6DQ9

Linked KDM5A JMJ Domain Bound to the Covalent Inhibitor N69 i.e. [2-((3-acrylamidophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid]

Summary for 6DQ9

• Entry DOI: 10.2210/pdb6dq9/pdb
• Descriptor: Linked KDM5A Jmj Domain, 2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, MANGANESE (II) ION, ... (7 entities in total)
• Functional Keywords: demethylase inhibition, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 1
• Total formula weight: 38837.84

Authors

Horton, J.R.,Cheng, X. (deposition date: 2018-06-10, release date: 2018-11-21, Last modification date: 2023-10-11)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (1.748 Å)