4DBN

Crystal Structure of the Kinase domain of Human B-raf with a [1,3]thiazolo[5,4-b]pyridine derivative

Summary for 4DBN

• Entry DOI: 10.2210/pdb4dbn/pdb
• Descriptor: Serine/threonine-protein kinase B-raf, 2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide (3 entities in total)
• Functional Keywords: kinase drug complex, ser/thr kinase, atp binding, phosphorylation, 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: 65740.73

Authors

Yano, J.K.,Aertgeerts, K. (deposition date: 2012-01-16, release date: 2012-04-11, Last modification date: 2024-02-28)

• Primary citation: Okaniwa, M.,Hirose, M.,Imada, T.,Ohashi, T.,Hayashi, Y.,Miyazaki, T.,Arita, T.,Yabuki, M.,Kakoi, K.,Kato, J.,Takagi, T.,Kawamoto, T.,Yao, S.,Sumita, A.,Tsutsumi, S.,Tottori, T.,Oki, H.,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. 1. Exploration of [5,6]-fused bicyclic scaffolds.; J.Med.Chem., 55:3452-3478, 2012; PubMed: 22376051; DOI: 10.1021/jm300126x

Experimental method

X-RAY DIFFRACTION (3.15 Å)