7A04

Structure of human CKa1 in complex with compound b

7A04 の概要

• エントリーDOI: 10.2210/pdb7a04/pdb
• 分子名称: Choline kinase alpha, 1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium, 1,2-ETHANEDIOL, ... (4 entities in total)
• 機能のキーワード: choline kinase, drugs, cancer, anti proliferative effect, half molecules, transferase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 90697.92

構造登録者

Serran-Aguilera, L.,Mariotto, E.,Rubbini, G.,Castro Navas, F.C.,Marco, C.,Carrasco-Jimenez, M.P.,Ballarotto, M.,Macchiarulo, A.,Hurtado-Guerrero, R.,Viola, G.,Lopez-Cara, L.C. (登録日: 2020-08-06, 公開日: 2020-09-09, 最終更新日: 2024-01-31)

• 主引用文献: Serran-Aguilera, L.,Mariotto, E.,Rubbini, G.,Castro Navas, F.F.,Marco, C.,Carrasco-Jimenez, M.P.,Ballarotto, M.,Macchiarulo, A.,Hurtado-Guerrero, R.,Viola, G.,Lopez-Cara, L.C.; Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism.; Eur.J.Med.Chem., 207:112797-112797, 2020; PubMed: 32977218; DOI: 10.1016/j.ejmech.2020.112797

実験手法

X-RAY DIFFRACTION (2.15 Å)