8OR1

Co-crystal strucutre of PD-L1 with low molecular weight inhibitor

Summary for 8OR1

• Entry DOI: 10.2210/pdb8or1/pdb
• Descriptor: Programmed cell death 1 ligand 1, 5-[[5-[[2-chloranyl-3-(2-fluorophenyl)phenyl]methoxy]-2-[(~{E})-2-hydroxyethyliminomethyl]phenoxy]methyl]pyridine-3-carbonitrile (2 entities in total)
• Functional Keywords: pd-l1, inhibitor, immunotheraphy, immune system
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 26980.38

Authors

Zhang, H.,Zhou, S.,Wu, C.,Zhu, M.,Yu, Q.,Wang, X.,Awadasseid, A.,Plewka, J.,Magiera-Mularz, K.,Wu, Y.,Zhang, W. (deposition date: 2023-04-12, release date: 2023-08-02, Last modification date: 2023-08-23)

• Primary citation: Zhang, H.,Zhou, S.,Plewka, J.,Wu, C.,Zhu, M.,Yu, Q.,Musielak, B.,Wang, X.,Awadasseid, A.,Magiera-Mularz, K.,Wu, Y.,Zhang, W.; Design, Synthesis, and Antitumor Activity Evaluation of 2-Arylmethoxy-4-(2,2'-dihalogen-substituted biphenyl-3-ylmethoxy) Benzylamine Derivatives as Potent PD-1/PD-L1 Inhibitors.; J.Med.Chem., 66:10579-10603, 2023; PubMed: 37496104; DOI: 10.1021/acs.jmedchem.3c00731

Experimental method

X-RAY DIFFRACTION (3.5 Å)