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TitleNaphthyridines as Novel Bet Family Bromodomain Inhibitors.
Journal, issue, pagesChemmedchem, Vol. 9, Page 589-, Year 2014
Publish dateJun 29, 2013 (structure data deposition date)
AuthorsMirguet, O. / Lamotte, Y. / Chung, C. / Bamborough, P. / Delannee, D. / Bouillot, A. / Gellibert, F. / Krysa, G. / Lewis, A. / Witherington, J. ...Mirguet, O. / Lamotte, Y. / Chung, C. / Bamborough, P. / Delannee, D. / Bouillot, A. / Gellibert, F. / Krysa, G. / Lewis, A. / Witherington, J. / Huet, P. / Dudit, Y. / Trottet, L. / Nicodeme, E.
External linksChemmedchem / PubMed:24000170
MethodsX-ray diffraction
Resolution1.4 - 1.92 Å
Structure data

PDB-4bw1:
The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-4bw2:
The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand
Method: X-RAY DIFFRACTION / Resolution: 1.92 Å

PDB-4bw3:
The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-4bw4:
The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand
Method: X-RAY DIFFRACTION / Resolution: 1.67 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-S5B:
4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid

ChemComp-HOH:
WATER

ChemComp-UTH:
4-((2-(TERT-BUTYL)PHENYL)AMINO)-7-(3,5-dimethylisoxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid

ChemComp-9BM:
4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid

ChemComp-9B6:
7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-1-(2-(trifluoromethoxy)phenyl)-1h-imidazo[4,5-c][1,5]naphthyridin-2(3h)-one

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

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