6R3K

Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor

Replaces:  5NIX

Summary for 6R3K

• Entry DOI: 10.2210/pdb6r3k/pdb
• Descriptor: Programmed cell death 1 ligand 1, 1,2-ETHANEDIOL, (2~{S},4~{R})-1-[[5-chloranyl-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid, ... (4 entities in total)
• Functional Keywords: pd-l1, pd-1, immune checkpoint, immune system
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 4
• Total formula weight: 60121.39

Authors

Zak, K.M.,Grudnik, P.,Skalniak, L.,Dubin, G.,Holak, T.A. (deposition date: 2019-03-20, release date: 2019-04-03, Last modification date: 2024-01-24)

• Primary citation: Muszak, D.,Surmiak, E.,Plewka, J.,Magiera-Mularz, K.,Kocik-Krol, J.,Musielak, B.,Sala, D.,Kitel, R.,Stec, M.,Weglarczyk, K.,Siedlar, M.,Domling, A.,Skalniak, L.,Holak, T.A.; Terphenyl-Based Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction.; J.Med.Chem., 64:11614-11636, 2021; PubMed: 34313116; DOI: 10.1021/acs.jmedchem.1c00957

Experimental method

X-RAY DIFFRACTION (2.2 Å)