecule" 
PRD_002574 2025-02-12 RCSB "Initial release" 
# 
data_PRD_002578
# 
_pdbx_reference_molecule.prd_id                       PRD_002578 
_pdbx_reference_molecule.name                         ? 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         ? 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H36 N4 O6" 
_pdbx_reference_molecule.formula_weight               476.566 
_pdbx_reference_molecule.chem_comp_id                 QOE 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6ZP8 
# 
_pdbx_reference_entity_list.prd_id          PRD_002578 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            non-polymer 
_pdbx_reference_entity_list.details         QOE 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002578 
_pdbx_reference_entity_nonpoly.ref_entity_id   1 
_pdbx_reference_entity_nonpoly.name            "(2~{S},3~{R})-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-2-(3-phenylpropanoylamino)butanamide" 
_pdbx_reference_entity_nonpoly.chem_comp_id    QOE 
_pdbx_reference_entity_nonpoly.details         . 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002578 2024-09-11 .    "Create molecule" 
PRD_002578 2024-09-25 RCSB "Initial release" 
# 
data_PRD_002580
# 
_pdbx_reference_molecule.prd_id                       PRD_002580 
_pdbx_reference_molecule.name                         ? 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         ? 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H40 N4 O6" 
_pdbx_reference_molecule.formula_weight               504.619 
_pdbx_reference_molecule.chem_comp_id                 QOB 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6ZP6 
# 
_pdbx_reference_entity_list.prd_id          PRD_002580 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            non-polymer 
_pdbx_reference_entity_list.details         QOB 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_002580 
_pdbx_reference_entity_nonpoly.ref_entity_id   1 
_pdbx_reference_entity_nonpoly.name            "~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-5-phenyl-pentanamide" 
_pdbx_reference_entity_nonpoly.chem_comp_id    QOB 
_pdbx_reference_entity_nonpoly.details         . 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002580 2024-09-11 PDBE "Create molecule" 
PRD_002580 2024-09-25 RCSB "Initial release" 
# 
data_PRD_002583
# 
_pdbx_reference_molecule.prd_id                       PRD_002583 
_pdbx_reference_molecule.name                         "Peptidoglycan disaccharide tetrapeptide" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Glycopeptide 
_pdbx_reference_molecule.type_evidence_code           "Peptidoglycan monomer from Corynebacterium jeikeium or Mycobacterium tuberculosis." 
_pdbx_reference_molecule.class                        Inducer 
_pdbx_reference_molecule.class_evidence_code          "Peptidoglycan components can induce immune response." 
_pdbx_reference_molecule.formula                      "C37 H63 N9 O19" 
_pdbx_reference_molecule.formula_weight               937.945 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             GlcNAc-MurNAc-L-ALA-D-iGluNH2-m-DAPNH2-D-ALA 
_pdbx_reference_molecule.description                  "Peptidoglycan is composed of glycan strands and peptide stems. In this instance the glycan strands are made of N-acetylmuramic acid/MurNAc (MUB) and N-acetylglucosamine/GlcNAc (NAG) linked by beta-1,4 glycosidic bonds.  Peptide stems, in this instance, are attach to MurNAc and consist of L-alanine, gamma D-glutamine/D-Gln (ZGL), meso-diaminopimelic acid/m-DAP (JGO), and D-alanine (DAP)." 
_pdbx_reference_molecule.representative_PDB_id_code   8PXY 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_002583 1 1 polymer  . 
PRD_002583 2 2 branched . 
# 
_pdbx_reference_entity_link.prd_id              PRD_002583 
_pdbx_reference_entity_link.link_id             1 
_pdbx_reference_entity_link.link_class          PP 
_pdbx_reference_entity_link.ref_entity_id_1     1 
_pdbx_reference_entity_link.entity_seq_num_1    1 
_pdbx_reference_entity_link.comp_id_1           ALA 
_pdbx_reference_entity_link.atom_id_1           N 
_pdbx_reference_entity_link.ref_entity_id_2     2 
_pdbx_reference_entity_link.entity_seq_num_2    1 
_pdbx_reference_entity_link.comp_id_2           MUB 
_pdbx_reference_entity_link.atom_id_2           C10 
_pdbx_reference_entity_link.value_order         sing 
_pdbx_reference_entity_link.component_1         1 
_pdbx_reference_entity_link.component_2         2 
_pdbx_reference_entity_link.details             . 
_pdbx_reference_entity_link.nonpoly_res_num_1   . 
_pdbx_reference_entity_link.nonpoly_res_num_2   . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002583 1 1 C  ALA 1 N  ZGL 2 sing 1 . . . 
PRD_002583 1 2 C  ZGL 2 N  JGO 3 sing 1 . . . 
PRD_002583 1 3 C  JGO 3 N  DAL 4 sing 1 . . . 
PRD_002583 2 4 O4 MUB 1 C1 NAG 2 sing 2 . . . 
# 
loop_
_pdbx_reference_entity_poly.prd_id 
_pdbx_reference_entity_poly.ref_entity_id 
_pdbx_reference_entity_poly.db_code 
_pdbx_reference_entity_poly.db_name 
_pdbx_reference_entity_poly.type 
PRD_002583 1 . . peptide-like    
PRD_002583 2 . . oligosaccharide 
# 
loop_
_pdbx_reference_entity_sequence.prd_id 
_pdbx_reference_entity_sequence.ref_entity_id 
_pdbx_reference_entity_sequence.type 
_pdbx_reference_entity_sequence.NRP_flag 
PRD_002583 1 peptide-like N 
PRD_002583 2 saccharide   N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002583 1 1 ALA ALA N Y 
PRD_002583 1 2 ZGL .   N Y 
PRD_002583 1 3 JGO LYS N Y 
PRD_002583 1 4 DAL .   N Y 
PRD_002583 2 1 MUB .   N Y 
PRD_002583 2 2 NAG .   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_002583 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 38289 
_pdbx_reference_entity_src_nat.organism_scientific   "Corynebacterium jeikeium" 
_pdbx_reference_entity_src_nat.source                . 
_pdbx_reference_entity_src_nat.db_code               . 
_pdbx_reference_entity_src_nat.db_name               . 
_pdbx_reference_entity_src_nat.strain                . 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002583 2024-10-05 PDBE "Create molecule" 
PRD_002583 2024-10-16 RCSB "Initial release" 
# 
data_PRD_002584
# 
_pdbx_reference_molecule.prd_id                       PRD_002584 
_pdbx_reference_molecule.name                         "Lacto-N-biose I" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           "Lacto-N-biose; beta-D-Gal-(1->3)-D-GlcNAc (KEGG COMPOUND)" 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          "Lacto-N-biose I (LNB), termed a Type 1 disaccharide, is an important building block of human milk oligosaccharides (HMOs)." 
_pdbx_reference_molecule.formula                      "C14 H25 N O11" 
_pdbx_reference_molecule.formula_weight               383.348 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Lacto-N-biose I (LNB; Gal-beta-1-3GlcNAc; GalB1-3GlcNAc) disaccharide is present as a core unit of type-1 blood group antigens of animal glycoconjugates and milk oligosaccharides." 
_pdbx_reference_molecule.description                  "An amino disaccharide consisting of beta-D-galactose (GAL) linked via a (1-3)-glycosidic bond to N-acetyl-D-glucosamine (NDG)." 
_pdbx_reference_molecule.representative_PDB_id_code   9H0O 
# 
_pdbx_reference_entity_list.prd_id          PRD_002584 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         . 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_002584 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O3 
_pdbx_reference_entity_poly_link.comp_id_1          NDG 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          GAL 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        sing 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.details            . 
_pdbx_reference_entity_poly_link.insert_code_1      . 
_pdbx_reference_entity_poly_link.insert_code_2      . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002584 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002584 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002584 1 1 NDG . N Y 
PRD_002584 1 2 GAL . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002584 2024-10-10 PDBE "Create molecule" 
PRD_002584 2025-07-02 RCSB "Initial release" 
# 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.organism_scientific   "Homo sapiens" 
_pdbx_reference_entity_src_nat.prd_id                PRD_002584 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.strain                ? 
_pdbx_reference_entity_src_nat.taxid                 9606 
# 
data_PRD_002591
# 
_pdbx_reference_molecule.prd_id                       PRD_002591 
_pdbx_reference_molecule.name                         "B Lewis b" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C32 H55 N O24" 
_pdbx_reference_molecule.formula_weight               837.771 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Blood group antigen composed of fucose, galactose and N-acetyl-beta-D-glucosamine. Branched amino pentasaccharide consisting of linear trisaccharide, alpha-D-galactosyl-(1-3)-beta-D-galactosyl-(1-3)-N-acetyl-beta-D-glucosamine, with alpha-L-fucosyl residues attached at position 2 and position 4 of the trisaccharide." 
_pdbx_reference_molecule.description                  "Oligosaccharide with branches" 
_pdbx_reference_molecule.representative_PDB_id_code   pdb_00009ib9 
# 
_pdbx_reference_entity_list.prd_id          PRD_002591 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002591 1 1 O3 NDG 1 C1 GAL 2 sing 1 . . . 
PRD_002591 1 2 O4 NDG 1 C1 FUC 5 sing 1 . . . 
PRD_002591 1 3 O2 GAL 2 C1 FUC 3 sing 1 . . . 
PRD_002591 1 4 O3 GAL 2 C1 GLA 4 sing 1 . . . 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002591 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002591 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002591 1 1 NDG . N Y 
PRD_002591 1 2 GAL . N Y 
PRD_002591 1 3 FUC . N Y 
PRD_002591 1 4 GLA . N Y 
PRD_002591 1 5 FUC . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002591 2025-02-18 .    "Create molecule" 
PRD_002591 2025-10-29 RCSB "Initial release" 
# 
data_PRD_900001
# 
_pdbx_reference_molecule.prd_id                       PRD_900001 
_pdbx_reference_molecule.name                         alpha-maltose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O11" 
_pdbx_reference_molecule.formula_weight               342.296 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   1MPD 
# 
_pdbx_reference_entity_list.prd_id          PRD_900001 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900001 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900001 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900001 1 1 GLC ? N Y 
PRD_900001 1 2 GLC ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900001 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900001 2020-05-08 RCSB "Create molecule" 
PRD_900001 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900002
# 
_pdbx_reference_molecule.prd_id                       PRD_900002 
_pdbx_reference_molecule.name                         raffinose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H32 O16" 
_pdbx_reference_molecule.formula_weight               504.437 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with reducing-end-to-reducing-end glycosidic bond" 
_pdbx_reference_molecule.representative_PDB_id_code   4ZS9 
# 
_pdbx_reference_entity_list.prd_id          PRD_900002 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900002 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900002 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900002 1 1 FRU ? N Y 
PRD_900002 1 2 GLC ? N Y 
PRD_900002 1 3 GLA ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900002 1 1 1 O2 FRU 1 C1 GLC 2 SING ? ? ? 
PRD_900002 1 1 2 O6 GLC 2 C1 GLA 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900002 2020-05-08 RCSB "Create molecule" 
PRD_900002 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900003
# 
_pdbx_reference_molecule.prd_id                       PRD_900003 
_pdbx_reference_molecule.name                         sucrose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O11" 
_pdbx_reference_molecule.formula_weight               342.296 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with reducing-end-to-reducing-end glycosidic bond" 
_pdbx_reference_molecule.representative_PDB_id_code   3TAN 
# 
_pdbx_reference_entity_list.prd_id          PRD_900003 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900003 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900003 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900003 1 1 GLC ? N Y 
PRD_900003 1 2 FRU ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900003 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          C1 
_pdbx_reference_entity_poly_link.comp_id_1          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          O2 
_pdbx_reference_entity_poly_link.comp_id_2          FRU 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900003 2020-05-08 RCSB "Create molecule" 
PRD_900003 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900004
# 
_pdbx_reference_molecule.prd_id                       PRD_900004 
_pdbx_reference_molecule.name                         beta-lactose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O11" 
_pdbx_reference_molecule.formula_weight               342.296 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   4NO4 
# 
_pdbx_reference_entity_list.prd_id          PRD_900004 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900004 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900004 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900004 1 1 BGC ? N Y 
PRD_900004 1 2 GAL ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900004 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          BGC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          GAL 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900004 2020-05-08 RCSB "Create molecule" 
PRD_900004 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900005
# 
_pdbx_reference_molecule.prd_id                       PRD_900005 
_pdbx_reference_molecule.name                         beta-cellobiose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Metabolism 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O11" 
_pdbx_reference_molecule.formula_weight               342.296 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   3PFX 
# 
_pdbx_reference_entity_list.prd_id          PRD_900005 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900005 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900005 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900005 1 1 BGC ? N Y 
PRD_900005 1 2 BGC ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900005 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          BGC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          BGC 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900005 2020-05-08 RCSB "Create molecule" 
PRD_900005 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900006
# 
_pdbx_reference_molecule.prd_id                       PRD_900006 
_pdbx_reference_molecule.name                         trehalose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O11" 
_pdbx_reference_molecule.formula_weight               342.296 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with reducing-end-to-reducing-end glycosidic bond" 
_pdbx_reference_molecule.representative_PDB_id_code   4KZV 
# 
_pdbx_reference_entity_list.prd_id          PRD_900006 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900006 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900006 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900006 1 1 GLC ? N Y 
PRD_900006 1 2 GLC ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900006 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          C1 
_pdbx_reference_entity_poly_link.comp_id_1          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          O1 
_pdbx_reference_entity_poly_link.comp_id_2          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900006 2020-05-08 RCSB "Create molecule" 
PRD_900006 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900007
# 
_pdbx_reference_molecule.prd_id                       PRD_900007 
_pdbx_reference_molecule.name                         alpha-acarbose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H43 N O18" 
_pdbx_reference_molecule.formula_weight               645.605 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   3WEO 
# 
_pdbx_reference_entity_list.prd_id          PRD_900007 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900007 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900007 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900007 1 1 GLC ? N Y 
PRD_900007 1 2 GLC ? N Y 
PRD_900007 1 3 AC1 ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900007 1 1 1 O4 GLC 1 C1 GLC 2 SING ? ? ? 
PRD_900007 1 1 2 O4 GLC 2 C1 AC1 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900007 2020-05-08 RCSB "Create molecule" 
PRD_900007 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900008
# 
_pdbx_reference_molecule.prd_id                       PRD_900008 
_pdbx_reference_molecule.name                         alpha-lactose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O11" 
_pdbx_reference_molecule.formula_weight               342.296 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   5NLD 
# 
_pdbx_reference_entity_list.prd_id          PRD_900008 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900008 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900008 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900008 1 1 GLC ? N Y 
PRD_900008 1 2 GAL ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900008 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          GAL 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900008 2020-05-08 RCSB "Create molecule" 
PRD_900008 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900009
# 
_pdbx_reference_molecule.prd_id                       PRD_900009 
_pdbx_reference_molecule.name                         alpha-maltotriose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H32 O16" 
_pdbx_reference_molecule.formula_weight               504.437 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   5M28 
# 
_pdbx_reference_entity_list.prd_id          PRD_900009 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900009 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900009 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900009 1 1 GLC ? N Y 
PRD_900009 1 2 GLC ? N Y 
PRD_900009 1 3 GLC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900009 1 1 1 O4 GLC 1 C1 GLC 2 SING ? ? ? 
