6VXQ

Bruton's tyrosine kinase in complex with compound 5

6VXQ の概要

• エントリーDOI: 10.2210/pdb6vxq/pdb
• 分子名称: Tyrosine-protein kinase BTK, DIMETHYL SULFOXIDE, N-{[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide, ... (4 entities in total)
• 機能のキーワード: kinase, transferase, inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34381.49

構造登録者

Metrick, C.M.,Marcotte, D.J. (登録日: 2020-02-23, 公開日: 2020-12-16, 最終更新日: 2023-10-11)

• 主引用文献: Ma, B.,Bohnert, T.,Otipoby, K.L.,Tien, E.,Arefayene, M.,Bai, J.,Bajrami, B.,Bame, E.,Chan, T.R.,Humora, M.,MacPhee, J.M.,Marcotte, D.,Mehta, D.,Metrick, C.M.,Moniz, G.,Polack, E.,Poreci, U.,Prefontaine, A.,Sheikh, S.,Schroeder, P.,Smirnakis, K.,Zhang, L.,Zheng, F.,Hopkins, B.T.; Discovery of BIIB068: A Selective, Potent, Reversible Bruton's Tyrosine Kinase Inhibitor as an Orally Efficacious Agent for Autoimmune Diseases.; J.Med.Chem., 63:12526-12541, 2020; PubMed: 32696648; DOI: 10.1021/acs.jmedchem.0c00702

実験手法

X-RAY DIFFRACTION (1.4 Å)