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Ligands
Code Name Style Show Link
Non-standard Residues
Code Name Show
MEA N-methylphenylalanine
9KK N-methyl norleucine
SAR Sarcosine
Glycosylation
Code Name Emphasize
Modification
Code Name Show
ACE Acetyl group
NH2 Amino group
Code : 6NNV   PDBj   RCSB PDB   PDBe
Header : IMMUNE SYSTEM
Title : PD-L1 IgV domain complex with macro-cyclic peptide
Release Data : 2019-02-20
Compound :
mol_id molecule chains synonym
1 Programmed cell death 1 ligand 1 A,B,C,D Programmed death ligand 1,B7 homolog 1,B7-H1
fragment: UNP residues 18-134
mol_id molecule chains
2 macrocyclic peptide I,J,K,L
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli K-12  (taxid:83333)
gene: CD274, B7H1, PDCD1L1, PDCD1LG1, PDL1
mol_id organism_scientific
2 Synthetic construct  (taxid:32630)
synthetic: yes
Authors : Zhao, B., Perry, E.
Keywords : Fragment-based screening, Structure-based design, PD-L1 inhibitor, Cancer drug discovery, Immunotherapy, IMMUNE SYSTEM
Exp. method : X-RAY DIFFRACTION ( 1.920 Å )
Citation :

Fragment-based screening of programmed death ligand 1 (PD-L1).

Perry, E.,Mills, J.J.,Zhao, B.  et al.
(2019)  Bioorg. Med. Chem. Lett.  29 : 786 - 790

PubMed: 30728114
DOI: 10.1016/j.bmcl.2019.01.028

Chain : A, B, C, D
UniProt : Q9NZQ7 (PD1L1_HUMAN)
Reaction : -