PRD_900009 1 1 2 O4 GLC 2 C1 GLC 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900009 2020-05-08 RCSB "Create molecule" 
PRD_900009 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900010
# 
_pdbx_reference_molecule.prd_id                       PRD_900010 
_pdbx_reference_molecule.name                         alpha-maltotetraose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H42 O21" 
_pdbx_reference_molecule.formula_weight               666.578 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   6IYG 
# 
_pdbx_reference_entity_list.prd_id          PRD_900010 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900010 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900010 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900010 1 1 GLC ? N Y 
PRD_900010 1 2 GLC ? N Y 
PRD_900010 1 3 GLC ? N Y 
PRD_900010 1 4 GLC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900010 1 1 1 O4 GLC 1 C1 GLC 2 SING ? ? ? 
PRD_900010 1 1 2 O4 GLC 2 C1 GLC 3 SING ? ? ? 
PRD_900010 1 1 3 O4 GLC 3 C1 GLC 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900010 2020-05-08 RCSB "Create molecule" 
PRD_900010 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900011
# 
_pdbx_reference_molecule.prd_id                       PRD_900011 
_pdbx_reference_molecule.name                         beta-cellotetraose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Metabolism 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H42 O21" 
_pdbx_reference_molecule.formula_weight               666.578 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   3PFZ 
# 
_pdbx_reference_entity_list.prd_id          PRD_900011 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900011 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900011 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900011 1 1 BGC ? N Y 
PRD_900011 1 2 BGC ? N Y 
PRD_900011 1 3 BGC ? N Y 
PRD_900011 1 4 BGC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900011 1 1 1 O4 BGC 1 C1 BGC 2 SING ? ? ? 
PRD_900011 1 1 2 O4 BGC 2 C1 BGC 3 SING ? ? ? 
PRD_900011 1 1 3 O4 BGC 3 C1 BGC 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900011 2020-05-08 RCSB "Create molecule" 
PRD_900011 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900012
# 
_pdbx_reference_molecule.prd_id                       PRD_900012 
_pdbx_reference_molecule.name                         beta-cyclodextrin 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Drug delivery" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C42 H70 O35" 
_pdbx_reference_molecule.formula_weight               1134.984 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "cyclic oligosaccharide" 
_pdbx_reference_molecule.representative_PDB_id_code   5MK9 
# 
_pdbx_reference_entity_list.prd_id          PRD_900012 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900012 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900012 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900012 1 1 GLC ? N Y 
PRD_900012 1 2 GLC ? N Y 
PRD_900012 1 3 GLC ? N Y 
PRD_900012 1 4 GLC ? N Y 
PRD_900012 1 5 GLC ? N Y 
PRD_900012 1 6 GLC ? N Y 
PRD_900012 1 7 GLC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900012 1 1 1 C1 GLC 1 O4 GLC 7 SING ? ? ? 
PRD_900012 1 1 2 O4 GLC 1 C1 GLC 2 SING ? ? ? 
PRD_900012 1 1 3 O4 GLC 2 C1 GLC 3 SING ? ? ? 
PRD_900012 1 1 4 O4 GLC 3 C1 GLC 4 SING ? ? ? 
PRD_900012 1 1 5 O4 GLC 4 C1 GLC 5 SING ? ? ? 
PRD_900012 1 1 6 O4 GLC 5 C1 GLC 6 SING ? ? ? 
PRD_900012 1 1 7 O4 GLC 6 C1 GLC 7 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900012 2020-05-08 RCSB "Create molecule" 
PRD_900012 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900013
# 
_pdbx_reference_molecule.prd_id                       PRD_900013 
_pdbx_reference_molecule.name                         "sucrose octasulfate" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O35 S8" 
_pdbx_reference_molecule.formula_weight               982.802 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with reducing-end-to-reducing-end glycosidic bond" 
_pdbx_reference_molecule.representative_PDB_id_code   1AFC 
# 
_pdbx_reference_entity_list.prd_id          PRD_900013 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900013 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900013 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900013 1 1 GU4 ? N Y 
PRD_900013 1 2 YYJ ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900013 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          C1 
_pdbx_reference_entity_poly_link.comp_id_1          GU4 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          O2 
_pdbx_reference_entity_poly_link.comp_id_2          YYJ 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900013 2020-05-08 RCSB "Create molecule" 
PRD_900013 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900014
# 
_pdbx_reference_molecule.prd_id                       PRD_900014 
_pdbx_reference_molecule.name                         alpha-cellotriose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Metabolism 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H32 O16" 
_pdbx_reference_molecule.formula_weight               504.437 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   4W7W 
# 
_pdbx_reference_entity_list.prd_id          PRD_900014 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900014 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900014 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900014 1 1 GLC ? N Y 
PRD_900014 1 2 BGC ? N Y 
PRD_900014 1 3 BGC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900014 1 1 1 O4 GLC 1 C1 BGC 2 SING ? ? ? 
PRD_900014 1 1 2 O4 BGC 2 C1 BGC 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900014 2020-05-08 RCSB "Create molecule" 
PRD_900014 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900015
# 
_pdbx_reference_molecule.prd_id                       PRD_900015 
_pdbx_reference_molecule.name                         alpha-cyclodextrin 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Drug delivery" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H60 O30" 
_pdbx_reference_molecule.formula_weight               972.844 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "cyclic oligosaccharide" 
_pdbx_reference_molecule.representative_PDB_id_code   2XFY 
# 
_pdbx_reference_entity_list.prd_id          PRD_900015 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900015 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900015 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900015 1 1 GLC ? N Y 
PRD_900015 1 2 GLC ? N Y 
PRD_900015 1 3 GLC ? N Y 
PRD_900015 1 4 GLC ? N Y 
PRD_900015 1 5 GLC ? N Y 
PRD_900015 1 6 GLC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900015 1 1 1 O4 GLC 1 C1 GLC 2 SING ? ? ? 
PRD_900015 1 1 2 C1 GLC 1 O4 GLC 6 SING ? ? ? 
PRD_900015 1 1 3 O4 GLC 2 C1 GLC 3 SING ? ? ? 
PRD_900015 1 1 4 O4 GLC 3 C1 GLC 4 SING ? ? ? 
PRD_900015 1 1 5 O4 GLC 4 C1 GLC 5 SING ? ? ? 
PRD_900015 1 1 6 O4 GLC 5 C1 GLC 6 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900015 2020-05-08 RCSB "Create molecule" 
PRD_900015 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900016
# 
_pdbx_reference_molecule.prd_id                       PRD_900016 
_pdbx_reference_molecule.name                         beta-cellopentaose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Metabolism 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H52 O26" 
_pdbx_reference_molecule.formula_weight               828.718 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   3PL3 
# 
_pdbx_reference_entity_list.prd_id          PRD_900016 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900016 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900016 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900016 1 1 BGC ? N Y 
PRD_900016 1 2 BGC ? N Y 
PRD_900016 1 3 BGC ? N Y 
PRD_900016 1 4 BGC ? N Y 
PRD_900016 1 5 BGC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900016 1 1 1 O4 BGC 1 C1 BGC 2 SING ? ? ? 
PRD_900016 1 1 2 O4 BGC 2 C1 BGC 3 SING ? ? ? 
PRD_900016 1 1 3 O4 BGC 3 C1 BGC 4 SING ? ? ? 
PRD_900016 1 1 4 O4 BGC 4 C1 BGC 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900016 2020-05-08 RCSB "Create molecule" 
PRD_900016 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900017
# 
_pdbx_reference_molecule.prd_id                       PRD_900017 
_pdbx_reference_molecule.name                         triacetyl-beta-chitotriose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H41 N3 O16" 
_pdbx_reference_molecule.formula_weight               627.593 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   5NJR 
# 
_pdbx_reference_entity_list.prd_id          PRD_900017 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900017 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900017 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900017 1 1 NAG ? N Y 
PRD_900017 1 2 NAG ? N Y 
PRD_900017 1 3 NAG ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900017 1 1 1 O4 NAG 1 C1 NAG 2 SING ? ? ? 
PRD_900017 1 1 2 O4 NAG 2 C1 NAG 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900017 2020-05-08 RCSB "Create molecule" 
PRD_900017 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900018
# 
_pdbx_reference_molecule.prd_id                       PRD_900018 
_pdbx_reference_molecule.name                         beta-maltose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O11" 
_pdbx_reference_molecule.formula_weight               342.296 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   5LGW 
# 
_pdbx_reference_entity_list.prd_id          PRD_900018 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900018 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900018 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900018 1 1 BGC ? N Y 
PRD_900018 1 2 GLC ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900018 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          BGC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900018 2020-05-08 RCSB "Create molecule" 
PRD_900018 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900019
# 
_pdbx_reference_molecule.prd_id                       PRD_900019 
_pdbx_reference_molecule.name                         N-acetyl-alpha-lactosamine 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Glycan component" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C14 H25 N O11" 
_pdbx_reference_molecule.formula_weight               383.348 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   4Q26 
# 
_pdbx_reference_entity_list.prd_id          PRD_900019 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900019 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900019 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900019 1 1 NDG ? N Y 
PRD_900019 1 2 GAL ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900019 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          NDG 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          GAL 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900019 2020-05-08 RCSB "Create molecule" 
PRD_900019 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900020
# 
_pdbx_reference_molecule.prd_id                       PRD_900020 
_pdbx_reference_molecule.name                         beta-cellohexaose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Metabolism 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H62 O31" 
_pdbx_reference_molecule.formula_weight               990.859 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   6BSW 
# 
_pdbx_reference_entity_list.prd_id          PRD_900020 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900020 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900020 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900020 1 1 BGC ? N Y 
PRD_900020 1 2 BGC ? N Y 
PRD_900020 1 3 BGC ? N Y 
PRD_900020 1 4 BGC ? N Y 
PRD_900020 1 5 BGC ? N Y 
PRD_900020 1 6 BGC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900020 1 1 1 O4 BGC 1 C1 BGC 2 SING ? ? ? 
PRD_900020 1 1 2 O4 BGC 2 C1 BGC 3 SING ? ? ? 
PRD_900020 1 1 3 O4 BGC 3 C1 BGC 4 SING ? ? ? 
PRD_900020 1 1 4 O4 BGC 4 C1 BGC 5 SING ? ? ? 
PRD_900020 1 1 5 O4 BGC 5 C1 BGC 6 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900020 2020-05-08 RCSB "Create molecule" 
PRD_900020 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900021
# 
_pdbx_reference_molecule.prd_id                       PRD_900021 
_pdbx_reference_molecule.name                         beta-cellotriose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Metabolism 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H32 O16" 
_pdbx_reference_molecule.formula_weight               504.437 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   3PL3 
# 
_pdbx_reference_entity_list.prd_id          PRD_900021 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900021 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900021 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900021 1 1 BGC ? N Y 
PRD_900021 1 2 BGC ? N Y 
PRD_900021 1 3 BGC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900021 1 1 1 O4 BGC 1 C1 BGC 2 SING ? ? ? 
PRD_900021 1 1 2 O4 BGC 2 C1 BGC 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900021 2020-05-08 RCSB "Create molecule" 
PRD_900021 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900022
# 
_pdbx_reference_molecule.prd_id                       PRD_900022 
_pdbx_reference_molecule.name                         beta-acarbose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H43 N O18" 
_pdbx_reference_molecule.formula_weight               645.605 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   1DED 
# 
_pdbx_reference_entity_list.prd_id          PRD_900022 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900022 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900022 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900022 1 1 BGC ? N Y 
PRD_900022 1 2 GLC ? N Y 
PRD_900022 1 3 AC1 ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900022 1 1 1 O4 BGC 1 C1 GLC 2 SING ? ? ? 
PRD_900022 1 1 2 O4 GLC 2 C1 AC1 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900022 2020-05-08 RCSB "Create molecule" 
PRD_900022 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900023
# 
_pdbx_reference_molecule.prd_id                       PRD_900023 
_pdbx_reference_molecule.name                         alpha-cellobiose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Metabolism 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O11" 
_pdbx_reference_molecule.formula_weight               342.296 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   5GM9 
# 
_pdbx_reference_entity_list.prd_id          PRD_900023 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900023 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900023 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900023 1 1 GLC ? N Y 
PRD_900023 1 2 BGC ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900023 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          BGC 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900023 2020-05-08 RCSB "Create molecule" 
PRD_900023 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900024
# 
_pdbx_reference_molecule.prd_id                       PRD_900024 
_pdbx_reference_molecule.name                         beta-laminaribiose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antimicrobial 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O11" 
_pdbx_reference_molecule.formula_weight               342.296 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   4R2F 
# 
_pdbx_reference_entity_list.prd_id          PRD_900024 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900024 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900024 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900024 1 1 BGC ? N Y 
PRD_900024 1 2 BGC ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900024 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O3 
_pdbx_reference_entity_poly_link.comp_id_1          BGC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          BGC 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900024 2020-05-08 RCSB "Create molecule" 
PRD_900024 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900025
# 
_pdbx_reference_molecule.prd_id                       PRD_900025 
_pdbx_reference_molecule.name                         "3'-sialyl-alpha-lactose" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H39 N O19" 
_pdbx_reference_molecule.formula_weight               633.551 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   1S0I 
# 
_pdbx_reference_entity_list.prd_id          PRD_900025 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900025 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900025 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900025 1 1 GLC ? N Y 
PRD_900025 1 2 GAL ? N Y 
PRD_900025 1 3 SIA ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900025 1 1 1 O4 GLC 1 C1 GAL 2 SING ? ? ? 
PRD_900025 1 1 2 O3 GAL 2 C2 SIA 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900025 2020-05-08 RCSB "Create molecule" 
PRD_900025 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900026
# 
_pdbx_reference_molecule.prd_id                       PRD_900026 
_pdbx_reference_molecule.name                         "HEPARIN DISACCHARIDE I-S," 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H15 N O19 S3" 
_pdbx_reference_molecule.formula_weight               573.438 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with ring modification on monosaccharide components" 
_pdbx_reference_molecule.representative_PDB_id_code   1U4L 
# 
_pdbx_reference_entity_list.prd_id          PRD_900026 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900026 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900026 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900026 1 1 SGN ? N Y 
PRD_900026 1 2 UAP ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900026 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          SGN 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          UAP 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900026 2020-05-08 RCSB "Create molecule" 
PRD_900026 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900027
# 
_pdbx_reference_molecule.prd_id                       PRD_900027 
_pdbx_reference_molecule.name                         thiodigalactoside 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O10 S" 
_pdbx_reference_molecule.formula_weight               358.362 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with S-glycosidic bond between monosaccharides, and with reducing-end-to-reducing-end glycosidic bond" 
_pdbx_reference_molecule.representative_PDB_id_code   4OAA 
# 
_pdbx_reference_entity_list.prd_id          PRD_900027 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900027 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900027 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900027 1 1 GAL ? N Y 
PRD_900027 1 2 YIO ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900027 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          C1 
_pdbx_reference_entity_poly_link.comp_id_1          GAL 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          S1 
_pdbx_reference_entity_poly_link.comp_id_2          YIO 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900027 2020-05-08 RCSB "Create molecule" 
PRD_900027 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900028
# 
_pdbx_reference_molecule.prd_id                       PRD_900028 
_pdbx_reference_molecule.name                         fondaparinux 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Anticoagulant 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H53 N3 O49 S8" 
_pdbx_reference_molecule.formula_weight               1508.263 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   ? 
