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Structure paper

TitleDesign of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models.
Journal, issue, pagesACS Med Chem Lett, Vol. 8, Page 869-874, Year 2017
Publish dateApr 11, 2017 (structure data deposition date)
AuthorsChen, Y.K. / Bonaldi, T. / Cuomo, A. / Del Rosario, J.R. / Hosfield, D.J. / Kanouni, T. / Kao, S.C. / Lai, C. / Lobo, N.A. / Matuszkiewicz, J. ...Chen, Y.K. / Bonaldi, T. / Cuomo, A. / Del Rosario, J.R. / Hosfield, D.J. / Kanouni, T. / Kao, S.C. / Lai, C. / Lobo, N.A. / Matuszkiewicz, J. / McGeehan, A. / O'Connell, S.M. / Shi, L. / Stafford, J.A. / Stansfield, R.K. / Veal, J.M. / Weiss, M.S. / Yuen, N.Y. / Wallace, M.B.
External linksACS Med Chem Lett / PubMed:28835804
MethodsX-ray diffraction
Resolution2.07 - 2.48 Å
Structure data

PDB-5vgi:
Crystal Structure of KDM4 with the Small Molecule Inhibitor QC6352
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

PDB-5vmp:
Crystal Structure of Human KDM4 with Small Molecule Inhibitor QC5714
Method: X-RAY DIFFRACTION / Resolution: 2.48 Å

Chemicals

ChemComp-NI:
NICKEL (II) ION

ChemComp-ZN:
Unknown entry

ChemComp-9DJ:
3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid

ChemComp-HOH:
WATER

ChemComp-9FJ:
3-({[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl}amino)pyridine-4-carboxylic acid

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/INHIBITOR / KDM4 / Protein-Inhibitor Complex / demethylase / epigenetics / OXIDOREDUCTASE-INHIBITOR complex / Inhibitor-complex

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