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
Summary for 6DQ6
Entry DOI | 10.2210/pdb6dq6/pdb |
Descriptor | 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) |
Functional Keywords | demethylase inhibition, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor |
Biological source | Homo sapiens (Human) More |
Total number of polymer chains | 1 |
Total formula weight | 38602.50 |
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 Cited by PubMed: 30392349DOI: 10.1021/acs.jmedchem.8b01219 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.587 Å) |
Structure validation
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