# 
_pdbx_reference_entity_list.prd_id          PRD_900028 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900028 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900028 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900028 1 1 ZDO ? N Y 
PRD_900028 1 2 IDS ? N Y 
PRD_900028 1 3 SUS ? N Y 
PRD_900028 1 4 BDP ? N Y 
PRD_900028 1 5 SGN ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900028 1 1 1 O4 ZDO 1 C1 IDS 2 SING ? ? ? 
PRD_900028 1 1 2 O4 IDS 2 C1 SUS 3 SING ? ? ? 
PRD_900028 1 1 3 O4 SUS 3 C1 BDP 4 SING ? ? ? 
PRD_900028 1 1 4 O4 BDP 4 C1 SGN 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900028 2020-05-08 RCSB "Create molecule" 
PRD_900028 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900029
# 
_pdbx_reference_molecule.prd_id                       PRD_900029 
_pdbx_reference_molecule.name                         1-kestose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H32 O16" 
_pdbx_reference_molecule.formula_weight               504.437 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with reducing-end-to-reducing-end glycosidic bond" 
_pdbx_reference_molecule.representative_PDB_id_code   5ZL4 
# 
_pdbx_reference_entity_list.prd_id          PRD_900029 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900029 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900029 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900029 1 1 GLC ? N Y 
PRD_900029 1 2 FRU ? N Y 
PRD_900029 1 3 FRU ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900029 1 1 1 C1 GLC 1 O2 FRU 2 SING ? ? ? 
PRD_900029 1 1 2 O1 FRU 2 C2 FRU 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900029 2020-05-08 RCSB "Create molecule" 
PRD_900029 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900030
# 
_pdbx_reference_molecule.prd_id                       PRD_900030 
_pdbx_reference_molecule.name                         alpha-maltopentaose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H52 O26" 
_pdbx_reference_molecule.formula_weight               828.718 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   5JBF 
# 
_pdbx_reference_entity_list.prd_id          PRD_900030 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900030 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900030 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900030 1 1 GLC ? N Y 
PRD_900030 1 2 GLC ? N Y 
PRD_900030 1 3 GLC ? N Y 
PRD_900030 1 4 GLC ? N Y 
PRD_900030 1 5 GLC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900030 1 1 1 O4 GLC 1 C1 GLC 2 SING ? ? ? 
PRD_900030 1 1 2 O4 GLC 2 C1 GLC 3 SING ? ? ? 
PRD_900030 1 1 3 O4 GLC 3 C1 GLC 4 SING ? ? ? 
PRD_900030 1 1 4 O4 GLC 4 C1 GLC 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900030 2020-05-08 RCSB "Create molecule" 
PRD_900030 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900031
# 
_pdbx_reference_molecule.prd_id                       PRD_900031 
_pdbx_reference_molecule.name                         "heparin pentasaccharide" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Anticoagulant 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H60 O55 S9" 
_pdbx_reference_molecule.formula_weight               1661.414 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   1E03 
# 
_pdbx_reference_entity_list.prd_id          PRD_900031 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900031 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900031 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900031 1 1 Z9L ? N Y 
PRD_900031 1 2 Z9K ? N Y 
PRD_900031 1 3 GU6 ? N Y 
PRD_900031 1 4 GU1 ? N Y 
PRD_900031 1 5 Z9H ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900031 1 1 1 O4 Z9L 1 C1 Z9K 2 SING ? ? ? 
PRD_900031 1 1 2 O4 Z9K 2 C1 GU6 3 SING ? ? ? 
PRD_900031 1 1 3 O4 GU6 3 C1 GU1 4 SING ? ? ? 
PRD_900031 1 1 4 O4 GU1 4 C1 Z9H 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900031 2020-05-08 RCSB "Create molecule" 
PRD_900031 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900032
# 
_pdbx_reference_molecule.prd_id                       PRD_900032 
_pdbx_reference_molecule.name                         "surcrose isoform" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O11" 
_pdbx_reference_molecule.formula_weight               342.296 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with reducing-end-to-reducing-end glycosidic bond" 
_pdbx_reference_molecule.representative_PDB_id_code   2XY5 
# 
_pdbx_reference_entity_list.prd_id          PRD_900032 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900032 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900032 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900032 1 1 GLC ? N Y 
PRD_900032 1 2 Z9N ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900032 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          C1 
_pdbx_reference_entity_poly_link.comp_id_1          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          O2 
_pdbx_reference_entity_poly_link.comp_id_2          Z9N 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900032 2020-05-08 RCSB "Create molecule" 
PRD_900032 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900033
# 
_pdbx_reference_molecule.prd_id                       PRD_900033 
_pdbx_reference_molecule.name                         "methyl 2-S-alpha-D-mannopyranosyl-2-thio-alpha-D-mannopyranoside" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C13 H24 O10 S" 
_pdbx_reference_molecule.formula_weight               372.389 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with S-glycosidic bond between monosaccharides" 
_pdbx_reference_molecule.representative_PDB_id_code   1X9D 
# 
_pdbx_reference_entity_list.prd_id          PRD_900033 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900033 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900033 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900033 1 1 Z5L ? N Y 
PRD_900033 1 2 MAN ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900033 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          S2 
_pdbx_reference_entity_poly_link.comp_id_1          Z5L 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          MAN 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900033 2020-05-08 RCSB "Create molecule" 
PRD_900033 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900034
# 
_pdbx_reference_molecule.prd_id                       PRD_900034 
_pdbx_reference_molecule.name                         thio-beta-cellobiose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O10 S" 
_pdbx_reference_molecule.formula_weight               358.362 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with S-glycosidic bond between monosaccharides" 
_pdbx_reference_molecule.representative_PDB_id_code   4IPM 
# 
_pdbx_reference_entity_list.prd_id          PRD_900034 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900034 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900034 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900034 1 1 SGC ? N Y 
PRD_900034 1 2 BGC ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900034 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          S4 
_pdbx_reference_entity_poly_link.comp_id_1          SGC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          BGC 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900034 2020-05-08 RCSB "Create molecule" 
PRD_900034 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900035
# 
_pdbx_reference_molecule.prd_id                       PRD_900035 
_pdbx_reference_molecule.name                         alpha-maltohexaose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H62 O31" 
_pdbx_reference_molecule.formula_weight               990.859 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   3K8L 
# 
_pdbx_reference_entity_list.prd_id          PRD_900035 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900035 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900035 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900035 1 1 GLC ? N Y 
PRD_900035 1 2 GLC ? N Y 
PRD_900035 1 3 GLC ? N Y 
PRD_900035 1 4 GLC ? N Y 
PRD_900035 1 5 GLC ? N Y 
PRD_900035 1 6 GLC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900035 1 1 1 O4 GLC 1 C1 GLC 2 SING ? ? ? 
PRD_900035 1 1 2 O4 GLC 2 C1 GLC 3 SING ? ? ? 
PRD_900035 1 1 3 O4 GLC 3 C1 GLC 4 SING ? ? ? 
PRD_900035 1 1 4 O4 GLC 4 C1 GLC 5 SING ? ? ? 
PRD_900035 1 1 5 O4 GLC 5 C1 GLC 6 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900035 2020-05-08 RCSB "Create molecule" 
PRD_900035 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900036
# 
_pdbx_reference_molecule.prd_id                       PRD_900036 
_pdbx_reference_molecule.name                         "H type 2 antigen, beta anomer" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H35 N O15" 
_pdbx_reference_molecule.formula_weight               529.490 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   1ZJ3 
# 
_pdbx_reference_entity_list.prd_id          PRD_900036 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900036 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900036 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900036 1 1 NAG ? N Y 
PRD_900036 1 2 GAL ? N Y 
PRD_900036 1 3 FUC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900036 1 1 1 O4 NAG 1 C1 GAL 2 SING ? ? ? 
PRD_900036 1 1 2 O2 GAL 2 C1 FUC 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900036 2020-05-08 RCSB "Create molecule" 
PRD_900036 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900037
# 
_pdbx_reference_molecule.prd_id                       PRD_900037 
_pdbx_reference_molecule.name                         alpha-melibiose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Metabolism 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O11" 
_pdbx_reference_molecule.formula_weight               342.296 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   6EPZ 
# 
_pdbx_reference_entity_list.prd_id          PRD_900037 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900037 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900037 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900037 1 1 GLC ? N Y 
PRD_900037 1 2 GLA ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900037 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O6 
_pdbx_reference_entity_poly_link.comp_id_1          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          GLA 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900037 2020-05-08 RCSB "Create molecule" 
PRD_900037 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900038
# 
_pdbx_reference_molecule.prd_id                       PRD_900038 
_pdbx_reference_molecule.name                         lactulose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "water retention" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O11" 
_pdbx_reference_molecule.formula_weight               342.296 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   6B94 
# 
_pdbx_reference_entity_list.prd_id          PRD_900038 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900038 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900038 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900038 1 1 FRU ? N Y 
PRD_900038 1 2 GAL ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900038 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          FRU 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          GAL 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900038 2020-05-08 RCSB "Create molecule" 
PRD_900038 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900039
# 
_pdbx_reference_molecule.prd_id                       PRD_900039 
_pdbx_reference_molecule.name                         trehalose-6-phosphate 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H23 O14 P" 
_pdbx_reference_molecule.formula_weight               422.276 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with reducing-end-to-reducing-end glycosidic bond" 
_pdbx_reference_molecule.representative_PDB_id_code   5K44 
# 
_pdbx_reference_entity_list.prd_id          PRD_900039 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900039 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900039 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900039 1 1 GLC ? N Y 
PRD_900039 1 2 G6P ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900039 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          C1 
_pdbx_reference_entity_poly_link.comp_id_1          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          O1 
_pdbx_reference_entity_poly_link.comp_id_2          G6P 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900039 2020-05-08 RCSB "Create molecule" 
PRD_900039 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900040
# 
_pdbx_reference_molecule.prd_id                       PRD_900040 
_pdbx_reference_molecule.name                         2-deoxy-2-fluoro-beta-cellotriose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H31 F O15" 
_pdbx_reference_molecule.formula_weight               506.428 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   1H11 
# 
_pdbx_reference_entity_list.prd_id          PRD_900040 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900040 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900040 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900040 1 1 G2F ? N Y 
PRD_900040 1 2 BGC ? N Y 
PRD_900040 1 3 BGC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900040 1 1 1 O4 G2F 1 C1 BGC 2 SING ? ? ? 
PRD_900040 1 1 2 O4 BGC 2 C1 BGC 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900040 2020-05-08 RCSB "Create molecule" 
PRD_900040 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900041
# 
_pdbx_reference_molecule.prd_id                       PRD_900041 
_pdbx_reference_molecule.name                         beta-allolactose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inducer 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O11" 
_pdbx_reference_molecule.formula_weight               342.296 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   1JZ8 
# 
_pdbx_reference_entity_list.prd_id          PRD_900041 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900041 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900041 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900041 1 1 BGC ? N Y 
PRD_900041 1 2 GAL ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900041 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O6 
_pdbx_reference_entity_poly_link.comp_id_1          BGC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          GAL 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900041 2020-05-08 RCSB "Create molecule" 
PRD_900041 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900042
# 
_pdbx_reference_molecule.prd_id                       PRD_900042 
_pdbx_reference_molecule.name                         gamma-cyclodextrin 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Drug delivery" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C48 H80 O40" 
_pdbx_reference_molecule.formula_weight               1297.125 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "cyclic oligosaccharide" 
_pdbx_reference_molecule.representative_PDB_id_code   5MKA 
# 
_pdbx_reference_entity_list.prd_id          PRD_900042 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900042 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900042 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900042 1 1 GLC ? N Y 
PRD_900042 1 2 GLC ? N Y 
PRD_900042 1 3 GLC ? N Y 
PRD_900042 1 4 GLC ? N Y 
PRD_900042 1 5 GLC ? N Y 
PRD_900042 1 6 GLC ? N Y 
PRD_900042 1 7 GLC ? N Y 
PRD_900042 1 8 GLC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900042 1 1 1 O4 GLC 1 C1 GLC 2 SING ? ? ? 
PRD_900042 1 1 2 C1 GLC 1 O4 GLC 8 SING ? ? ? 
PRD_900042 1 1 3 O4 GLC 2 C1 GLC 3 SING ? ? ? 
PRD_900042 1 1 4 O4 GLC 3 C1 GLC 4 SING ? ? ? 
PRD_900042 1 1 5 O4 GLC 4 C1 GLC 5 SING ? ? ? 
PRD_900042 1 1 6 O4 GLC 5 C1 GLC 6 SING ? ? ? 
PRD_900042 1 1 7 O4 GLC 6 C1 GLC 7 SING ? ? ? 
PRD_900042 1 1 8 O4 GLC 7 C1 GLC 8 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900042 2020-05-08 RCSB "Create molecule" 
PRD_900042 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900043
# 
_pdbx_reference_molecule.prd_id                       PRD_900043 
_pdbx_reference_molecule.name                         "octanoyl-sucrose, esterificated at glucose C6" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H36 O12" 
_pdbx_reference_molecule.formula_weight               468.493 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with reducing-end-to-reducing-end glycosidic bond" 
_pdbx_reference_molecule.representative_PDB_id_code   2FAF 
# 
_pdbx_reference_entity_list.prd_id          PRD_900043 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900043 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900043 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900043 1 1 TQY ? N Y 
PRD_900043 1 2 FRU ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900043 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          C1 
_pdbx_reference_entity_poly_link.comp_id_1          TQY 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          O2 
_pdbx_reference_entity_poly_link.comp_id_2          FRU 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900043 2020-05-08 RCSB "Create molecule" 
PRD_900043 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900044
# 
_pdbx_reference_molecule.prd_id                       PRD_900044 
_pdbx_reference_molecule.name                         nystose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H42 O21" 
_pdbx_reference_molecule.formula_weight               666.578 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with reducing-end-to-reducing-end glycosidic bond" 
_pdbx_reference_molecule.representative_PDB_id_code   5G60 
# 
_pdbx_reference_entity_list.prd_id          PRD_900044 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900044 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900044 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900044 1 1 GLC ? N Y 
PRD_900044 1 2 FRU ? N Y 
PRD_900044 1 3 FRU ? N Y 
PRD_900044 1 4 FRU ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900044 1 1 1 C1 GLC 1 O2 FRU 2 SING ? ? ? 
PRD_900044 1 1 2 O1 FRU 2 C2 FRU 3 SING ? ? ? 
