6BGY

LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound 46)

6BGY の概要

• エントリーDOI: 10.2210/pdb6bgy/pdb
• 分子名称: Lysine-specific demethylase 5A,linked KDM5A JMJ domain, 2-[(S)-(2-chlorophenyl){2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy}methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, MANGANESE (II) ION, ... (7 entities in total)
• 機能のキーワード: demethylase inhibition, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 38910.30

構造登録者

Horton, J.R.,Cheng, X. (登録日: 2017-10-29, 公開日: 2018-03-28, 最終更新日: 2023-10-04)

• 主引用文献: Horton, J.R.,Liu, X.,Wu, L.,Zhang, K.,Shanks, J.,Zhang, X.,Rai, G.,Mott, B.T.,Jansen, D.J.,Kales, S.C.,Henderson, M.J.,Pohida, K.,Fang, Y.,Hu, X.,Jadhav, A.,Maloney, D.J.,Hall, M.D.,Simeonov, A.,Fu, H.,Vertino, P.M.,Yan, Q.,Cheng, X.; Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.; J. Med. Chem., 61:3193-3208, 2018; PubMed: 29537847; DOI: 10.1021/acs.jmedchem.8b00261

実験手法

X-RAY DIFFRACTION (1.22 Å)