6VXQ

Bruton's tyrosine kinase in complex with compound 5

Summary for 6VXQ

Entry DOI	10.2210/pdb6vxq/pdb
Descriptor	Tyrosine-protein kinase BTK, DIMETHYL SULFOXIDE, N-{[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide, ... (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	34381.49
Authors	Metrick, C.M.,Marcotte, D.J. (deposition date: 2020-02-23, 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 Cited by PubMed: 32696648 DOI: 10.1021/acs.jmedchem.0c00702 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.4 Å)

Structure validation