4NVQ

Human G9a in Complex with Inhibitor A-366

4NVQ の概要

• エントリーDOI: 10.2210/pdb4nvq/pdb
• 分子名称: Histone-lysine N-methyltransferase EHMT2, 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine, S-ADENOSYL-L-HOMOCYSTEINE, ... (5 entities in total)
• 機能のキーワード: lysine methyl transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Nucleus : Q96KQ7
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 67699.51

構造登録者

Sweis, R.F.,Pliushchev, M.,Brown, P.J.,Guo, J.,Li, F.,Maag, D.,Petros, A.M.,Soni, N.B.,Tse, C.,Vedadi, M.,Michaelides, M.R.,Chiang, G.G.,Pappano, W.N. (登録日: 2013-12-05, 公開日: 2014-01-15, 最終更新日: 2024-02-28)

主引用文献

Sweis, R.F.,Pliushchev, M.,Brown, P.J.,Guo, J.,Li, F.,Maag, D.,Petros, A.M.,Soni, N.B.,Tse, C.,Vedadi, M.,Michaelides, M.R.,Chiang, G.G.,Pappano, W.N.
Discovery and development of potent and selective inhibitors of histone methyltransferase g9a.
ACS Med Chem Lett, 5:205-209, 2014

PubMed Abstract: G9a is a histone lysine methyltransferase responsible for the methylation of histone H3 lysine 9. The discovery of A-366 arose from a unique diversity screening hit, which was optimized by incorporation of a propyl-pyrrolidine subunit to occupy the enzyme lysine channel. A-366 is a potent inhibitor of G9a (IC50: 3.3 nM) with greater than 1000-fold selectivity over 21 other methyltransferases.

PubMed: 24900801
DOI: 10.1021/ml400496h

実験手法

X-RAY DIFFRACTION (2.03 Å)