6CBY

Crystal structure of human SET and MYND Domain Containing protein 2 with MTF9975

6CBY の概要

• エントリーDOI: 10.2210/pdb6cby/pdb
• 分子名称: N-lysine methyltransferase SMYD2, ZINC ION, [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone, ... (4 entities in total)
• 機能のキーワード: smyd2 mtf9975 inhibitor, structural genomics, structural genomics consortium, sgc, transferase-inhibitor complex, transferase/inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm, cytosol : Q9NRG4
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 101174.22

構造登録者

ZENG, H.,DONG, A.,Hutchinson, A.,Seitova, A.,TATLOCK, J.,KUMPF, R.,OWEN, A.,TAYLOR, A.,Casimiro-Garcia, A.,Bountra, C.,Arrowsmith, C.H.,Edwards, A.M.,BROWN, P.J.,WU, H.,Structural Genomics Consortium (SGC) (登録日: 2018-02-05, 公開日: 2018-03-14, 最終更新日: 2023-12-27)

• 主引用文献: Taylor, A.P.,Swewczyk, M.,Kennedy, S.,Trush, V.V.,Wu, H.,Zeng, H.,Dong, A.,Ferreira de Freitas, R.,Tatlock, J.,Kumpf, R.A.,Wythes, M.,Casimiro-Garcia, A.,Denny, R.A.,Parikh, M.D.,Li, F.,Barsyte-Lovejoy, D.,Schapira, M.,Vedadi, M.,Brown, P.J.,Arrowsmith, C.H.,Owen, D.R.; Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3-9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase.; J.Med.Chem., 62:7669-7683, 2019; PubMed: 31415173; DOI: 10.1021/acs.jmedchem.9b00112

実験手法

X-RAY DIFFRACTION (2.55 Å)