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TitleBenzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 4002-4022, Year 2017
Publish dateNov 20, 2016 (structure data deposition date)
AuthorsBouche, L. / Christ, C.D. / Siegel, S. / Fernandez-Montalvan, A.E. / Holton, S.J. / Fedorov, O. / Ter Laak, A. / Sugawara, T. / Stockigt, D. / Tallant, C. ...Bouche, L. / Christ, C.D. / Siegel, S. / Fernandez-Montalvan, A.E. / Holton, S.J. / Fedorov, O. / Ter Laak, A. / Sugawara, T. / Stockigt, D. / Tallant, C. / Bennett, J. / Monteiro, O. / Diaz-Saez, L. / Siejka, P. / Meier, J. / Putter, V. / Weiske, J. / Muller, S. / Huber, K.V.M. / Hartung, I.V. / Haendler, B.
External linksJ. Med. Chem. / PubMed:28402630
MethodsX-ray diffraction
Resolution1.75 - 1.94 Å
Structure data

PDB-5mg2:
Crystal structure of the second bromodomain of human TAF1 in complex with BAY-299 chemical probe
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-5n49:
BRPF2 in complex with Compound 7
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-7M8:
6-(3-oxidanylpropyl)-2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione

ChemComp-HOH:
WATER

ChemComp-8LW:
2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / Structural Genomics / Structural Genomics Consortium / SGC / bromodomain / chemical probe

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