7YC9

Co-crystal structure of BTK kinase domain with inhibitor

Summary for 7YC9

• Entry DOI: 10.2210/pdb7yc9/pdb
• Descriptor: Tyrosine-protein kinase BTK, (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: kinase, inhibitor, complex, antitumor protein
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 31934.47

Authors

Zhou, X. (deposition date: 2022-07-01, release date: 2023-05-17, Last modification date: 2023-11-29)

• Primary citation: Guo, Y.,Hu, N.,Liu, Y.,Zhang, W.,Yu, D.,Shi, G.,Zhang, B.,Yin, L.,Wei, M.,Yuan, X.,Luo, L.,Wang, F.,Song, X.,Xin, L.,Wei, Q.,Li, Y.,Guo, Y.,Chen, S.,Zhang, T.,Zhang, S.,Zhou, X.,Zhang, C.,Su, D.,Liu, J.,Cheng, Z.,Zhang, J.,Xing, H.,Sun, H.,Li, X.,Zhao, Y.,He, M.,Wu, Y.,Guo, Y.,Sun, X.,Tian, A.,Zhou, C.,Young, S.,Liu, X.,Wang, L.,Wang, Z.; Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.; J.Med.Chem., 66:4025-4044, 2023; PubMed: 36912866; DOI: 10.1021/acs.jmedchem.2c01938

Experimental method

X-RAY DIFFRACTION (1.4 Å)