4H58

BRAF in complex with compound 3

4H58 の概要

• エントリーDOI: 10.2210/pdb4h58/pdb
• 分子名称: Serine/threonine-protein kinase B-raf, N-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine, CHLORIDE ION, ... (4 entities in total)
• 機能のキーワード: protein kinase, structure based drug discovery, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Nucleus : P15056
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 94474.90

構造登録者

Vasbinder, M.,Aquila, B.,Augustin, M.,Chueng, T.,Cook, D.,Drew, L.,Fauber, B.,Glossop, S.,Godin, R.,Grondine, M.,Hennessy, E.,Johannes, J.,Lee, S.,Lyne, P.,Moertl, M.,Omer, C.,Palakurthi, S.,Pontz, T.,Read, J.,Sha, L.,Shen, M.,Steinbacher, S.,Wang, H.,Wu, A.,Ye, M.,Bagal, B. (登録日: 2012-09-18, 公開日: 2013-02-27, 最終更新日: 2023-09-20)

• 主引用文献: Vasbinder, M.M.,Aquila, B.,Augustin, M.,Chen, H.,Cheung, T.,Cook, D.,Drew, L.,Fauber, B.P.,Glossop, S.,Grondine, M.,Hennessy, E.,Johannes, J.,Lee, S.,Lyne, P.,Mortl, M.,Omer, C.,Palakurthi, S.,Pontz, T.,Read, J.,Sha, L.,Shen, M.,Steinbacher, S.,Wang, H.,Wu, A.,Ye, M.; Discovery and Optimization of a Novel Series of Potent Mutant B-Raf(V600E) Selective Kinase Inhibitors.; J.Med.Chem., 56:1996-2015, 2013; PubMed: 23398453; DOI: 10.1021/jm301658d

実験手法

X-RAY DIFFRACTION (3.1 Å)