PRD_900044 1 1 3 O1 FRU 3 C2 FRU 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900044 2020-05-08 RCSB "Create molecule" 
PRD_900044 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900045
# 
_pdbx_reference_molecule.prd_id                       PRD_900045 
_pdbx_reference_molecule.name                         "octanoyl-sucrose, esterificated at fructose C6" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H36 O12" 
_pdbx_reference_molecule.formula_weight               468.493 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with reducing-end-to-reducing-end glycosidic bond" 
_pdbx_reference_molecule.representative_PDB_id_code   1PYY 
# 
_pdbx_reference_entity_list.prd_id          PRD_900045 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900045 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900045 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900045 1 1 GLC ? N Y 
PRD_900045 1 2 TRV ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900045 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          C1 
_pdbx_reference_entity_poly_link.comp_id_1          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          O2 
_pdbx_reference_entity_poly_link.comp_id_2          TRV 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900045 2020-05-08 RCSB "Create molecule" 
PRD_900045 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900046
# 
_pdbx_reference_molecule.prd_id                       PRD_900046 
_pdbx_reference_molecule.name                         "6'-sialyl-N-acetyllactosamine" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Glycan component" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H42 N2 O19" 
_pdbx_reference_molecule.formula_weight               674.603 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   5BNO 
# 
_pdbx_reference_entity_list.prd_id          PRD_900046 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900046 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900046 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900046 1 1 NAG ? N Y 
PRD_900046 1 2 GAL ? N Y 
PRD_900046 1 3 SIA ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900046 1 1 1 O4 NAG 1 C1 GAL 2 SING ? ? ? 
PRD_900046 1 1 2 O6 GAL 2 C2 SIA 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900046 2020-05-08 RCSB "Create molecule" 
PRD_900046 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900047
# 
_pdbx_reference_molecule.prd_id                       PRD_900047 
_pdbx_reference_molecule.name                         beta-turanose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O11" 
_pdbx_reference_molecule.formula_weight               342.296 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   3UEQ 
# 
_pdbx_reference_entity_list.prd_id          PRD_900047 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900047 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900047 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900047 1 1 FRU ? N Y 
PRD_900047 1 2 GLC ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900047 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O3 
_pdbx_reference_entity_poly_link.comp_id_1          FRU 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900047 2020-05-08 RCSB "Create molecule" 
PRD_900047 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900048
# 
_pdbx_reference_molecule.prd_id                       PRD_900048 
_pdbx_reference_molecule.name                         2-deoxy-maltose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O10" 
_pdbx_reference_molecule.formula_weight               326.297 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   1BYD 
# 
_pdbx_reference_entity_list.prd_id          PRD_900048 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900048 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900048 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900048 1 1 RR7 ? N Y 
PRD_900048 1 2 GLC ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900048 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          RR7 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900048 2020-05-08 RCSB "Create molecule" 
PRD_900048 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900049
# 
_pdbx_reference_molecule.prd_id                       PRD_900049 
_pdbx_reference_molecule.name                         "H type 1 antigen, beta anomer" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H35 N O15" 
_pdbx_reference_molecule.formula_weight               529.490 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   1ZI5 
# 
_pdbx_reference_entity_list.prd_id          PRD_900049 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900049 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900049 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900049 1 1 NAG ? N Y 
PRD_900049 1 2 GAL ? N Y 
PRD_900049 1 3 FUC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900049 1 1 1 O3 NAG 1 C1 GAL 2 SING ? ? ? 
PRD_900049 1 1 2 O2 GAL 2 C1 FUC 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900049 2020-05-08 RCSB "Create molecule" 
PRD_900049 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900050
# 
_pdbx_reference_molecule.prd_id                       PRD_900050 
_pdbx_reference_molecule.name                         2-deoxy-2-fluoro-beta-cellobiose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H21 F O10" 
_pdbx_reference_molecule.formula_weight               344.288 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   1E0V 
# 
_pdbx_reference_entity_list.prd_id          PRD_900050 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900050 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900050 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900050 1 1 G2F ? N Y 
PRD_900050 1 2 BGC ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900050 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          G2F 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          BGC 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900050 2020-05-08 RCSB "Create molecule" 
PRD_900050 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900051
# 
_pdbx_reference_molecule.prd_id                       PRD_900051 
_pdbx_reference_molecule.name                         levanbiose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Metabolism 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O11" 
_pdbx_reference_molecule.formula_weight               342.296 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   4FFI 
# 
_pdbx_reference_entity_list.prd_id          PRD_900051 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900051 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900051 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900051 1 1 FRU ? N Y 
PRD_900051 1 2 FRU ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900051 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O6 
_pdbx_reference_entity_poly_link.comp_id_1          FRU 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C2 
_pdbx_reference_entity_poly_link.comp_id_2          FRU 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900051 2020-05-08 RCSB "Create molecule" 
PRD_900051 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900052
# 
_pdbx_reference_molecule.prd_id                       PRD_900052 
_pdbx_reference_molecule.name                         alpha-nigerose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O11" 
_pdbx_reference_molecule.formula_weight               342.296 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   5MAN 
# 
_pdbx_reference_entity_list.prd_id          PRD_900052 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900052 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900052 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900052 1 1 GLC ? N Y 
PRD_900052 1 2 GLC ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900052 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O3 
_pdbx_reference_entity_poly_link.comp_id_1          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900052 2020-05-08 RCSB "Create molecule" 
PRD_900052 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900053
# 
_pdbx_reference_molecule.prd_id                       PRD_900053 
_pdbx_reference_molecule.name                         beta-cellobiose-6-phosphate 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H23 O14 P" 
_pdbx_reference_molecule.formula_weight               422.276 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   5OKG 
# 
_pdbx_reference_entity_list.prd_id          PRD_900053 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900053 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900053 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900053 1 1 BGC ? N Y 
PRD_900053 1 2 BG6 ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900053 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          BGC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          BG6 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900053 2020-05-08 RCSB "Create molecule" 
PRD_900053 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900054
# 
_pdbx_reference_molecule.prd_id                       PRD_900054 
_pdbx_reference_molecule.name                         "Lewis Y antigen, beta anomer" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H45 N O19" 
_pdbx_reference_molecule.formula_weight               675.631 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with branches" 
_pdbx_reference_molecule.representative_PDB_id_code   4GWI 
# 
_pdbx_reference_entity_list.prd_id          PRD_900054 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900054 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900054 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900054 1 1 NAG ? N Y 
PRD_900054 1 2 GAL ? N Y 
PRD_900054 1 3 FUC ? N Y 
PRD_900054 1 4 FUC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900054 1 1 1 O3 NAG 1 C1 FUC 4 SING ? ? ? 
PRD_900054 1 1 2 O4 NAG 1 C1 GAL 2 SING ? ? ? 
PRD_900054 1 1 3 O2 GAL 2 C1 FUC 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900054 2020-05-08 RCSB "Create molecule" 
PRD_900054 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900055
# 
_pdbx_reference_molecule.prd_id                       PRD_900055 
_pdbx_reference_molecule.name                         6-O-alpha-D-Glucosyl-beta-cyclodextrin 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Drug delivery" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C48 H80 O40" 
_pdbx_reference_molecule.formula_weight               1297.125 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "cyclic oligosaccharide" 
_pdbx_reference_molecule.representative_PDB_id_code   4YEE 
# 
_pdbx_reference_entity_list.prd_id          PRD_900055 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900055 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900055 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900055 1 1 GLC ? N Y 
PRD_900055 1 2 GLC ? N Y 
PRD_900055 1 3 GLC ? N Y 
PRD_900055 1 4 GLC ? N Y 
PRD_900055 1 5 GLC ? N Y 
PRD_900055 1 6 GLC ? N Y 
PRD_900055 1 7 GLC ? N Y 
PRD_900055 1 8 GLC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900055 1 1 1 C1 GLC 1 O4 GLC 7 SING ? ? ? 
PRD_900055 1 1 2 O4 GLC 1 C1 GLC 2 SING ? ? ? 
PRD_900055 1 1 3 O4 GLC 2 C1 GLC 3 SING ? ? ? 
PRD_900055 1 1 4 O4 GLC 3 C1 GLC 4 SING ? ? ? 
PRD_900055 1 1 5 O4 GLC 4 C1 GLC 5 SING ? ? ? 
PRD_900055 1 1 6 O4 GLC 5 C1 GLC 6 SING ? ? ? 
PRD_900055 1 1 7 O4 GLC 6 C1 GLC 7 SING ? ? ? 
PRD_900055 1 1 8 O6 GLC 7 C1 GLC 8 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900055 2020-05-08 RCSB "Create molecule" 
PRD_900055 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900056
# 
_pdbx_reference_molecule.prd_id                       PRD_900056 
_pdbx_reference_molecule.name                         1-FRUCTOFURANOSYL-D-NYSTOSE 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H52 O26" 
_pdbx_reference_molecule.formula_weight               828.718 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with reducing-end-to-reducing-end glycosidic bond" 
_pdbx_reference_molecule.representative_PDB_id_code   5G61 
# 
_pdbx_reference_entity_list.prd_id          PRD_900056 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900056 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900056 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900056 1 1 ZEE ? N Y 
PRD_900056 1 2 UEA ? N Y 
PRD_900056 1 3 FRU ? N Y 
PRD_900056 1 4 FRU ? N Y 
PRD_900056 1 5 FRU ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900056 1 1 1 C1 ZEE 1 O2 UEA 2 SING ? ? ? 
PRD_900056 1 1 2 O1 UEA 2 C2 FRU 3 SING ? ? ? 
PRD_900056 1 1 3 O1 FRU 3 C2 FRU 4 SING ? ? ? 
PRD_900056 1 1 4 O1 FRU 4 C2 FRU 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900056 2020-05-08 RCSB "Create molecule" 
PRD_900056 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900057
# 
_pdbx_reference_molecule.prd_id                       PRD_900057 
_pdbx_reference_molecule.name                         sucrose-6-phosphate 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H23 O14 P" 
_pdbx_reference_molecule.formula_weight               422.276 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with reducing-end-to-reducing-end glycosidic bond" 
_pdbx_reference_molecule.representative_PDB_id_code   1U2T 
# 
_pdbx_reference_entity_list.prd_id          PRD_900057 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900057 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900057 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900057 1 1 GLC ? N Y 
PRD_900057 1 2 F6P ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900057 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          C1 
_pdbx_reference_entity_poly_link.comp_id_1          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          O2 
_pdbx_reference_entity_poly_link.comp_id_2          F6P 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900057 2020-05-08 RCSB "Create molecule" 
PRD_900057 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900058
# 
_pdbx_reference_molecule.prd_id                       PRD_900058 
_pdbx_reference_molecule.name                         "UNSATURATED CHONDROITIN DISACCHARIDE" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C14 H21 N O11" 
_pdbx_reference_molecule.formula_weight               379.317 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with ring modification on monosaccharide components" 
_pdbx_reference_molecule.representative_PDB_id_code   2AHG 
# 
_pdbx_reference_entity_list.prd_id          PRD_900058 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900058 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900058 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900058 1 1 NGA ? N Y 
PRD_900058 1 2 GCD ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900058 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O3 
_pdbx_reference_entity_poly_link.comp_id_1          NGA 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          GCD 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900058 2020-05-08 RCSB "Create molecule" 
PRD_900058 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900059
# 
_pdbx_reference_molecule.prd_id                       PRD_900059 
_pdbx_reference_molecule.name                         "agrocinopine A" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C17 H31 O18 P" 
_pdbx_reference_molecule.formula_weight               554.391 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with Phosphate connecting between monosaccharides" 
_pdbx_reference_molecule.representative_PDB_id_code   4OUP 
# 
_pdbx_reference_entity_list.prd_id          PRD_900059 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900059 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900059 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900059 1 1 4GL ? N Y 
PRD_900059 1 2 TT7 ? N Y 
PRD_900059 1 3 ARA ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900059 1 1 1 C1 4GL 1 O2 TT7 2 SING ? ? ? 
PRD_900059 1 1 2 P4 TT7 2 O2 ARA 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900059 2020-05-08 RCSB "Create molecule" 
PRD_900059 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900060
# 
_pdbx_reference_molecule.prd_id                       PRD_900060 
_pdbx_reference_molecule.name                         "acarbose-derived hexasaccharide" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H63 N O29" 
_pdbx_reference_molecule.formula_weight               973.875 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with N-glycosidic bond between monosaccharides" 
_pdbx_reference_molecule.representative_PDB_id_code   1QHO 
# 
_pdbx_reference_entity_list.prd_id          PRD_900060 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900060 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900060 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900060 1 1 BGC ? N Y 
PRD_900060 1 2 GLC ? N Y 
PRD_900060 1 3 AGL ? N Y 
PRD_900060 1 4 GLC ? N Y 
PRD_900060 1 5 GLC ? N Y 
PRD_900060 1 6 GLC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900060 1 1 1 O4 BGC 1 C1 GLC 2 SING ? ? ? 
PRD_900060 1 1 2 O4 GLC 2 C1 AGL 3 SING ? ? ? 
PRD_900060 1 1 3 N4 AGL 3 C1 GLC 4 SING ? ? ? 
PRD_900060 1 1 4 O4 GLC 4 C1 GLC 5 SING ? ? ? 
PRD_900060 1 1 5 O4 GLC 5 C1 GLC 6 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900060 2020-05-08 RCSB "Create molecule" 
PRD_900060 2020-07-29 RCSB "Initial release" 
PRD_900060 2020-08-05 RCSB "Modify sequence" 
# 
data_PRD_900061
# 
_pdbx_reference_molecule.prd_id                       PRD_900061 
_pdbx_reference_molecule.name                         dihydro-alpha-acarbose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H45 N O18" 
_pdbx_reference_molecule.formula_weight               647.621 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   1GAI 
# 
_pdbx_reference_entity_list.prd_id          PRD_900061 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900061 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900061 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900061 1 1 GLC ? N Y 
PRD_900061 1 2 GLC ? N Y 
PRD_900061 1 3 RY7 ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900061 1 1 1 O4 GLC 1 C1 GLC 2 SING ? ? ? 
PRD_900061 1 1 2 O4 GLC 2 C1 RY7 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900061 2020-05-08 RCSB "Create molecule" 
PRD_900061 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900062
# 
_pdbx_reference_molecule.prd_id                       PRD_900062 
_pdbx_reference_molecule.name                         beta-isoacarbose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H43 N O18" 
_pdbx_reference_molecule.formula_weight               645.605 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   1XCX 
# 
_pdbx_reference_entity_list.prd_id          PRD_900062 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900062 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900062 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900062 1 1 BGC ? N Y 
PRD_900062 1 2 GLC ? N Y 
PRD_900062 1 3 AC1 ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900062 1 1 1 O6 BGC 1 C1 GLC 2 SING ? ? ? 
PRD_900062 1 1 2 O4 GLC 2 C1 AC1 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900062 2020-05-08 RCSB "Create molecule" 
PRD_900062 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900063
# 
_pdbx_reference_molecule.prd_id                       PRD_900063 
_pdbx_reference_molecule.name                         levantriose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Metabolism 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H32 O16" 
_pdbx_reference_molecule.formula_weight               504.437 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   4FFI 
# 
_pdbx_reference_entity_list.prd_id          PRD_900063 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900063 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900063 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900063 1 1 FRU ? N Y 
PRD_900063 1 2 FRU ? N Y 
PRD_900063 1 3 FRU ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900063 1 1 1 O6 FRU 1 C2 FRU 2 SING ? ? ? 
