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Structure paper

Title1,3-Dimethyl Benzimidazolones are Potent, Selective Inhibitors of the Brpf1 Bromodomain.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 5, Page 1190-, Year 2014
Publish dateAug 30, 2014 (structure data deposition date)
AuthorsDemont, E.H. / Bamborough, P. / Chung, C.W. / Craggs, P.D. / Fallon, D. / Gordon, L.J. / Grandi, P. / Hobbs, C.I. / Hussain, J. / Jones, E.J. ...Demont, E.H. / Bamborough, P. / Chung, C.W. / Craggs, P.D. / Fallon, D. / Gordon, L.J. / Grandi, P. / Hobbs, C.I. / Hussain, J. / Jones, E.J. / Le Gall, A. / Michon, A.M. / Mitchell, D.J. / Prinjha, R.K. / Roberts, A.D. / Sheppard, R.J. / Watson, R.J.
External linksAcs Med. Chem. Lett. / PubMed:25408830
MethodsX-ray diffraction
Resolution1.37 - 1.65 Å
Structure data

PDB-4uyd:
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-dimethyl-2-oxo-2,3- dihydro-1H-1,3-benzodiazole-5-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 1.37 Å

PDB-4uye:
BROMODOMAIN OF HUMAN BRPF1 WITH N-1,3-dimethyl-2-oxo-6-(piperidin-1- yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl-2-methoxybenzamide
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

Chemicals

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-V1T:
1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide

ChemComp-HOH:
WATER

ChemComp-9F9:
N-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-benzimidazol-5-yl]-2-methoxybenzamide

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / INHIBITOR / HISTONE / EPIGENETIC READER / ANTAGONIST

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