5VAL

BRAF in Complex with N-(3-(tert-butyl)phenyl)-4-methyl-3-(6-morpholinopyrimidin-4-yl)benzamide

5VAL の概要

• エントリーDOI: 10.2210/pdb5val/pdb
• 関連するPDBエントリー: 5VAM
• 分子名称: Serine/threonine-protein kinase B-raf, N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide (3 entities in total)
• 機能のキーワード: braf serine/threonine-protein kinase b-raf, 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: 2
• 化学式量合計: 64688.85

構造登録者

Mamo, M.,Appleton, B.A. (登録日: 2017-03-27, 公開日: 2017-06-28, 最終更新日: 2024-03-06)

• 主引用文献: Nishiguchi, G.A.,Rico, A.,Tanner, H.,Aversa, R.J.,Taft, B.R.,Subramanian, S.,Setti, L.,Burger, M.T.,Wan, L.,Tamez, V.,Smith, A.,Lou, Y.,Barsanti, P.A.,Appleton, B.A.,Mamo, M.,Tandeske, L.,Dix, I.,Tellew, J.E.,Huang, S.,Mathews Griner, L.A.,Cooke, V.G.,Van Abbema, A.,Merritt, H.,Ma, S.,Gampa, K.,Feng, F.,Yuan, J.,Wang, Y.,Haling, J.R.,Vaziri, S.,Hekmat-Nejad, M.,Jansen, J.M.,Polyakov, V.,Zang, R.,Sethuraman, V.,Amiri, P.,Singh, M.,Lees, E.,Shao, W.,Stuart, D.D.,Dillon, M.P.,Ramurthy, S.; Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.; J. Med. Chem., 60:4869-4881, 2017; PubMed: 28557458; DOI: 10.1021/acs.jmedchem.6b01862

実験手法

X-RAY DIFFRACTION (2.26 Å)