6BH4
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 5-(1-(tert-butyl)-1H-pyrazol-4-yl)-6-isopropyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (Compound N75/CPI-48)
Summary for 6BH4
Entry DOI | 10.2210/pdb6bh4/pdb |
Descriptor | Lysine-specific demethylase 5A, linked KDM5A JMJ domain, 5-(1-tert-butyl-1H-pyrazol-4-yl)-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, MANGANESE (II) ION, ... (6 entities in total) |
Functional Keywords | demethylase inhibition, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor |
Biological source | Homo sapiens (Human) More |
Total number of polymer chains | 1 |
Total formula weight | 38850.72 |
Authors | Horton, J.R.,Cheng, X. (deposition date: 2017-10-29, release date: 2018-03-28, Last modification date: 2023-10-04) |
Primary citation | 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 Cited by PubMed: 29537847DOI: 10.1021/acs.jmedchem.8b00261 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.047 Å) |
Structure validation
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