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Structure paper

TitleDesign, Synthesis, and Biological Activity of 1,2,3-Triazolobenzodiazepine BET Bromodomain Inhibitors.
Journal, issue, pagesACS Med Chem Lett, Vol. 8, Page 1298-1303, Year 2017
Publish dateDec 9, 2016 (structure data deposition date)
AuthorsSharp, P.P. / Garnier, J.M. / Hatfaludi, T. / Xu, Z. / Segal, D. / Jarman, K.E. / Jousset, H. / Garnham, A. / Feutrill, J.T. / Cuzzupe, A. ...Sharp, P.P. / Garnier, J.M. / Hatfaludi, T. / Xu, Z. / Segal, D. / Jarman, K.E. / Jousset, H. / Garnham, A. / Feutrill, J.T. / Cuzzupe, A. / Hall, P. / Taylor, S. / Walkley, C.R. / Tyler, D. / Dawson, M.A. / Czabotar, P. / Wilks, A.F. / Glaser, S. / Huang, D.C.S. / Burns, C.J.
External linksACS Med Chem Lett / PubMed:29259751
MethodsX-ray diffraction
Resolution1.775 Å
Structure data

PDB-5u6v:
X-ray crystal structure of 1,2,3-triazolobenzodiazepine in complex with BRD2(D2)
Method: X-RAY DIFFRACTION / Resolution: 1.775 Å

Chemicals

ChemComp-7WY:
5-[7-(4-chlorophenyl)-1-methyl-6,7-dihydro-5H-[1,2,3]triazolo[1,5-d][1,4]benzodiazepin-9-yl]pyridin-2-amine

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
Keywordstranscription/transcription inhibitor / Bromodomain / benzodiazepine / epigenetics / transcription-transcription inhibitor complex

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