7K0V

Crystal structure of bRaf in complex with inhibitor GNE-0749

7K0V の概要

• エントリーDOI: 10.2210/pdb7k0v/pdb
• 分子名称: Non-specific serine/threonine protein kinase, N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea, CHLORIDE ION, ... (4 entities in total)
• 機能のキーワード: kinase, inhibitor, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 133175.35

構造登録者

Yin, J.,Eigenbrot, C.E.,Wang, W. (登録日: 2020-09-06, 公開日: 2021-05-26, 最終更新日: 2023-10-18)

• 主引用文献: Huestis, M.P.,Dela Cruz, D.,DiPasquale, A.G.,Durk, M.R.,Eigenbrot, C.,Gibbons, P.,Gobbi, A.,Hunsaker, T.L.,La, H.,Leung, D.H.,Liu, W.,Malek, S.,Merchant, M.,Moffat, J.G.,Muli, C.S.,Orr, C.J.,Parr, B.T.,Shanahan, F.,Sneeringer, C.J.,Wang, W.,Yen, I.,Yin, J.,Siu, M.,Rudolph, J.; Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.; J.Med.Chem., 64:3940-3955, 2021; PubMed: 33780623; DOI: 10.1021/acs.jmedchem.0c02085

実験手法

X-RAY DIFFRACTION (1.93 Å)