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Structure paper

TitleLP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 54, Page 6217-6221, Year 2015
Publish dateApr 5, 2015 (structure data deposition date)
AuthorsClark, P.G. / Vieira, L.C. / Tallant, C. / Fedorov, O. / Singleton, D.C. / Rogers, C.M. / Monteiro, O.P. / Bennett, J.M. / Baronio, R. / Muller, S. ...Clark, P.G. / Vieira, L.C. / Tallant, C. / Fedorov, O. / Singleton, D.C. / Rogers, C.M. / Monteiro, O.P. / Bennett, J.M. / Baronio, R. / Muller, S. / Daniels, D.L. / Mendez, J. / Knapp, S. / Brennan, P.E. / Dixon, D.J.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:25864491
MethodsX-ray diffraction
Resolution1.8 - 1.95 Å
Structure data

PDB-4z6h:
Crystal structure of BRD9 bromodomain in complex with a valerolactam quinolone ligand
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-4z6i:
Crystal structure of BRD9 bromodomain in complex with a substituted valerolactam quinolone ligand
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-4L2:
1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1H)-one

ChemComp-HOH:
WATER

ChemComp-4L3:
tert-butyl [(2R,3S)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / lysine-acetylated histone binding / chromatin regulator / Bromodomain / Structural Genomics / Structural Genomics Consortium / SGC

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