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TitleCell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 1357-, Year 2016
Publish dateNov 27, 2015 (structure data deposition date)
AuthorsWestaway, S.M. / Preston, A.G.S. / Barker, M.D. / Brown, F. / Brown, J.A. / Campbell, M. / Chung, C. / Diallo, H. / Douault, C. / Drewes, G. ...Westaway, S.M. / Preston, A.G.S. / Barker, M.D. / Brown, F. / Brown, J.A. / Campbell, M. / Chung, C. / Diallo, H. / Douault, C. / Drewes, G. / Eagle, R. / Gordon, L. / Haslam, C. / Hayhow, T.G. / Humphreys, P.G. / Joberty, G. / Katso, R. / Kruidenier, L. / Leveridge, M. / Liddle, J. / Mosley, J. / Muelbaier, M. / Randle, R. / Rioja, I. / Rueger, A. / Seal, G.A. / Sheppard, R.J. / Singh, O. / Taylor, J. / Thomas, P. / Thomson, D. / Wilson, D.M. / Lee, K. / Prinjha, R.K.
External linksJ. Med. Chem. / PubMed:26771107
MethodsX-ray diffraction
Resolution1.91 - 2.05 Å
Structure data

PDB-5fp3:
Cell penetrant inhibitors of the JMJD2 (KDM4) and JARID1 (KDM5) families of histone lysine demethylases
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-5fp4:
Crystal structure of human KDM4D in complex with 3-(4- phenylbutanamido)pyridine-4-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-5fp8:
Crystal structure of human KDM4D in complex with 3-4-methylthiophen-2- ylmethylaminopyridine-4-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-5fp9:
Crystal structure of human KDM4D in complex with 3-aminopyridine-4- carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-5fpa:
Crystal structure of human KDM4D in complex with 3H,4H-pyrido-3,4-d- pyrimidin-4-one
Method: X-RAY DIFFRACTION / Resolution: 1.96 Å

PDB-5fpb:
Crystal structure of human KDM4D in complex with 2-1H-pyrazol-4-yloxy- 3H,4H-pyrido-3,4-d-pyrimidin-4-one
Method: X-RAY DIFFRACTION / Resolution: 1.91 Å

Chemicals

ChemComp-YC8:
3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-BCN:
BICINE / pH buffer*YM

ChemComp-CO:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-FE2:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-AUY:
3-[(4-methylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid

ChemComp-4SV:
3-AMINOPYRIDINE-4-CARBOXYLIC ACID

ChemComp-N5J:
3H-pyrido[3,4-d]pyrimidin-4-one

ChemComp-HA6:
2-(1H-pyrazol-4-yloxy)-3H-pyrido[3,4-d]pyrimidin-4-one

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / INHIBITOR / JMJD3 / KDM6B / JUMONJI / TRANSCRIPTION / LYSINE SPECIFIC HISTONE DEMETHYLASE / JMJD2D / KDM4D / OXIDOREDUCATSE

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