6ZRB

Crystal structure of SMYD3 conjugate with piperidine-based covalent inhibitor EM127

6ZRB の概要

• エントリーDOI: 10.2210/pdb6zrb/pdb
• 分子名称: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, N-[1-(2-Chloroacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide, ... (6 entities in total)
• 機能のキーワード: inhibitor, covalent inhibitor, complex, methyltransferase, oncoprotein
• 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: 50425.87

構造登録者

Talibov, V.O.,Eriksson, D. (登録日: 2020-07-13, 公開日: 2022-07-27, 最終更新日: 2024-01-31)

• 主引用文献: Parenti, M.D.,Naldi, M.,Manoni, E.,Fabini, E.,Cederfelt, D.,Talibov, V.O.,Gressani, V.,Guven, U.,Grossi, V.,Fasano, C.,Sanese, P.,De Marco, K.,Shtil, A.A.,Kurkin, A.V.,Altieri, A.,Danielson, U.H.,Caretti, G.,Simone, C.,Varchi, G.,Bartolini, M.,Del Rio, A.; Discovery of the 4-aminopiperidine-based compound EM127 for the site-specific covalent inhibition of SMYD3; Eur.J.Med.Chem., :114683-, 2022; DOI: 10.1016/j.ejmech.2022.114683

実験手法

X-RAY DIFFRACTION (1.55 Å)