6IJL

Crystal structure of SmyD3 in complex with covalent inhibitor 5

6IJL の概要

• エントリーDOI: 10.2210/pdb6ijl/pdb
• 関連するPDBエントリー: 5XXD 5XXG 5XXJ 5YJO
• 分子名称: Histone-lysine N-methyltransferase SMYD3, propyl (2~{R})-4-[2-[4-(1-azanylcyclopropyl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate, ZINC ION, ... (5 entities in total)
• 機能のキーワード: covalent inhibitor, methyltransferase, methyltransferase inhibitor, transferase-inhibitor complex, transferase/inhibitor
• 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: 50245.36

構造登録者

Baburajendran, N.,Joy, J. (登録日: 2018-10-10, 公開日: 2019-08-14, 最終更新日: 2024-03-27)

• 主引用文献: Huang, C.,Liew, S.S.,Lin, G.R.,Poulsen, A.,Ang, M.J.Y.,Chia, B.C.S.,Chew, S.Y.,Kwek, Z.P.,Wee, J.L.K.,Ong, E.H.,Retna, P.,Baburajendran, N.,Li, R.,Yu, W.,Koh-Stenta, X.,Ngo, A.,Manesh, S.,Fulwood, J.,Ke, Z.,Chung, H.H.,Sepramaniam, S.,Chew, X.H.,Dinie, N.,Lee, M.A.,Chew, Y.S.,Low, C.B.,Pendharkar, V.,Manoharan, V.,Vuddagiri, S.,Sangthongpitag, K.,Joy, J.,Matter, A.,Hill, J.,Keller, T.H.,Foo, K.; Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.; Acs Med.Chem.Lett., 10:978-984, 2019; PubMed: 31223458; DOI: 10.1021/acsmedchemlett.9b00170

実験手法

X-RAY DIFFRACTION (2.351 Å)