6XVK

Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor bearing an acrylamide

6XVK の概要

• エントリーDOI: 10.2210/pdb6xvk/pdb
• 分子名称: Vascular endothelial growth factor receptor 2, ~{N}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide (3 entities in total)
• 機能のキーワード: type ii kinase inhibitor, structure-based drug design, signaling protein
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 37526.19

構造登録者

Schimpl, M.,McAuley, K.,Hoyt, E.A.,Thomas, M.,Bodnarchuk, M.S.,Lewis, H.J.,Barratt, D.,Deery, M.J.,Ogg, D.J.,Bernardes, G.J.L.,Ward, R.A.,Kettle, J.G.,Waring, M.J. (登録日: 2020-01-22, 公開日: 2020-05-27, 最終更新日: 2024-05-01)

• 主引用文献: McAulay, K.,Hoyt, E.A.,Thomas, M.,Schimpl, M.,Bodnarchuk, M.S.,Lewis, H.J.,Barratt, D.,Bhavsar, D.,Robinson, D.M.,Deery, M.J.,Ogg, D.J.,Bernardes, G.J.L.,Ward, R.A.,Waring, M.J.,Kettle, J.G.; Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.; J.Am.Chem.Soc., 142:10358-10372, 2020; PubMed: 32412754; DOI: 10.1021/jacs.9b13391

実験手法

X-RAY DIFFRACTION (1.99 Å)