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Structure paper

TitleStructure-based design and discovery of potent and selective KDM5 inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 28, Page 1490-1494, Year 2018
Publish dateFeb 19, 2018 (structure data deposition date)
AuthorsNie, Z. / Shi, L. / Lai, C. / O'Connell, S.M. / Xu, J. / Stansfield, R.K. / Hosfield, D.J. / Veal, J.M. / Stafford, J.A.
External linksBioorg. Med. Chem. Lett. / PubMed:29627262
MethodsX-ray diffraction
Resolution2.16 - 2.34 Å
Structure data

PDB-6cg1:
Crystal Structure of KDM4A with Compound 14
Method: X-RAY DIFFRACTION / Resolution: 2.16 Å

PDB-6cg2:
Crystal Structure of KDM4A with Compound 8
Method: X-RAY DIFFRACTION / Resolution: 2.34 Å

Chemicals

ChemComp-NI:
NICKEL (II) ION

ChemComp-ZN:
Unknown entry

ChemComp-QC1:
3-{[(4-fluorophenyl)methyl]amino}pyridine-4-carboxylic acid

ChemComp-HOH:
WATER

ChemComp-QC2:
2-[5-(3-hydroxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/INHIBITOR / KDM4A / Small Molecule Inhibitor / Demethylase / OXIDOREDUCTASE / OXIDOREDUCTASE-INHIBITOR complex

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