4DBN

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

4DBN の概要

• エントリーDOI: 10.2210/pdb4dbn/pdb
• 分子名称: 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)
• 機能のキーワード: kinase drug complex, ser/thr kinase, atp binding, phosphorylation, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Nucleus (By similarity): P15056
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 65740.73

構造登録者

Yano, J.K.,Aertgeerts, K. (登録日: 2012-01-16, 公開日: 2012-04-11, 最終更新日: 2024-02-28)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (3.15 Å)