4KSQ

Crystal Structure of Human B-raf bound to a DFG-out Inhibitor 5B

Summary for 4KSQ

Entry DOI	10.2210/pdb4ksq/pdb
Related	3Q96 4DBN 4KSP
Descriptor	Serine/threonine-protein kinase B-raf, N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide (2 entities in total)
Functional Keywords	human serine/theronine protein kinase, kinase drug complex, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Nucleus : P15056
Total number of polymer chains	2
Total formula weight	65755.76
Authors	Yano, J.K.,Masanori, O. (deposition date: 2013-05-17, release date: 2013-07-24, Last modification date: 2024-02-28)
Primary citation	Okaniwa, M.,Hirose, M.,Arita, T.,Yabuki, M.,Nakamura, A.,Takagi, T.,Kawamoto, T.,Uchiyama, N.,Sumita, A.,Tsutsumi, S.,Tottori, T.,Inui, Y.,Sang, B.C.,Yano, J.,Aertgeerts, K.,Yoshida, S.,Ishikawa, T. Discovery of a Selective Kinase Inhibitor (TAK-632) Targeting Pan-RAF Inhibition: Design, Synthesis, and Biological Evaluation of C-7-Substituted 1,3-Benzothiazole Derivatives. J.Med.Chem., 56:6478-6494, 2013 Cited by PubMed: 23906342 DOI: 10.1021/jm400778d PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3.3 Å)

Structure validation