PRD_900063 1 1 2 O6 FRU 2 C2 FRU 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900063 2020-05-08 RCSB "Create molecule" 
PRD_900063 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900064
# 
_pdbx_reference_molecule.prd_id                       PRD_900064 
_pdbx_reference_molecule.name                         2-deoxy-2-fluoro-beta-lactose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H21 F O10" 
_pdbx_reference_molecule.formula_weight               344.288 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   4V44 
# 
_pdbx_reference_entity_list.prd_id          PRD_900064 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900064 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900064 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900064 1 1 BGC ? N Y 
PRD_900064 1 2 2FG ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900064 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          BGC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          2FG 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900064 2020-05-08 RCSB "Create molecule" 
PRD_900064 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900065
# 
_pdbx_reference_molecule.prd_id                       PRD_900065 
_pdbx_reference_molecule.name                         beta-maltotriose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H32 O16" 
_pdbx_reference_molecule.formula_weight               504.437 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   4QRZ 
# 
_pdbx_reference_entity_list.prd_id          PRD_900065 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900065 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900065 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900065 1 1 BGC ? N Y 
PRD_900065 1 2 GLC ? N Y 
PRD_900065 1 3 GLC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900065 1 1 1 O4 BGC 1 C1 GLC 2 SING ? ? ? 
PRD_900065 1 1 2 O4 GLC 2 C1 GLC 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900065 2020-05-08 RCSB "Create molecule" 
PRD_900065 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900066
# 
_pdbx_reference_molecule.prd_id                       PRD_900066 
_pdbx_reference_molecule.name                         "6'-sialyl-lactose" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C23 H39 N O19" 
_pdbx_reference_molecule.formula_weight               633.551 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   5BNN 
# 
_pdbx_reference_entity_list.prd_id          PRD_900066 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900066 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900066 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900066 1 1 BGC ? N Y 
PRD_900066 1 2 GAL ? N Y 
PRD_900066 1 3 SIA ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900066 1 1 1 O4 BGC 1 C1 GAL 2 SING ? ? ? 
PRD_900066 1 1 2 O6 GAL 2 C2 SIA 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900066 2020-05-08 RCSB "Create molecule" 
PRD_900066 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900067
# 
_pdbx_reference_molecule.prd_id                       PRD_900067 
_pdbx_reference_molecule.name                         "3'-sialyl-N-acetyllactosamine" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H42 N2 O19" 
_pdbx_reference_molecule.formula_weight               674.603 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   5BNP 
# 
_pdbx_reference_entity_list.prd_id          PRD_900067 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900067 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900067 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900067 1 1 NAG ? N Y 
PRD_900067 1 2 GAL ? N Y 
PRD_900067 1 3 SIA ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900067 1 1 1 O4 NAG 1 C1 GAL 2 SING ? ? ? 
PRD_900067 1 1 2 O3 GAL 2 C2 SIA 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900067 2020-05-08 RCSB "Create molecule" 
PRD_900067 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900068
# 
_pdbx_reference_molecule.prd_id                       PRD_900068 
_pdbx_reference_molecule.name                         "lactose-3'-sulfate" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Glycan component" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O14 S" 
_pdbx_reference_molecule.formula_weight               422.360 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   5DUW 
# 
_pdbx_reference_entity_list.prd_id          PRD_900068 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900068 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900068 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900068 1 1 BGC ? N Y 
PRD_900068 1 2 SGA ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900068 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          BGC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          SGA 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900068 2020-05-08 RCSB "Create molecule" 
PRD_900068 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900069
# 
_pdbx_reference_molecule.prd_id                       PRD_900069 
_pdbx_reference_molecule.name                         "gentiobiose 6-phosphate" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H23 O14 P" 
_pdbx_reference_molecule.formula_weight               422.276 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   4GPN 
# 
_pdbx_reference_entity_list.prd_id          PRD_900069 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900069 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900069 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900069 1 1 BGC ? N Y 
PRD_900069 1 2 BG6 ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900069 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O6 
_pdbx_reference_entity_poly_link.comp_id_1          BGC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          BG6 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900069 2020-05-08 RCSB "Create molecule" 
PRD_900069 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900070
# 
_pdbx_reference_molecule.prd_id                       PRD_900070 
_pdbx_reference_molecule.name                         "2'-fucosyllactose" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Glycan component" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H32 O15" 
_pdbx_reference_molecule.formula_weight               488.438 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   5UFF 
# 
_pdbx_reference_entity_list.prd_id          PRD_900070 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900070 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900070 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900070 1 1 BGC ? N Y 
PRD_900070 1 2 GAL ? N Y 
PRD_900070 1 3 FUC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900070 1 1 1 O4 BGC 1 C1 GAL 2 SING ? ? ? 
PRD_900070 1 1 2 O2 GAL 2 C1 FUC 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900070 2020-05-08 RCSB "Create molecule" 
PRD_900070 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900071
# 
_pdbx_reference_molecule.prd_id                       PRD_900071 
_pdbx_reference_molecule.name                         "Heparan sulfate disaccharide" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Protein binding" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O26 S5" 
_pdbx_reference_molecule.formula_weight               742.612 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   5OCA 
# 
_pdbx_reference_entity_list.prd_id          PRD_900071 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900071 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900071 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900071 1 1 TWD ? N Y 
PRD_900071 1 2 TWA ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900071 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O6 
_pdbx_reference_entity_poly_link.comp_id_1          TWD 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          TWA 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900071 2020-05-08 RCSB "Create molecule" 
PRD_900071 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900072
# 
_pdbx_reference_molecule.prd_id                       PRD_900072 
_pdbx_reference_molecule.name                         beta-cellooctaose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Metabolism 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C48 H82 O41" 
_pdbx_reference_molecule.formula_weight               1315.140 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   2EQD 
# 
_pdbx_reference_entity_list.prd_id          PRD_900072 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900072 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900072 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900072 1 1 BGC ? N Y 
PRD_900072 1 2 BGC ? N Y 
PRD_900072 1 3 BGC ? N Y 
PRD_900072 1 4 BGC ? N Y 
PRD_900072 1 5 BGC ? N Y 
PRD_900072 1 6 BGC ? N Y 
PRD_900072 1 7 BGC ? N Y 
PRD_900072 1 8 BGC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900072 1 1 1 O4 BGC 1 C1 BGC 2 SING ? ? ? 
PRD_900072 1 1 2 O4 BGC 2 C1 BGC 3 SING ? ? ? 
PRD_900072 1 1 3 O4 BGC 3 C1 BGC 4 SING ? ? ? 
PRD_900072 1 1 4 O4 BGC 4 C1 BGC 5 SING ? ? ? 
PRD_900072 1 1 5 O4 BGC 5 C1 BGC 6 SING ? ? ? 
PRD_900072 1 1 6 O4 BGC 6 C1 BGC 7 SING ? ? ? 
PRD_900072 1 1 7 O4 BGC 7 C1 BGC 8 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900072 2020-05-08 RCSB "Create molecule" 
PRD_900072 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900073
# 
_pdbx_reference_molecule.prd_id                       PRD_900073 
_pdbx_reference_molecule.name                         3-Deoxy-3-fluoro-maltose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H21 F O10" 
_pdbx_reference_molecule.formula_weight               344.288 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   6F9L 
# 
_pdbx_reference_entity_list.prd_id          PRD_900073 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900073 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900073 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900073 1 1 TUP ? N Y 
PRD_900073 1 2 GLC ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900073 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          TUP 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900073 2020-05-08 RCSB "Create molecule" 
PRD_900073 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900074
# 
_pdbx_reference_molecule.prd_id                       PRD_900074 
_pdbx_reference_molecule.name                         4-deoxy-beta-lactose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O10" 
_pdbx_reference_molecule.formula_weight               326.297 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   1GA8 
# 
_pdbx_reference_entity_list.prd_id          PRD_900074 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900074 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900074 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900074 1 1 BGC ? N Y 
PRD_900074 1 2 Z9D ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900074 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          BGC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          Z9D 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900074 2020-05-08 RCSB "Create molecule" 
PRD_900074 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900075
# 
_pdbx_reference_molecule.prd_id                       PRD_900075 
_pdbx_reference_molecule.name                         "N,N'-diacetyllactosediamine" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Glycan component" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H31 N5 O11" 
_pdbx_reference_molecule.formula_weight               493.466 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   3NBE 
# 
_pdbx_reference_entity_list.prd_id          PRD_900075 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900075 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900075 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900075 1 1 Z3Q ? N Y 
PRD_900075 1 2 NGA ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900075 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          Z3Q 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          NGA 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900075 2020-05-08 RCSB "Create molecule" 
PRD_900075 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900076
# 
_pdbx_reference_molecule.prd_id                       PRD_900076 
_pdbx_reference_molecule.name                         "Beta-Methyl Lactoside" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Glycan component" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C13 H24 O11" 
_pdbx_reference_molecule.formula_weight               356.323 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   2A8U 
# 
_pdbx_reference_entity_list.prd_id          PRD_900076 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900076 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900076 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900076 1 1 MGL ? N Y 
PRD_900076 1 2 GAL ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900076 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          MGL 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          GAL 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900076 2020-05-08 RCSB "Create molecule" 
PRD_900076 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900077
# 
_pdbx_reference_molecule.prd_id                       PRD_900077 
_pdbx_reference_molecule.name                         1,2,2-trifluoromaltose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H19 F3 O9" 
_pdbx_reference_molecule.formula_weight               364.269 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   4U2Z 
# 
_pdbx_reference_entity_list.prd_id          PRD_900077 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900077 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900077 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900077 1 1 TW7 ? N Y 
PRD_900077 1 2 GLC ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900077 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          TW7 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900077 2020-05-08 RCSB "Create molecule" 
PRD_900077 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900078
# 
_pdbx_reference_molecule.prd_id                       PRD_900078 
_pdbx_reference_molecule.name                         "alpha-maltose 1-phosphate" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H23 O14 P" 
_pdbx_reference_molecule.formula_weight               422.276 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   4CN1 
# 
_pdbx_reference_entity_list.prd_id          PRD_900078 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900078 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900078 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900078 1 1 G1P ? N Y 
PRD_900078 1 2 GLC ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900078 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          G1P 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900078 2020-05-08 RCSB "Create molecule" 
PRD_900078 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900079
# 
_pdbx_reference_molecule.prd_id                       PRD_900079 
_pdbx_reference_molecule.name                         "heparin heptasaccharide" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Anticoagulant 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C55 H98 O54 S6" 
_pdbx_reference_molecule.formula_weight               1815.724 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   1SR5 
# 
_pdbx_reference_entity_list.prd_id          PRD_900079 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900079 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900079 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900079 1 1 YYB ? N Y 
PRD_900079 1 2 U9J ? N Y 
PRD_900079 1 3 GU6 ? N Y 
PRD_900079 1 4 U9M ? N Y 
PRD_900079 1 5 U9G ? N Y 
PRD_900079 1 6 GU8 ? N Y 
PRD_900079 1 7 U9D ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900079 1 1 1 O4 YYB 1 C1 U9J 2 SING ? ? ? 
PRD_900079 1 1 2 O4 U9J 2 C1 GU6 3 SING ? ? ? 
PRD_900079 1 1 3 O4 GU6 3 C1 U9M 4 SING ? ? ? 
PRD_900079 1 1 4 O4 U9M 4 C1 U9G 5 SING ? ? ? 
PRD_900079 1 1 5 O4 U9G 5 C1 GU8 6 SING ? ? ? 
PRD_900079 1 1 6 O4 GU8 6 C1 U9D 7 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900079 2020-05-08 RCSB "Create molecule" 
PRD_900079 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900080
# 
_pdbx_reference_molecule.prd_id                       PRD_900080 
_pdbx_reference_molecule.name                         TMG-chitotriomycin 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C33 H59 N4 O20" 
_pdbx_reference_molecule.formula_weight               831.836 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   3VTR 
# 
_pdbx_reference_entity_list.prd_id          PRD_900080 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900080 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900080 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900080 1 1 NAG ? N Y 
PRD_900080 1 2 NAG ? N Y 
PRD_900080 1 3 NAG ? N Y 
PRD_900080 1 4 TMX ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900080 1 1 1 O4 NAG 1 C1 NAG 2 SING ? ? ? 
PRD_900080 1 1 2 O4 NAG 2 C1 NAG 3 SING ? ? ? 
PRD_900080 1 1 3 O4 NAG 3 C1 TMX 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900080 2020-05-08 RCSB "Create molecule" 
PRD_900080 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900081
# 
_pdbx_reference_molecule.prd_id                       PRD_900081 
_pdbx_reference_molecule.name                         alpha-turanose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O11" 
_pdbx_reference_molecule.formula_weight               342.296 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   3UER 
# 
_pdbx_reference_entity_list.prd_id          PRD_900081 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900081 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900081 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900081 1 1 Z9N ? N Y 
PRD_900081 1 2 GLC ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900081 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O3 
_pdbx_reference_entity_poly_link.comp_id_1          Z9N 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900081 2020-05-08 RCSB "Create molecule" 
PRD_900081 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900082
# 
_pdbx_reference_molecule.prd_id                       PRD_900082 
_pdbx_reference_molecule.name                         2-deoxy-2-fluoro-beta-D-cellobiose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H21 F O10" 
_pdbx_reference_molecule.formula_weight               344.288 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   4V20 
# 
_pdbx_reference_entity_list.prd_id          PRD_900082 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900082 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900082 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900082 1 1 SHG ? N Y 
PRD_900082 1 2 BGC ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900082 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          SHG 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          BGC 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900082 2020-05-08 RCSB "Create molecule" 
PRD_900082 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900083
# 
_pdbx_reference_molecule.prd_id                       PRD_900083 
_pdbx_reference_molecule.name                         "Forssman antigen fragment" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C16 H28 N2 O11" 
_pdbx_reference_molecule.formula_weight               424.400 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   2CGY 
# 
_pdbx_reference_entity_list.prd_id          PRD_900083 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900083 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900083 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900083 1 1 NGA ? N Y 
PRD_900083 1 2 A2G ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900083 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O3 
_pdbx_reference_entity_poly_link.comp_id_1          NGA 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          A2G 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900083 2020-05-08 RCSB "Create molecule" 
PRD_900083 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900084
# 
_pdbx_reference_molecule.prd_id                       PRD_900084 
_pdbx_reference_molecule.name                         "Thomsen-Friedenreich antigen" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C14 H25 N O11" 
_pdbx_reference_molecule.formula_weight               383.348 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   6AOX 
# 
_pdbx_reference_entity_list.prd_id          PRD_900084 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900084 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900084 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900084 1 1 A2G ? N Y 
PRD_900084 1 2 GAL ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900084 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O3 
_pdbx_reference_entity_poly_link.comp_id_1          A2G 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          GAL 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900084 2020-05-08 RCSB "Create molecule" 
PRD_900084 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900085
# 
_pdbx_reference_molecule.prd_id                       PRD_900085 
_pdbx_reference_molecule.name                         "Lewis B antigen, alpha anomer" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H45 N O19" 
_pdbx_reference_molecule.formula_weight               675.631 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with branches" 
_pdbx_reference_molecule.representative_PDB_id_code   3LEK 
# 
_pdbx_reference_entity_list.prd_id          PRD_900085 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900085 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900085 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900085 1 1 NDG ? N Y 
PRD_900085 1 2 GAL ? N Y 
PRD_900085 1 3 FUC ? N Y 
PRD_900085 1 4 FUC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900085 1 1 1 O3 NDG 1 C1 GAL 2 SING ? ? ? 
