Title Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds. Journal, issue, pages Cell Chem Biol , Vol. 23, Page 769-781, Year 2016Publish date Mar 15, 2016 (structure data deposition date) AuthorsHorton, J.R. / Liu, X. / Gale, M. / Wu, L. / Shanks, J.R. / Zhang, X. / Webber, P.J. / Bell, J.S. / Kales, S.C. / Mott, B.T. ...Horton, J.R. / Liu, X. / Gale, M. / Wu, L. / Shanks, J.R. / Zhang, X. / Webber, P.J. / Bell, J.S. / Kales, S.C. / Mott, B.T. / Rai, G. / Jansen, D.J. / Henderson, M.J. / Urban, D.J. / Hall, M.D. / Simeonov, A. / Maloney, D.J. / Johns, M.A. / Fu, H. / Jadhav, A. / Vertino, P.M. / Yan, Q. / Cheng, X. External links Cell Chem Biol / PubMed:27427228Methods X-ray diffraction Resolution 1.389 - 2.289 Å Structure data PDB-5isl : Structure viewer Linked KDM5A Jmj Domain Bound to the Inhibitor C49 (2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid)Method : X-RAY DIFFRACTION / Resolution : 1.694 Å
PDB-5ivb : Structure viewer A High Resolution Structure of a Linked KDM5A Jmj Domain with Alpha-KetoglutarateMethod : X-RAY DIFFRACTION / Resolution : 1.389 Å
PDB-5ivc : Structure viewer Linked KDM5A Jmj Domain Bound to the Inhibitor N3 (4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid)Method : X-RAY DIFFRACTION / Resolution : 1.573 Å
PDB-5ive : Structure viewer Linked KDM5A Jmj Domain Bound to the Inhibitor N8 ( 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile) Method : X-RAY DIFFRACTION / Resolution : 1.783 Å
PDB-5ivf : Structure viewer Linked KDM5A Jmj Domain Bound to the Inhibitor N10 8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol Method : X-RAY DIFFRACTION / Resolution : 1.683 Å
PDB-5ivj : Structure viewer Linked KDM5A Jmj Domain Bound to the Inhibitor N11 [3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid]Method : X-RAY DIFFRACTION / Resolution : 1.569 Å
PDB-5ivv : Structure viewer Linked KDM5A Jmj Domain Bound to the Inhibitor N12 [3-((1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino)isonicotinic acid]Method : X-RAY DIFFRACTION / Resolution : 1.848 Å
PDB-5ivy : Structure viewer Linked KDM5A Jmj Domain Bound to the Inhibitor N16 [3-(2-(4-chlorophenyl)acetamido)isonicotinic acid]Method : X-RAY DIFFRACTION / Resolution : 1.45 Å
PDB-5iw0 : Structure viewer Linked KDM5A Jmj Domain Bound to the Inhibitor N19 [2-(5-((4-chloro-2-methylbenzyl)oxy)-1H-pyrazol-1-yl)isonicotinic acid]Method : X-RAY DIFFRACTION / Resolution : 1.63 Å
PDB-5iwf : Structure viewer Linked KDM5A Jmj Domain Bound to the Inhibitor 2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinamid Method : X-RAY DIFFRACTION / Resolution : 2.289 Å
Chemicals ChemComp-MMK : Structure viewer 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid
ChemComp-EDO : Structure viewer 1,2-ETHANEDIOL / Ethylene glycol
ChemComp-AKG : Structure viewer 2-OXOGLUTARIC ACID / Α-Ketoglutaric acid
ChemComp-6E7 : Structure viewer 4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid
ChemComp-6E8 : Structure viewer 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
ChemComp-6EB : Structure viewer 8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol
ChemComp-6ED : Structure viewer 3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid
ChemComp-DMS : Structure viewer DIMETHYL SULFOXIDE / DMSO, precipitant*YM / Dimethyl sulfoxide
ChemComp-6EN : Structure viewer 3-[(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid
ChemComp-6EO : Structure viewer 3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid
ChemComp-6EP : Structure viewer 2-{5-[(4-chloro-2-methylphenyl)methoxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid
ChemComp-LQT : Structure viewer 2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide
Source homo sapiens (human) Keywords OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / demethylase inhibition / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex