8WX7

Crystal structure of SHP2 in complex with JAB-3186

Summary for 8WX7

• Entry DOI: 10.2210/pdb8wx7/pdb
• Descriptor: Tyrosine-protein phosphatase non-receptor type 11, 1,2-ETHANEDIOL, (5~{S})-1'-[6-azanyl-5-(2-azanyl-3-chloranyl-pyridin-4-yl)sulfanyl-pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine, ... (6 entities in total)
• Functional Keywords: phosphatase cancer, hydrolase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 123191.41

Authors

Ma, C.,Gao, P.,Kang, D.,Han, H.,Sun, X.,Zhang, W.,Qian, D.,Wang, Y.,Long, W. (deposition date: 2023-10-27, release date: 2024-08-14)

• Primary citation: Ma, C.,Kang, D.,Gao, P.,Zhang, W.,Wu, X.,Xu, Z.,Han, H.,Zhang, L.,Cai, Y.,Wang, Y.,Wang, Y.,Long, W.; Discovery of JAB-3312, a Potent SHP2 Allosteric Inhibitor for Cancer Treatment.; J.Med.Chem., 2024; PubMed: 39110625; DOI: 10.1021/acs.jmedchem.4c00360

Experimental method