PRD_900085 1 1 2 O4 NDG 1 C1 FUC 4 SING ? ? ? 
PRD_900085 1 1 3 O2 GAL 2 C1 FUC 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900085 2020-05-08 RCSB "Create molecule" 
PRD_900085 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900086
# 
_pdbx_reference_molecule.prd_id                       PRD_900086 
_pdbx_reference_molecule.name                         methyl-beta-cyclodextrin 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Drug delivery" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C49 H84 O35" 
_pdbx_reference_molecule.formula_weight               1233.170 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "cyclic oligosaccharide" 
_pdbx_reference_molecule.representative_PDB_id_code   2QKH 
# 
_pdbx_reference_entity_list.prd_id          PRD_900086 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900086 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900086 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900086 1 1 ZB1 ? N Y 
PRD_900086 1 2 GLC ? N Y 
PRD_900086 1 3 GLC ? N Y 
PRD_900086 1 4 ZB2 ? N Y 
PRD_900086 1 5 ZB3 ? N Y 
PRD_900086 1 6 ZB2 ? N Y 
PRD_900086 1 7 ZB0 ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900086 1 1 1 O4 ZB1 1 C1 GLC 2 SING ? ? ? 
PRD_900086 1 1 2 C1 ZB1 1 O4 ZB0 7 SING ? ? ? 
PRD_900086 1 1 3 O4 GLC 2 C1 GLC 3 SING ? ? ? 
PRD_900086 1 1 4 O4 GLC 3 C1 ZB2 4 SING ? ? ? 
PRD_900086 1 1 5 O4 ZB2 4 C1 ZB3 5 SING ? ? ? 
PRD_900086 1 1 6 O4 ZB3 5 C1 ZB2 6 SING ? ? ? 
PRD_900086 1 1 7 O4 ZB2 6 C1 ZB0 7 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900086 2020-05-08 RCSB "Create molecule" 
PRD_900086 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900087
# 
_pdbx_reference_molecule.prd_id                       PRD_900087 
_pdbx_reference_molecule.name                         alpha-maltose-c-phosphonate 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C13 H25 O13 P" 
_pdbx_reference_molecule.formula_weight               420.304 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   4U31 
# 
_pdbx_reference_entity_list.prd_id          PRD_900087 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900087 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900087 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900087 1 1 GPM ? N Y 
PRD_900087 1 2 GLC ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900087 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          GPM 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900087 2020-05-08 RCSB "Create molecule" 
PRD_900087 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900088
# 
_pdbx_reference_molecule.prd_id                       PRD_900088 
_pdbx_reference_molecule.name                         6-kestose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H32 O16" 
_pdbx_reference_molecule.formula_weight               504.437 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with reducing-end-to-reducing-end glycosidic bond" 
_pdbx_reference_molecule.representative_PDB_id_code   3UGH 
# 
_pdbx_reference_entity_list.prd_id          PRD_900088 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900088 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900088 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900088 1 1 GLC ? N Y 
PRD_900088 1 2 FRU ? N Y 
PRD_900088 1 3 FRU ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900088 1 1 1 C1 GLC 1 O2 FRU 2 SING ? ? ? 
PRD_900088 1 1 2 O6 FRU 2 C2 FRU 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900088 2020-05-08 RCSB "Create molecule" 
PRD_900088 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900089
# 
_pdbx_reference_molecule.prd_id                       PRD_900089 
_pdbx_reference_molecule.name                         "octanoyl-sucrose, esterificated at glucose C3" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H36 O12" 
_pdbx_reference_molecule.formula_weight               468.493 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with reducing-end-to-reducing-end glycosidic bond" 
_pdbx_reference_molecule.representative_PDB_id_code   1T3I 
# 
_pdbx_reference_entity_list.prd_id          PRD_900089 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900089 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900089 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900089 1 1 TU4 ? N Y 
PRD_900089 1 2 FRU ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900089 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          C1 
_pdbx_reference_entity_poly_link.comp_id_1          TU4 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          O2 
_pdbx_reference_entity_poly_link.comp_id_2          FRU 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900089 2020-05-08 RCSB "Create molecule" 
PRD_900089 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900090
# 
_pdbx_reference_molecule.prd_id                       PRD_900090 
_pdbx_reference_molecule.name                         sucralose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H19 Cl3 O8" 
_pdbx_reference_molecule.formula_weight               397.633 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with reducing-end-to-reducing-end glycosidic bond" 
_pdbx_reference_molecule.representative_PDB_id_code   4RZT 
# 
_pdbx_reference_entity_list.prd_id          PRD_900090 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900090 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900090 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900090 1 1 RRY ? N Y 
PRD_900090 1 2 RRJ ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900090 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O2 
_pdbx_reference_entity_poly_link.comp_id_1          RRY 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          RRJ 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900090 2020-05-08 RCSB "Create molecule" 
PRD_900090 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900091
# 
_pdbx_reference_molecule.prd_id                       PRD_900091 
_pdbx_reference_molecule.name                         6-butanoyl-trehalose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C16 H28 O12" 
_pdbx_reference_molecule.formula_weight               412.386 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with reducing-end-to-reducing-end glycosidic bond" 
_pdbx_reference_molecule.representative_PDB_id_code   4ZRV 
# 
_pdbx_reference_entity_list.prd_id          PRD_900091 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900091 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900091 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900091 1 1 GLC ? N Y 
PRD_900091 1 2 U8V ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900091 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          C1 
_pdbx_reference_entity_poly_link.comp_id_1          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          O1 
_pdbx_reference_entity_poly_link.comp_id_2          U8V 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900091 2020-05-08 RCSB "Create molecule" 
PRD_900091 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900092
# 
_pdbx_reference_molecule.prd_id                       PRD_900092 
_pdbx_reference_molecule.name                         stachyose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Nutrient 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C24 H42 O21" 
_pdbx_reference_molecule.formula_weight               666.578 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with reducing-end-to-reducing-end glycosidic bond" 
_pdbx_reference_molecule.representative_PDB_id_code   6EQ1 
# 
_pdbx_reference_entity_list.prd_id          PRD_900092 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900092 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900092 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900092 1 1 TTV ? N Y 
PRD_900092 1 2 GLC ? N Y 
PRD_900092 1 3 ZCD ? N Y 
PRD_900092 1 4 GLA ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900092 1 1 1 O2 TTV 1 C1 GLC 2 SING ? ? ? 
PRD_900092 1 1 2 O6 GLC 2 C1 ZCD 3 SING ? ? ? 
PRD_900092 1 1 3 O6 ZCD 3 C1 GLA 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900092 2020-05-08 RCSB "Create molecule" 
PRD_900092 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900093
# 
_pdbx_reference_molecule.prd_id                       PRD_900093 
_pdbx_reference_molecule.name                         6-decanoyl-trehalose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C22 H40 O12" 
_pdbx_reference_molecule.formula_weight               496.546 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with reducing-end-to-reducing-end glycosidic bond" 
_pdbx_reference_molecule.representative_PDB_id_code   6MNA 
# 
_pdbx_reference_entity_list.prd_id          PRD_900093 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900093 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900093 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900093 1 1 U2D ? N Y 
PRD_900093 1 2 GLC ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900093 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          C1 
_pdbx_reference_entity_poly_link.comp_id_1          U2D 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          O1 
_pdbx_reference_entity_poly_link.comp_id_2          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900093 2020-05-08 RCSB "Create molecule" 
PRD_900093 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900094
# 
_pdbx_reference_molecule.prd_id                       PRD_900094 
_pdbx_reference_molecule.name                         "HEPARIN DISACCHARIDE III-S" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H16 N O16 S2" 
_pdbx_reference_molecule.formula_weight               494.383 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with ring modification on monosaccharide components" 
_pdbx_reference_molecule.representative_PDB_id_code   1U4M 
# 
_pdbx_reference_entity_list.prd_id          PRD_900094 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900094 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900094 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900094 1 1 GNS ? N Y 
PRD_900094 1 2 UAP ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900094 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          GNS 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          UAP 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900094 2020-05-08 RCSB "Create molecule" 
PRD_900094 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900095
# 
_pdbx_reference_molecule.prd_id                       PRD_900095 
_pdbx_reference_molecule.name                         hemithiocellodextrin 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H52 O23 S3" 
_pdbx_reference_molecule.formula_weight               876.915 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with S-glycosidic bond between monosaccharides" 
_pdbx_reference_molecule.representative_PDB_id_code   4FG4 
# 
_pdbx_reference_entity_list.prd_id          PRD_900095 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900095 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900095 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900095 1 1 GS1 ? N Y 
PRD_900095 1 2 SGC ? N Y 
PRD_900095 1 3 BGC ? N Y 
PRD_900095 1 4 SGC ? N Y 
PRD_900095 1 5 BGC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900095 1 1 1 O4 GS1 1 C1 SGC 2 SING ? ? ? 
PRD_900095 1 1 2 S4 SGC 2 C1 BGC 3 SING ? ? ? 
PRD_900095 1 1 3 O4 BGC 3 C1 SGC 4 SING ? ? ? 
PRD_900095 1 1 4 S4 SGC 4 C1 BGC 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900095 2020-05-08 RCSB "Create molecule" 
PRD_900095 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900096
# 
_pdbx_reference_molecule.prd_id                       PRD_900096 
_pdbx_reference_molecule.name                         "thio-alpha-cellobiose 6-phosphate" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H23 O13 P S" 
_pdbx_reference_molecule.formula_weight               438.342 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with S-glycosidic bond between monosaccharides" 
_pdbx_reference_molecule.representative_PDB_id_code   4IPN 
# 
_pdbx_reference_entity_list.prd_id          PRD_900096 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900096 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900096 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900096 1 1 SGC ? N Y 
PRD_900096 1 2 RTG ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900096 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          S4 
_pdbx_reference_entity_poly_link.comp_id_1          SGC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          RTG 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900096 2020-05-08 RCSB "Create molecule" 
PRD_900096 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900097
# 
_pdbx_reference_molecule.prd_id                       PRD_900097 
_pdbx_reference_molecule.name                         "4-thio-beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyranosyl-(1->4)-1,4-dithio-beta-D-glucopyranose" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H32 O12 S4" 
_pdbx_reference_molecule.formula_weight               568.699 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with S-glycosidic bond between monosaccharides" 
_pdbx_reference_molecule.representative_PDB_id_code   1OVW 
# 
_pdbx_reference_entity_list.prd_id          PRD_900097 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900097 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900097 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900097 1 1 SSG ? N Y 
PRD_900097 1 2 SGC ? N Y 
PRD_900097 1 3 SGC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900097 1 1 1 S4 SSG 1 C1 SGC 2 SING ? ? ? 
PRD_900097 1 1 2 S4 SGC 2 C1 SGC 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900097 2020-05-08 RCSB "Create molecule" 
PRD_900097 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900098
# 
_pdbx_reference_molecule.prd_id                       PRD_900098 
_pdbx_reference_molecule.name                         "METHYL 6-THIO-BETA-GENTIOBIOSIDE" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C13 H24 O10 S" 
_pdbx_reference_molecule.formula_weight               372.389 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with S-glycosidic bond between monosaccharides" 
_pdbx_reference_molecule.representative_PDB_id_code   6MI1 
# 
_pdbx_reference_entity_list.prd_id          PRD_900098 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900098 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900098 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900098 1 1 U1Y ? N Y 
PRD_900098 1 2 BGC ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900098 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          S6 
_pdbx_reference_entity_poly_link.comp_id_1          U1Y 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          BGC 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900098 2020-05-08 RCSB "Create molecule" 
PRD_900098 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900099
# 
_pdbx_reference_molecule.prd_id                       PRD_900099 
_pdbx_reference_molecule.name                         "METHYL 2-THIO-BETA-SOPHOROSIDE" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C13 H24 O10 S" 
_pdbx_reference_molecule.formula_weight               372.389 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with S-glycosidic bond between monosaccharides" 
_pdbx_reference_molecule.representative_PDB_id_code   6MD6 
# 
_pdbx_reference_entity_list.prd_id          PRD_900099 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900099 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900099 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900099 1 1 U2A ? N Y 
PRD_900099 1 2 BGC ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900099 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          S2 
_pdbx_reference_entity_poly_link.comp_id_1          U2A 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          BGC 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900099 2020-05-08 RCSB "Create molecule" 
PRD_900099 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900100
# 
_pdbx_reference_molecule.prd_id                       PRD_900100 
_pdbx_reference_molecule.name                         thio-maltopentaose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C30 H52 O23 S3" 
_pdbx_reference_molecule.formula_weight               876.915 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with S-glycosidic bond between monosaccharides" 
_pdbx_reference_molecule.representative_PDB_id_code   9CGT 
# 
_pdbx_reference_entity_list.prd_id          PRD_900100 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900100 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900100 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900100 1 1 Z9E ? N Y 
PRD_900100 1 2 4SG ? N Y 
PRD_900100 1 3 GLC ? N Y 
PRD_900100 1 4 4SG ? N Y 
PRD_900100 1 5 GLC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900100 1 1 1 O4 Z9E 1 C1 4SG 2 SING ? ? ? 
PRD_900100 1 1 2 S4 4SG 2 C1 GLC 3 SING ? ? ? 
PRD_900100 1 1 3 O4 GLC 3 C1 4SG 4 SING ? ? ? 
PRD_900100 1 1 4 S4 4SG 4 C1 GLC 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900100 2020-05-08 RCSB "Create molecule" 
PRD_900100 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900101
# 
_pdbx_reference_molecule.prd_id                       PRD_900101 
_pdbx_reference_molecule.name                         thio-maltohexaose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H62 O28 S3" 
_pdbx_reference_molecule.formula_weight               1039.056 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with S-glycosidic bond between monosaccharides" 
_pdbx_reference_molecule.representative_PDB_id_code   8CGT 
# 
_pdbx_reference_entity_list.prd_id          PRD_900101 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900101 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900101 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900101 1 1 4SG ? N Y 
PRD_900101 1 2 GLC ? N Y 
PRD_900101 1 3 4SG ? N Y 
PRD_900101 1 4 GLC ? N Y 
PRD_900101 1 5 4SG ? N Y 
PRD_900101 1 6 GLC ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900101 1 1 1 S4 4SG 1 C1 GLC 2 SING ? ? ? 
PRD_900101 1 1 2 O4 GLC 2 C1 4SG 3 SING ? ? ? 
PRD_900101 1 1 3 S4 4SG 3 C1 GLC 4 SING ? ? ? 
PRD_900101 1 1 4 O4 GLC 4 C1 4SG 5 SING ? ? ? 
