5FTG

Human choline kinase a1 in complex with compound 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1- yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N- dimethyl-pyridin-4-amine (compound 10a)

5FTG の概要

• エントリーDOI: 10.2210/pdb5ftg/pdb
• 分子名称: CHOLINE KINASE ALPHA, 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N-dimethyl-pyridin-4-amine, 1,2-ETHANEDIOL, ... (4 entities in total)
• 機能のキーワード: transferase, biscationic inhibitor, docking studies
• 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: 45569.21

構造登録者

Schiaffino-Ortega, S.,Baglioni, E.,Mariotto, E.,Bortolozzi, R.,Serran-Aguilera, L.,Rios-Marco, P.,Carrasco-Jimenez, M.P.,Gallo, M.A.,Hurtado-Guerrero, R.,Marco, C.,Basso, G.,Viola, G.,Entrena, A.,Lopez-Cara, L.C. (登録日: 2016-01-13, 公開日: 2016-03-23, 最終更新日: 2024-01-10)

• 主引用文献: Schiaffino-Ortega, S.,Baglioni, E.,Mariotto, E.,Bortolozzi, R.,Serran-Aguilera, L.,Rios-Marco, P.,Carrasco-Jimenez, M.P.,Gallo, M.A.,Hurtado-Guerrero, R.,Marco, C.,Basso, G.,Viola, G.,Entrena, A.,Lopez-Cara, L.C.; Design, Synthesis, Crystallization and Biological Evaluation of New Symmetrical Biscationic Compounds as Selective Inhibitors of Human Choline Kinase Alpha1 (Chokalpha1); Sci.Rep., 6:23793-, 2016; PubMed: 27029499; DOI: 10.1038/SREP23793

実験手法

X-RAY DIFFRACTION (1.45 Å)