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TitleSmall-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 5857-5867, Year 2017
Publish dateFeb 7, 2017 (structure data deposition date)
AuthorsGuzik, K. / Zak, K.M. / Grudnik, P. / Magiera, K. / Musielak, B. / Torner, R. / Skalniak, L. / Domling, A. / Dubin, G. / Holak, T.A.
External linksJ. Med. Chem. / PubMed:28613862
MethodsX-ray diffraction
Resolution1.7 - 2.35 Å
Structure data

PDB-5n2d:
Structure of PD-L1/small-molecule inhibitor complex
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-5n2f:
Structure of PD-L1/small-molecule inhibitor complex
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-8J8:
~{N}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]ethyl]ethanamide

ChemComp-HOH:
WATER

ChemComp-8HW:
4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid

Source
  • homo sapiens (human)
KeywordsCELL CYCLE / PD-L1 / PD-1 / small-molecule inhibitor / IMMUNE SYSTEM

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