PRD_900101 1 1 5 S4 4SG 5 C1 GLC 6 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900101 2020-05-08 RCSB "Create molecule" 
PRD_900101 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900102
# 
_pdbx_reference_molecule.prd_id                       PRD_900102 
_pdbx_reference_molecule.name                         "methyl 3-S-alpha-D-mannopyranosyl-3-thio-alpha-D-mannopyranoside" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C13 H24 O10 S" 
_pdbx_reference_molecule.formula_weight               372.389 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with S-glycosidic bond between monosaccharides" 
_pdbx_reference_molecule.representative_PDB_id_code   3BVT 
# 
_pdbx_reference_entity_list.prd_id          PRD_900102 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900102 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900102 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900102 1 1 Z4R ? N Y 
PRD_900102 1 2 MAN ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900102 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          S3 
_pdbx_reference_entity_poly_link.comp_id_1          Z4R 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          MAN 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900102 2020-05-08 RCSB "Create molecule" 
PRD_900102 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900103
# 
_pdbx_reference_molecule.prd_id                       PRD_900103 
_pdbx_reference_molecule.name                         thio-xylotetraose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H34 O14 S3" 
_pdbx_reference_molecule.formula_weight               594.671 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with S-glycosidic bond between monosaccharides" 
_pdbx_reference_molecule.representative_PDB_id_code   3CUI 
# 
_pdbx_reference_entity_list.prd_id          PRD_900103 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900103 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900103 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900103 1 1 TWY ? N Y 
PRD_900103 1 2 TWY ? N Y 
PRD_900103 1 3 TWY ? N Y 
PRD_900103 1 4 XYP ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900103 1 1 1 S4 TWY 1 C1 TWY 2 SING ? ? ? 
PRD_900103 1 1 2 S4 TWY 2 C1 TWY 3 SING ? ? ? 
PRD_900103 1 1 3 S4 TWY 3 C1 XYP 4 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900103 2020-05-08 RCSB "Create molecule" 
PRD_900103 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900104
# 
_pdbx_reference_molecule.prd_id                       PRD_900104 
_pdbx_reference_molecule.name                         thio-xylopentaose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C25 H42 O17 S4" 
_pdbx_reference_molecule.formula_weight               742.851 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with S-glycosidic bond between monosaccharides" 
_pdbx_reference_molecule.representative_PDB_id_code   3CUJ 
# 
_pdbx_reference_entity_list.prd_id          PRD_900104 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900104 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900104 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900104 1 1 TWY ? N Y 
PRD_900104 1 2 TWY ? N Y 
PRD_900104 1 3 TWY ? N Y 
PRD_900104 1 4 TWY ? N Y 
PRD_900104 1 5 XYP ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900104 1 1 1 S4 TWY 1 C1 TWY 2 SING ? ? ? 
PRD_900104 1 1 2 S4 TWY 2 C1 TWY 3 SING ? ? ? 
PRD_900104 1 1 3 S4 TWY 3 C1 TWY 4 SING ? ? ? 
PRD_900104 1 1 4 S4 TWY 4 C1 XYP 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900104 2020-05-08 RCSB "Create molecule" 
PRD_900104 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900105
# 
_pdbx_reference_molecule.prd_id                       PRD_900105 
_pdbx_reference_molecule.name                         
;methyl
pentopyranosyl-(1->4)-4-thiopentopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-
 4-thio-alpha-D-xylopyranoside
;
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H44 O17 S4" 
_pdbx_reference_molecule.formula_weight               756.877 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with S-glycosidic bond between monosaccharides" 
_pdbx_reference_molecule.representative_PDB_id_code   1XNK 
# 
_pdbx_reference_entity_list.prd_id          PRD_900105 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900105 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900105 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900105 1 1 Z4U ? N Y 
PRD_900105 1 2 TWY ? N Y 
PRD_900105 1 3 TWY ? N Y 
PRD_900105 1 4 Z4V ? N Y 
PRD_900105 1 5 Z4W ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900105 1 1 1 S4 Z4U 1 C1 TWY 2 SING ? ? ? 
PRD_900105 1 1 2 S4 TWY 2 C1 TWY 3 SING ? ? ? 
PRD_900105 1 1 3 S4 TWY 3 C1 Z4V 4 SING ? ? ? 
PRD_900105 1 1 4 S4 Z4V 4 C1 Z4W 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900105 2020-05-08 RCSB "Create molecule" 
PRD_900105 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900106
# 
_pdbx_reference_molecule.prd_id                       PRD_900106 
_pdbx_reference_molecule.name                         6-S-alpha-D-mannopyranosyl-6-thio-alpha-D-mannopyranose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O10 S" 
_pdbx_reference_molecule.formula_weight               358.362 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with S-glycosidic bond between monosaccharides" 
_pdbx_reference_molecule.representative_PDB_id_code   3QT9 
# 
_pdbx_reference_entity_list.prd_id          PRD_900106 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900106 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900106 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900106 1 1 Z4Y ? N Y 
PRD_900106 1 2 MAN ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900106 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          S6 
_pdbx_reference_entity_poly_link.comp_id_1          Z4Y 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          MAN 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900106 2020-05-08 RCSB "Create molecule" 
PRD_900106 2020-07-29 RCSB "Initial release" 
PRD_900106 2020-08-05 RCSB "Modify sequence" 
# 
data_PRD_900107
# 
_pdbx_reference_molecule.prd_id                       PRD_900107 
_pdbx_reference_molecule.name                         "methyl alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-3-thio-alpha-D-mannopyranoside" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C19 H34 O15 S" 
_pdbx_reference_molecule.formula_weight               534.529 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with S-glycosidic bond between monosaccharides, and with branches" 
_pdbx_reference_molecule.representative_PDB_id_code   3BVU 
# 
_pdbx_reference_entity_list.prd_id          PRD_900107 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900107 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900107 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900107 1 1 Z4R ? N Y 
PRD_900107 1 2 MAN ? N Y 
PRD_900107 1 3 MAN ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900107 1 1 1 O6 Z4R 1 C1 MAN 3 SING ? ? ? 
PRD_900107 1 1 2 S3 Z4R 1 C1 MAN 2 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900107 2020-05-08 RCSB "Create molecule" 
PRD_900107 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900108
# 
_pdbx_reference_molecule.prd_id                       PRD_900108 
_pdbx_reference_molecule.name                         
;methyl
2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)-6-thio
 -alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranoside
;
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Substrate analog" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C33 H57 N O25 S" 
_pdbx_reference_molecule.formula_weight               899.862 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with S-glycosidic bond between monosaccharides, and with branches" 
_pdbx_reference_molecule.representative_PDB_id_code   3BVW 
# 
_pdbx_reference_entity_list.prd_id          PRD_900108 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900108 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900108 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900108 1 1 YZ0 ? N Y 
PRD_900108 1 2 MAN ? N Y 
PRD_900108 1 3 NAG ? N Y 
PRD_900108 1 4 Z4Y ? N Y 
PRD_900108 1 5 MAN ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900108 1 1 1 O6 YZ0 1 C1 Z4Y 4 SING ? ? ? 
PRD_900108 1 1 2 O3 YZ0 1 C1 MAN 2 SING ? ? ? 
PRD_900108 1 1 3 O2 MAN 2 C1 NAG 3 SING ? ? ? 
PRD_900108 1 1 4 S1 Z4Y 4 C1 MAN 5 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900108 2020-05-08 RCSB "Create molecule" 
PRD_900108 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900109
# 
_pdbx_reference_molecule.prd_id                       PRD_900109 
_pdbx_reference_molecule.name                         thioditaloside 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O10 S" 
_pdbx_reference_molecule.formula_weight               358.362 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with S-glycosidic bond between monosaccharides, and with reducing-end-to-reducing-end glycosidic bond" 
_pdbx_reference_molecule.representative_PDB_id_code   4JCK 
# 
_pdbx_reference_entity_list.prd_id          PRD_900109 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900109 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900109 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900109 1 1 SDY ? N Y 
PRD_900109 1 2 TWJ ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900109 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          C1 
_pdbx_reference_entity_poly_link.comp_id_1          SDY 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          S1 
_pdbx_reference_entity_poly_link.comp_id_2          TWJ 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900109 2020-05-08 RCSB "Create molecule" 
PRD_900109 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900110
# 
_pdbx_reference_molecule.prd_id                       PRD_900110 
_pdbx_reference_molecule.name                         "acarbose-derived trisaccharide" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C19 H33 N O13" 
_pdbx_reference_molecule.formula_weight               483.464 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   1XCW 
# 
_pdbx_reference_entity_list.prd_id          PRD_900110 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900110 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900110 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900110 1 1 GLC ? N Y 
PRD_900110 1 2 AC1 ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900110 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          GLC 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          AC1 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900110 2020-05-08 RCSB "Create molecule" 
PRD_900110 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900111
# 
_pdbx_reference_molecule.prd_id                       PRD_900111 
_pdbx_reference_molecule.name                         2alpha-alpha-mannobiose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        metabolism 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O11" 
_pdbx_reference_molecule.formula_weight               342.296 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   5WEY 
# 
_pdbx_reference_entity_list.prd_id          PRD_900111 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900111 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900111 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900111 1 1 MAN ? N Y 
PRD_900111 1 2 MAN ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900111 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O2 
_pdbx_reference_entity_poly_link.comp_id_1          MAN 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          MAN 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900111 2020-05-08 RCSB "Create molecule" 
PRD_900111 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900112
# 
_pdbx_reference_molecule.prd_id                       PRD_900112 
_pdbx_reference_molecule.name                         3alpha-alpha-mannobiose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        metabolism 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O11" 
_pdbx_reference_molecule.formula_weight               342.296 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   3A0E 
# 
_pdbx_reference_entity_list.prd_id          PRD_900112 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900112 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900112 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900112 1 1 MAN ? N Y 
PRD_900112 1 2 MAN ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900112 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O3 
_pdbx_reference_entity_poly_link.comp_id_1          MAN 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          MAN 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900112 2020-05-08 RCSB "Create molecule" 
PRD_900112 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900113
# 
_pdbx_reference_molecule.prd_id                       PRD_900113 
_pdbx_reference_molecule.name                         4beta-beta-galactobiose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        metabolism 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O11" 
_pdbx_reference_molecule.formula_weight               342.296 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   1UR4 
# 
_pdbx_reference_entity_list.prd_id          PRD_900113 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900113 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900113 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900113 1 1 GAL ? N Y 
PRD_900113 1 2 GAL ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900113 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          GAL 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          GAL 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900113 2020-05-08 RCSB "Create molecule" 
PRD_900113 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900114
# 
_pdbx_reference_molecule.prd_id                       PRD_900114 
_pdbx_reference_molecule.name                         4beta-beta-galactotriose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        metabolism 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C18 H32 O16" 
_pdbx_reference_molecule.formula_weight               504.437 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   1UR0 
# 
_pdbx_reference_entity_list.prd_id          PRD_900114 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900114 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900114 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900114 1 1 GAL ? N Y 
PRD_900114 1 2 GAL ? N Y 
PRD_900114 1 3 GAL ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900114 1 1 1 O4 GAL 1 C1 GAL 2 SING ? ? ? 
PRD_900114 1 1 2 O4 GAL 2 C1 GAL 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900114 2020-05-08 RCSB "Create molecule" 
PRD_900114 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900115
# 
_pdbx_reference_molecule.prd_id                       PRD_900115 
_pdbx_reference_molecule.name                         4beta-beta-mannobiose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        metabolism 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O11" 
_pdbx_reference_molecule.formula_weight               342.296 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   1QNR 
# 
_pdbx_reference_entity_list.prd_id          PRD_900115 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900115 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900115 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900115 1 1 BMA ? N Y 
PRD_900115 1 2 BMA ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900115 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          BMA 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          BMA 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900115 2020-05-08 RCSB "Create molecule" 
PRD_900115 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900116
# 
_pdbx_reference_molecule.prd_id                       PRD_900116 
_pdbx_reference_molecule.name                         4beta-beta-xylobiose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        metabolism 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C10 H18 O9" 
_pdbx_reference_molecule.formula_weight               282.245 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   6RV8 
# 
_pdbx_reference_entity_list.prd_id          PRD_900116 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900116 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900116 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900116 1 1 XYP ? N Y 
PRD_900116 1 2 XYP ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900116 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O4 
_pdbx_reference_entity_poly_link.comp_id_1          XYP 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          XYP 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900116 2020-05-08 RCSB "Create molecule" 
PRD_900116 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900117
# 
_pdbx_reference_molecule.prd_id                       PRD_900117 
_pdbx_reference_molecule.name                         4beta-beta-xylotriose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        metabolism 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C15 H26 O13" 
_pdbx_reference_molecule.formula_weight               414.359 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   4PVI 
# 
_pdbx_reference_entity_list.prd_id          PRD_900117 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900117 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900117 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900117 1 1 XYP ? N Y 
PRD_900117 1 2 XYP ? N Y 
PRD_900117 1 3 XYP ? N Y 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900117 1 1 1 O4 XYP 1 C1 XYP 2 SING ? ? ? 
PRD_900117 1 1 2 O4 XYP 2 C1 XYP 3 SING ? ? ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900117 2020-05-08 RCSB "Create molecule" 
PRD_900117 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900118
# 
_pdbx_reference_molecule.prd_id                       PRD_900118 
_pdbx_reference_molecule.name                         6alpha-alpha-mannobiose 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        metabolism 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C12 H22 O11" 
_pdbx_reference_molecule.formula_weight               342.296 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   5I4F 
# 
_pdbx_reference_entity_list.prd_id          PRD_900118 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900118 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.type            oligosaccharide 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900118 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900118 1 1 MAN ? N Y 
PRD_900118 1 2 MAN ? N Y 
# 
_pdbx_reference_entity_poly_link.prd_id             PRD_900118 
_pdbx_reference_entity_poly_link.ref_entity_id      1 
_pdbx_reference_entity_poly_link.component_id       1 
_pdbx_reference_entity_poly_link.link_id            1 
_pdbx_reference_entity_poly_link.atom_id_1          O6 
_pdbx_reference_entity_poly_link.comp_id_1          MAN 
_pdbx_reference_entity_poly_link.entity_seq_num_1   1 
_pdbx_reference_entity_poly_link.atom_id_2          C1 
_pdbx_reference_entity_poly_link.comp_id_2          MAN 
_pdbx_reference_entity_poly_link.entity_seq_num_2   2 
_pdbx_reference_entity_poly_link.value_order        SING 
_pdbx_reference_entity_poly_link.details            ? 
_pdbx_reference_entity_poly_link.insert_code_1      ? 
_pdbx_reference_entity_poly_link.insert_code_2      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900118 2020-05-08 RCSB "Create molecule" 
PRD_900118 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900119
# 
_pdbx_reference_molecule.prd_id                       PRD_900119 
_pdbx_reference_molecule.name                         "Lewis X antigen, beta anomer" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H35 N O15" 
_pdbx_reference_molecule.formula_weight               529.490 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with branches" 
_pdbx_reference_molecule.representative_PDB_id_code   2OX9 
# 
_pdbx_reference_entity_list.prd_id          PRD_900119 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900119 1 1 O3 NAG 1 C1 FUC 2 sing 1 ? ? ? 
