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Structure paper

TitleBenzodiazepines and benzotriazepines as protein interaction inhibitors targeting bromodomains of the BET family.
Journal, issue, pagesBioorg. Med. Chem., Vol. 20, Page 1878-1886, Year 2012
Publish dateOct 11, 2011 (structure data deposition date)
AuthorsFilippakopoulos, P. / Picaud, S. / Fedorov, O. / Keller, M. / Wrobel, M. / Morgenstern, O. / Bracher, F. / Knapp, S.
External linksBioorg. Med. Chem. / PubMed:22137933
MethodsX-ray diffraction
Resolution1.39 - 1.8 Å
Structure data

PDB-3u5j:
Crystal Structure of the first bromodomain of human BRD4 in complex with Alprazolam
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-3u5k:
Crystal Structure of the first bromodomain of human BRD4 in complex with Midazolam
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3u5l:
Crystal Structure of the first bromodomain of human BRD4 in complex with a benzo-triazepine ligand (BzT-7)
Method: X-RAY DIFFRACTION / Resolution: 1.39 Å

Chemicals

ChemComp-08H:
8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-08J:
8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine / medication*YM

ChemComp-08K:
8-chloro-1,4-dimethyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN/INHIBITOR / Bromodomain-containing protein 4 isoform long / BRD4 / Bromodomain containing protein 4 / CAP / HUNK1 / MCAP / Mitotic chromosome associated protein / Structural Genomics Consortium / SGC / SIGNALING PROTEIN-INHIBITOR complex

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