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Structure paper

TitleHighly selective inhibition of histone demethylases by de novo macrocyclic peptides.
Journal, issue, pagesNat Commun, Vol. 8, Page 14773-14773, Year 2017
Publish dateSep 23, 2016 (structure data deposition date)
AuthorsKawamura, A. / Munzel, M. / Kojima, T. / Yapp, C. / Bhushan, B. / Goto, Y. / Tumber, A. / Katoh, T. / King, O.N. / Passioura, T. ...Kawamura, A. / Munzel, M. / Kojima, T. / Yapp, C. / Bhushan, B. / Goto, Y. / Tumber, A. / Katoh, T. / King, O.N. / Passioura, T. / Walport, L.J. / Hatch, S.B. / Madden, S. / Muller, S. / Brennan, P.E. / Chowdhury, R. / Hopkinson, R.J. / Suga, H. / Schofield, C.J.
External linksNat Commun / PubMed:28382930
MethodsX-ray diffraction
Resolution2.43 - 2.5 Å
Structure data

PDB-5ly1:
JMJD2A/ KDM4A COMPLEXED WITH NI(II) AND Macrocyclic PEPTIDE Inhibitor CP2 (13-mer)
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-5ly2:
JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Macrocyclic PEPTIDE Inhibitor CP2_R6Kme3 (13-mer)
Method: X-RAY DIFFRACTION / Resolution: 2.43 Å

Chemicals

ChemComp-NI:
NICKEL (II) ION

ChemComp-ZN:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-PPI:
PROPANOIC ACID

ChemComp-HOH:
WATER

ChemComp-OGA:
N-OXALYLGLYCINE / inhibitor*YM

Source
  • homo sapiens (human)
  • synthetic construct (others)
KeywordsOXIDOREDUCTASE / JMJD2A / KDM4A / NON-HEME / IRON / 2-OXOGLUTARATE / DIOXYGENASE / OXYGENASE / DOUBLE-STRANDED BETA HELIX / DSBH / FACIAL TRIAD / DEMETHYLASE / HISTONE / JMJC DOMAIN / METAL BINDING PROTEIN / EPIGENETIC AND TRANSCRIPTION REGULATION / CHROMATIN REGULATOR / HYDROXYLATION

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