PRD_900119 1 2 O4 NAG 1 C1 GAL 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900119 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900119 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900119 1 1 NAG . N Y 
PRD_900119 1 2 FUC . N Y 
PRD_900119 1 3 GAL . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900119 2020-06-22 RCSB "Create molecule" 
PRD_900119 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900120
# 
_pdbx_reference_molecule.prd_id                       PRD_900120 
_pdbx_reference_molecule.name                         "Lewis X antigen, alpha anomer" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H35 N O15" 
_pdbx_reference_molecule.formula_weight               529.490 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with branches" 
_pdbx_reference_molecule.representative_PDB_id_code   1SL6 
# 
_pdbx_reference_entity_list.prd_id          PRD_900120 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900120 1 1 O3 NDG 1 C1 FUC 2 sing 1 ? ? ? 
PRD_900120 1 2 O4 NDG 1 C1 GAL 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900120 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900120 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900120 1 1 NDG . N Y 
PRD_900120 1 2 FUC . N Y 
PRD_900120 1 3 GAL . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900120 2020-06-22 RCSB "Create molecule" 
PRD_900120 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900121
# 
_pdbx_reference_molecule.prd_id                       PRD_900121 
_pdbx_reference_molecule.name                         "Sialyl-Lewis X antigen, beta anomer" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H52 N2 O23" 
_pdbx_reference_molecule.formula_weight               820.744 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with branches" 
_pdbx_reference_molecule.representative_PDB_id_code   2R61 
# 
_pdbx_reference_entity_list.prd_id          PRD_900121 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900121 1 1 O4 NAG 1 C1 GAL 2 sing 1 ? ? ? 
PRD_900121 1 2 O3 NAG 1 C1 FUC 4 sing 1 ? ? ? 
PRD_900121 1 3 O3 GAL 2 C2 SIA 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900121 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900121 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900121 1 1 NAG . N Y 
PRD_900121 1 2 GAL . N Y 
PRD_900121 1 3 SIA . N Y 
PRD_900121 1 4 FUC . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900121 2020-06-22 RCSB "Create molecule" 
PRD_900121 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900122
# 
_pdbx_reference_molecule.prd_id                       PRD_900122 
_pdbx_reference_molecule.name                         "Sialyl-Lewis X antigen, alpha anomer" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C31 H52 N2 O23" 
_pdbx_reference_molecule.formula_weight               820.744 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with branches" 
_pdbx_reference_molecule.representative_PDB_id_code   2RDG 
# 
_pdbx_reference_entity_list.prd_id          PRD_900122 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900122 1 1 O4 NDG 1 C1 GAL 2 sing 1 ? ? ? 
PRD_900122 1 2 O3 NDG 1 C1 FUC 4 sing 1 ? ? ? 
PRD_900122 1 3 O3 GAL 2 C2 SIA 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900122 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900122 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900122 1 1 NDG . N Y 
PRD_900122 1 2 GAL . N Y 
PRD_900122 1 3 SIA . N Y 
PRD_900122 1 4 FUC . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900122 2020-06-22 RCSB "Create molecule" 
PRD_900122 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900123
# 
_pdbx_reference_molecule.prd_id                       PRD_900123 
_pdbx_reference_molecule.name                         "Lewis B antigen, beta anomer" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H45 N O19" 
_pdbx_reference_molecule.formula_weight               675.631 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with branches" 
_pdbx_reference_molecule.representative_PDB_id_code   4GWJ 
# 
_pdbx_reference_entity_list.prd_id          PRD_900123 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900123 1 1 O3 NAG 1 C1 GAL 2 sing 1 ? ? ? 
PRD_900123 1 2 O4 NAG 1 C1 FUC 4 sing 1 ? ? ? 
PRD_900123 1 3 O2 GAL 2 C1 FUC 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900123 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900123 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900123 1 1 NAG . N Y 
PRD_900123 1 2 GAL . N Y 
PRD_900123 1 3 FUC . N Y 
PRD_900123 1 4 FUC . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900123 2020-06-22 RCSB "Create molecule" 
PRD_900123 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900124
# 
_pdbx_reference_molecule.prd_id                       PRD_900124 
_pdbx_reference_molecule.name                         "Lewis Y antigen, alpha anomer" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H45 N O19" 
_pdbx_reference_molecule.formula_weight               675.631 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with branches" 
_pdbx_reference_molecule.representative_PDB_id_code   1S3K 
# 
_pdbx_reference_entity_list.prd_id          PRD_900124 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900124 1 1 O4 NDG 1 C1 GAL 2 sing 1 ? ? ? 
PRD_900124 1 2 O3 NDG 1 C1 FUC 4 sing 1 ? ? ? 
PRD_900124 1 3 O2 GAL 2 C1 FUC 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900124 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900124 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900124 1 1 NDG . N Y 
PRD_900124 1 2 GAL . N Y 
PRD_900124 1 3 FUC . N Y 
PRD_900124 1 4 FUC . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900124 2020-06-22 RCSB "Create molecule" 
PRD_900124 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900125
# 
_pdbx_reference_molecule.prd_id                       PRD_900125 
_pdbx_reference_molecule.name                         "H type 2 antigen, alpha anomer" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H35 N O15" 
_pdbx_reference_molecule.formula_weight               529.490 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  oligosaccharide 
_pdbx_reference_molecule.representative_PDB_id_code   2J7M 
# 
_pdbx_reference_entity_list.prd_id          PRD_900125 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900125 1 1 O4 NDG 1 C1 GAL 2 sing 1 ? ? ? 
PRD_900125 1 2 O2 GAL 2 C1 FUC 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900125 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900125 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900125 1 1 NDG . N Y 
PRD_900125 1 2 GAL . N Y 
PRD_900125 1 3 FUC . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900125 2020-06-22 RCSB "Create molecule" 
PRD_900125 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900126
# 
_pdbx_reference_molecule.prd_id                       PRD_900126 
_pdbx_reference_molecule.name                         "Blood group A Lewis B antigen, beta anomer" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C34 H58 N2 O24" 
_pdbx_reference_molecule.formula_weight               878.823 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with branches" 
_pdbx_reference_molecule.representative_PDB_id_code   5F7N 
# 
_pdbx_reference_entity_list.prd_id          PRD_900126 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900126 1 1 O3 NAG 1 C1 GAL 2 sing 1 ? ? ? 
PRD_900126 1 2 O4 NAG 1 C1 FUC 5 sing 1 ? ? ? 
PRD_900126 1 3 O2 GAL 2 C1 FUC 3 sing 1 ? ? ? 
PRD_900126 1 4 O3 GAL 2 C1 A2G 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900126 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900126 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900126 1 1 NAG . N Y 
PRD_900126 1 2 GAL . N Y 
PRD_900126 1 3 FUC . N Y 
PRD_900126 1 4 A2G . N Y 
PRD_900126 1 5 FUC . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900126 2020-06-22 RCSB "Create molecule" 
PRD_900126 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900127
# 
_pdbx_reference_molecule.prd_id                       PRD_900127 
_pdbx_reference_molecule.name                         "Blood group A Lewis Y antigen, beta anomer" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C34 H58 N2 O24" 
_pdbx_reference_molecule.formula_weight               878.823 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with branches" 
_pdbx_reference_molecule.representative_PDB_id_code   2WMK 
# 
_pdbx_reference_entity_list.prd_id          PRD_900127 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900127 1 1 O4 NAG 1 C1 GAL 2 sing 1 ? ? ? 
PRD_900127 1 2 O3 NAG 1 C1 FUC 5 sing 1 ? ? ? 
PRD_900127 1 3 O2 GAL 2 C1 FUC 3 sing 1 ? ? ? 
PRD_900127 1 4 O3 GAL 2 C1 A2G 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900127 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900127 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900127 1 1 NAG . N Y 
PRD_900127 1 2 GAL . N Y 
PRD_900127 1 3 FUC . N Y 
PRD_900127 1 4 A2G . N Y 
PRD_900127 1 5 FUC . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900127 2020-06-22 RCSB "Create molecule" 
PRD_900127 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900128
# 
_pdbx_reference_molecule.prd_id                       PRD_900128 
_pdbx_reference_molecule.name                         "Blood group A Lewis Y antigen, alpha anomer" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C34 H58 N2 O24" 
_pdbx_reference_molecule.formula_weight               878.823 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with branches" 
_pdbx_reference_molecule.representative_PDB_id_code   5ELE 
# 
_pdbx_reference_entity_list.prd_id          PRD_900128 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900128 1 1 O4 NDG 1 C1 GAL 2 sing 1 ? ? ? 
PRD_900128 1 2 O3 NDG 1 C1 FUC 5 sing 1 ? ? ? 
PRD_900128 1 3 O2 GAL 2 C1 FUC 3 sing 1 ? ? ? 
PRD_900128 1 4 O3 GAL 2 C1 A2G 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900128 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900128 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900128 1 1 NDG . N Y 
PRD_900128 1 2 GAL . N Y 
PRD_900128 1 3 FUC . N Y 
PRD_900128 1 4 A2G . N Y 
PRD_900128 1 5 FUC . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900128 2020-06-22 RCSB "Create molecule" 
PRD_900128 2020-07-29 RCSB "Initial release" 
# 
data_PRD_900129
# 
_pdbx_reference_molecule.prd_id                       PRD_900129 
_pdbx_reference_molecule.name                         "Lewis A antigen, beta anomer" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H35 N O15" 
_pdbx_reference_molecule.formula_weight               529.490 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with branches" 
_pdbx_reference_molecule.representative_PDB_id_code   3UET 
# 
_pdbx_reference_entity_list.prd_id          PRD_900129 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900129 1 1 O3 NAG 1 C1 GAL 2 sing 1 ? ? ? 
PRD_900129 1 2 O4 NAG 1 C1 FUC 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900129 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900129 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900129 1 1 NAG . N Y 
PRD_900129 1 2 GAL . N Y 
PRD_900129 1 3 FUC . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900129 2020-07-17 RCSB "Create molecule" 
PRD_900129 2020-08-05 RCSB "Initial release" 
# 
data_PRD_900130
# 
_pdbx_reference_molecule.prd_id                       PRD_900130 
_pdbx_reference_molecule.name                         "Lewis A antigen, alpha anomer" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C20 H35 N O15" 
_pdbx_reference_molecule.formula_weight               529.490 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with branches" 
_pdbx_reference_molecule.representative_PDB_id_code   4RM0 
# 
_pdbx_reference_entity_list.prd_id          PRD_900130 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900130 1 1 O3 NDG 1 C1 GAL 2 sing 1 ? ? ? 
PRD_900130 1 2 O4 NDG 1 C1 FUC 3 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900130 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900130 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900130 1 1 NDG . N Y 
PRD_900130 1 2 GAL . N Y 
PRD_900130 1 3 FUC . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900130 2020-07-17 RCSB "Create molecule" 
PRD_900130 2020-08-05 RCSB "Initial release" 
# 
data_PRD_900131
# 
_pdbx_reference_molecule.prd_id                       PRD_900131 
_pdbx_reference_molecule.name                         "Blood group A H type 1 antigen, beta anomer" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H48 N2 O20" 
_pdbx_reference_molecule.formula_weight               732.682 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with branches" 
_pdbx_reference_molecule.representative_PDB_id_code   3ASP 
# 
_pdbx_reference_entity_list.prd_id          PRD_900131 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900131 1 1 O3 NAG 1 C1 GAL 2 sing 1 ? ? ? 
PRD_900131 1 2 O2 GAL 2 C1 FUC 3 sing 1 ? ? ? 
PRD_900131 1 3 O3 GAL 2 C1 A2G 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900131 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900131 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900131 1 1 NAG . N Y 
PRD_900131 1 2 GAL . N Y 
PRD_900131 1 3 FUC . N Y 
PRD_900131 1 4 A2G . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900131 2020-07-17 RCSB "Create molecule" 
PRD_900131 2020-08-05 RCSB "Initial release" 
# 
data_PRD_900132
# 
_pdbx_reference_molecule.prd_id                       PRD_900132 
_pdbx_reference_molecule.name                         "Blood group A H type 2 antigen, beta anomer" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H48 N2 O20" 
_pdbx_reference_molecule.formula_weight               732.682 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with branches" 
_pdbx_reference_molecule.representative_PDB_id_code   4DS0 
# 
_pdbx_reference_entity_list.prd_id          PRD_900132 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900132 1 1 O4 NAG 1 C1 GAL 2 sing 1 ? ? ? 
PRD_900132 1 2 O2 GAL 2 C1 FUC 3 sing 1 ? ? ? 
PRD_900132 1 3 O3 GAL 2 C1 A2G 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900132 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900132 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900132 1 1 NAG . N Y 
PRD_900132 1 2 GAL . N Y 
PRD_900132 1 3 FUC . N Y 
PRD_900132 1 4 A2G . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900132 2020-07-17 RCSB "Create molecule" 
PRD_900132 2020-08-05 RCSB "Initial release" 
# 
data_PRD_900133
# 
_pdbx_reference_molecule.prd_id                       PRD_900133 
_pdbx_reference_molecule.name                         "Blood group A H type 2 antigen, alpha anomer" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C28 H48 N2 O20" 
_pdbx_reference_molecule.formula_weight               732.682 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with branches" 
_pdbx_reference_molecule.representative_PDB_id_code   5XFD 
# 
_pdbx_reference_entity_list.prd_id          PRD_900133 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900133 1 1 O4 NDG 1 C1 GAL 2 sing 1 ? ? ? 
PRD_900133 1 2 O2 GAL 2 C1 FUC 3 sing 1 ? ? ? 
PRD_900133 1 3 O3 GAL 2 C1 A2G 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900133 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900133 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900133 1 1 NDG . N Y 
PRD_900133 1 2 GAL . N Y 
PRD_900133 1 3 FUC . N Y 
PRD_900133 1 4 A2G . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900133 2020-07-17 RCSB "Create molecule" 
PRD_900133 2020-08-05 RCSB "Initial release" 
# 
data_PRD_900134
# 
_pdbx_reference_molecule.prd_id                       PRD_900134 
_pdbx_reference_molecule.name                         "Blood group B H type 2 antigen, beta anomer" 
_pdbx_reference_molecule.represent_as                 branched 
_pdbx_reference_molecule.type                         Oligosaccharide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antigen 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C26 H45 N O20" 
_pdbx_reference_molecule.formula_weight               691.630 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  "oligosaccharide with branches" 
_pdbx_reference_molecule.representative_PDB_id_code   2YGM 
# 
_pdbx_reference_entity_list.prd_id          PRD_900134 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            branched 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_900134 1 1 O4 NAG 1 C1 GAL 2 sing 1 ? ? ? 
PRD_900134 1 2 O2 GAL 2 C1 FUC 3 sing 1 ? ? ? 
PRD_900134 1 3 O3 GAL 2 C1 GLA 4 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_900134 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            oligosaccharide 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_900134 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            saccharide 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_900134 1 1 NAG . N Y 
PRD_900134 1 2 GAL . N Y 
PRD_900134 1 3 FUC . N Y 
PRD_900134 1 4 GLA . N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_900134 2020-07-17 RCSB "Create molecule" 
PRD_900134 2021-02-17 RCSB "Initial release" 
# 
