4H58

BRAF in complex with compound 3

Summary for 4H58

Entry DOI	10.2210/pdb4h58/pdb
Descriptor	Serine/threonine-protein kinase B-raf, N-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine, CHLORIDE ION, ... (4 entities in total)
Functional Keywords	protein kinase, structure based drug discovery, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Nucleus : P15056
Total number of polymer chains	3
Total formula weight	94474.90
Authors	Vasbinder, M.,Aquila, B.,Augustin, M.,Chueng, T.,Cook, D.,Drew, L.,Fauber, B.,Glossop, S.,Godin, R.,Grondine, M.,Hennessy, E.,Johannes, J.,Lee, S.,Lyne, P.,Moertl, M.,Omer, C.,Palakurthi, S.,Pontz, T.,Read, J.,Sha, L.,Shen, M.,Steinbacher, S.,Wang, H.,Wu, A.,Ye, M.,Bagal, B. (deposition date: 2012-09-18, release date: 2013-02-27, Last modification date: 2023-09-20)
Primary citation	Vasbinder, M.M.,Aquila, B.,Augustin, M.,Chen, H.,Cheung, T.,Cook, D.,Drew, L.,Fauber, B.P.,Glossop, S.,Grondine, M.,Hennessy, E.,Johannes, J.,Lee, S.,Lyne, P.,Mortl, M.,Omer, C.,Palakurthi, S.,Pontz, T.,Read, J.,Sha, L.,Shen, M.,Steinbacher, S.,Wang, H.,Wu, A.,Ye, M. Discovery and Optimization of a Novel Series of Potent Mutant B-Raf(V600E) Selective Kinase Inhibitors. J.Med.Chem., 56:1996-2015, 2013 Cited by PubMed: 23398453 DOI: 10.1021/jm301658d PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3.1 Å)

Structure validation