6DQ6

LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N44 i.e. 3-((2-(pyridin-2-yl)-6-(4-(vinylsulfonyl)-1,4-diazepan-1-yl)pyrimidin-4-yl)amino)propanoic acid

6DQ6 の概要

• エントリーDOI: 10.2210/pdb6dq6/pdb
• 分子名称: Linked KDM5A Jmj Domain, N-{6-[4-(ethenylsulfonyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine, MANGANESE (II) ION, ... (6 entities in total)
• 機能のキーワード: demethylase inhibition, 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: 38602.50

構造登録者

Horton, J.R.,Cheng, X. (登録日: 2018-06-10, 公開日: 2018-11-21, 最終更新日: 2023-10-11)

• 主引用文献: Horton, J.R.,Woodcock, C.B.,Chen, Q.,Liu, X.,Zhang, X.,Shanks, J.,Rai, G.,Mott, B.T.,Jansen, D.J.,Kales, S.C.,Henderson, M.J.,Cyr, M.,Pohida, K.,Hu, X.,Shah, P.,Xu, X.,Jadhav, A.,Maloney, D.J.,Hall, M.D.,Simeonov, A.,Fu, H.,Vertino, P.M.,Cheng, X.; Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.; J. Med. Chem., 61:10588-10601, 2018; PubMed: 30392349; DOI: 10.1021/acs.jmedchem.8b01219

実験手法

X-RAY DIFFRACTION (1.587 Å)