Database of articles cited by EMDB/PDB/SASBDB data

Keywords
Structure methods	All X-ray diffraction NMR electron microscopy small angle scattering neutron diffraction fiber diffraction powder diffraction infrared spectroscopy EPR fluorescence transfer theoretical model Hybrid
Author
Journal
IF	>30 >20 >10 >5 all

Title	8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
Journal, issue, pages	J. Med. Chem., Vol. 59, Page 1388-1409, Year 2016
Publish date	Dec 2, 2015 (structure data deposition date)
Authors	Bavetsias, V. / Lanigan, R.M. / Ruda, G.F. / Atrash, B. / McLaughlin, M.G. / Tumber, A. / Mok, N.Y. / Le Bihan, Y.V. / Dempster, S. / Boxall, K.J. ...Bavetsias, V. / Lanigan, R.M. / Ruda, G.F. / Atrash, B. / McLaughlin, M.G. / Tumber, A. / Mok, N.Y. / Le Bihan, Y.V. / Dempster, S. / Boxall, K.J. / Jeganathan, F. / Hatch, S.B. / Savitsky, P. / Velupillai, S. / Krojer, T. / England, K.S. / Sejberg, J. / Thai, C. / Donovan, A. / Pal, A. / Scozzafava, G. / Bennett, J.M. / Kawamura, A. / Johansson, C. / Szykowska, A. / Gileadi, C. / Burgess-Brown, N.A. / von Delft, F. / Oppermann, U. / Walters, Z. / Shipley, J. / Raynaud, F.I. / Westaway, S.M. / Prinjha, R.K. / Fedorov, O. / Burke, R. / Schofield, C.J. / Westwood, I.M. / Bountra, C. / Muller, S. / van Montfort, R.L. / Brennan, P.E. / Blagg, J.
External links	J. Med. Chem. / PubMed:26741168
Methods	X-ray diffraction
Resolution	1.41 - 2.65 Å
Structure data	PDB-5f2s: Crystal structure of human KDM4A in complex with compound 15 Method: X-RAY DIFFRACTION / Resolution: 2.08 Å PDB-5f2w: Crystal structure of human KDM4A in complex with compound 16 Method: X-RAY DIFFRACTION / Resolution: 2.6 Å PDB-5f32: Crystal structure of human KDM4A in complex with compound 40 Method: X-RAY DIFFRACTION / Resolution: 2.05 Å PDB-5f37: Crystal structure of human KDM4A in complex with compound 58 Method: X-RAY DIFFRACTION / Resolution: 2.22 Å PDB-5f39: Crystal structure of human KDM4A in complex with compound 37 Method: X-RAY DIFFRACTION / Resolution: 2.65 Å PDB-5f3c: Crystal structure of human KDM4A in complex with compound 52d Method: X-RAY DIFFRACTION / Resolution: 2.06 Å PDB-5f3e: Crystal structure of human KDM4A in complex with compound 54a Method: X-RAY DIFFRACTION / Resolution: 2.16 Å PDB-5f3g: Crystal structure of human KDM4A in complex with compound 53a Method: X-RAY DIFFRACTION / Resolution: 2.5 Å PDB-5f3i: Crystal structure of human KDM4A in complex with compound 54j Method: X-RAY DIFFRACTION / Resolution: 2.24 Å PDB-5f5a: Crystal Structure of human JMJD2D complexed with KDOAM16 Method: X-RAY DIFFRACTION / Resolution: 1.41 Å PDB-5f5c: Crystal Structure of human JMJD2D complexed with KDOPP7 Method: X-RAY DIFFRACTION / Resolution: 1.88 Å PDB-5f5i: Crystal Structure of human JMJD2A complexed with KDOOA011340 Method: X-RAY DIFFRACTION / Resolution: 2.63 Å PDB-5fpl: Crystal structure of human JARID1B in complex with CCT363901 Method: X-RAY DIFFRACTION / Resolution: 2.35 Å
Chemicals	ChemComp-ZN: Unknown entry ChemComp-5TZ: 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid ChemComp-EDO: 1,2-ETHANEDIOL ChemComp-DMS: DIMETHYL SULFOXIDE / DMSO, precipitantYM ChemComp-CL: Unknown entry ChemComp-HOH: WATER ChemComp-5UP: 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxamide ChemComp-5V7: 8-(2-azanyl-1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one ChemComp-GOL: GLYCEROL ChemComp-N5J: 3H-pyrido[3,4-d]pyrimidin-4-one ChemComp-5UB: 8-(1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one ChemComp-5U8: 8-[4-[2-[(4-fluorophenyl)methyl-methyl-amino]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one ChemComp-5UO: 8-[4-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one ChemComp-5UL: 8-[4-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one ChemComp-5UJ: 8-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one ChemComp-NI: NICKEL (II) ION ChemComp-5V0: 2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid ChemComp-SO4: SULFATE ION ChemComp-5V3: 8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one ChemComp-5V1: 2-[[(phenylmethyl)amino]methyl]pyridine-4-carboxylic acid ChemComp-MN: Unknown entry ChemComp-QAY*: 8-[4-(2-azanylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
Source	homo sapiens (human)
Keywords	OXIDOREDUCTASE / Epigenetics / Demethylase / Inhibitor / Oxidoreductase/Inhibitor / Oxidoreductase-Inhibitor Complex / DOUBLE-STRANDED BETA HELIX / OXYGENASE / Structural Genomics / Structural Genomics Consortium / SGC / LYSINE-SPECIFIC DEMETHYLASE 5B