5MOE

Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound

5MOE の概要

• エントリーDOI: 10.2210/pdb5moe/pdb
• 分子名称: Casein kinase II subunit alpha, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... (8 entities in total)
• 機能のキーワード: ck2alpha, ck2a, fragment based drug discovery, high concentration screening, selective atp competitive inhibitors, surface entrophy reduction, 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: 86753.84

構造登録者

Brear, P.,De Fusco, C.,Georgiou, K.,Iegre, J.,Sore, H.,Hyvonen, M.,Spring, D. (登録日: 2016-12-14, 公開日: 2017-05-24, 最終更新日: 2024-01-17)

• 主引用文献: De Fusco, C.,Brear, P.,Iegre, J.,Georgiou, K.H.,Sore, H.F.,Hyvonen, M.,Spring, D.R.; A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.; Bioorg. Med. Chem., 25:3471-3482, 2017; PubMed: 28495381; DOI: 10.1016/j.bmc.2017.04.037

実験手法

X-RAY DIFFRACTION (1.89 Å)