7VUN

Design, modification, evaluation and cocrystal studies of novel phthalimides regulating PD-1/PD-L1 interaction

Summary for 7VUN

Entry DOI	10.2210/pdb7vun/pdb
Descriptor	Programmed cell death 1 ligand 1, (2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid (3 entities in total)
Functional Keywords	dimer, beta-sheet, structural protein
Biological source	Homo sapiens (human)
Total number of polymer chains	8
Total formula weight	117522.16
Authors	Cheng, Y.,Sun, C.L.,Chen, M.R.,Yang, P.,Xiao, Y.B. (deposition date: 2021-11-03, release date: 2022-09-14, Last modification date: 2023-11-29)
Primary citation	Sun, C.,Cheng, Y.,Liu, X.,Wang, G.,Min, W.,Wang, X.,Yuan, K.,Hou, Y.,Li, J.,Zhang, H.,Dong, H.,Wang, L.,Lou, C.,Sun, Y.,Yu, X.,Deng, H.,Xiao, Y.,Yang, P. Novel phthalimides regulating PD-1/PD-L1 interaction as potential immunotherapy agents. Acta Pharm Sin B, 12:4446-4457, 2022 Cited by PubMed: 36561991 DOI: 10.1016/j.apsb.2022.04.007 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.701 Å)

Structure validation