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Structure paper

TitleDiscovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 24, Page 2493-2496, Year 2014
Publish dateApr 15, 2014 (structure data deposition date)
AuthorsZhao, H. / Gartenmann, L. / Dong, J. / Spiliotopoulos, D. / Caflisch, A.
External linksBioorg. Med. Chem. Lett. / PubMed:24767840
MethodsX-ray diffraction
Resolution1.25 - 1.293 Å
Structure data

PDB-4pce:
Crystal Structure of the first bromodomain of human BRD4 in complex with compound B13
Method: X-RAY DIFFRACTION / Resolution: 1.293 Å

PDB-4pci:
Crystal Structure of the first bromodomain of BRD4 in complex with B16
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-2N0:
1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one

ChemComp-HOH:
WATER

ChemComp-2NJ:
(4S)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one

Source
  • homo sapiens (human)
KeywordsTranscription/transcription Inhibitor / Transcription-transcription Inhibitor complex

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