6W07

Bruton's tyrosine kinase in complex with compound 1

Summary for 6W07

• Entry DOI: 10.2210/pdb6w07/pdb
• Related: 6VXQ
• Descriptor: Tyrosine-protein kinase BTK, ~{N}-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxy-azetidine-1-carboxamide, DIMETHYL SULFOXIDE, ... (4 entities in total)
• Functional Keywords: kinase, transferase, inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 34410.51

Authors

Metrick, C.M.,Marcotte, D.J. (deposition date: 2020-02-29, release date: 2020-12-16, Last modification date: 2023-10-11)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (1.51 Å)