4FC0

Crystal Structure of Human Kinase Domain of B-raf with a DFG-out Inhibitor

Summary for 4FC0

• Entry DOI: 10.2210/pdb4fc0/pdb
• Related: 3Q96 4DBN
• Descriptor: Serine/threonine-protein kinase B-raf, 2-chloro-3-[(2-cyanopropan-2-yl)oxy]-N-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide (3 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 (By similarity): P15056
• Total number of polymer chains: 2
• Total formula weight: 65802.85

Authors

Yano, J.K.,Aertgeerts, K. (deposition date: 2012-05-23, release date: 2014-01-08, Last modification date: 2024-02-28)

• Primary citation: Hirose, M.,Okaniwa, M.,Miyazaki, T.,Imada, T.,Ohashi, T.,Tanaka, Y.,Arita, T.,Yabuki, M.,Kawamoto, T.,Tsutsumi, S.,Sumita, A.,Takagi, T.,Sang, B.C.,Yano, J.,Aertgeerts, K.,Yoshida, S.,Ishikawa, T.; Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors: 3. Evaluation of 5-amino-linked thiazolo[5,4-d]pyrimidine and thiazolo[5,4-b]pyridine derivatives.; Bioorg.Med.Chem., 20:5600-5615, 2012; PubMed: 22883026; DOI: 10.1016/j.bmc.2012.07.032

Experimental method

X-RAY DIFFRACTION (2.95 Å)