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Structure paper

TitleDesign and characterization of bivalent BET inhibitors.
Journal, issue, pagesNat. Chem. Biol., Vol. 12, Page 1089-1096, Year 2016
Publish dateMay 12, 2016 (structure data deposition date)
AuthorsTanaka, M. / Roberts, J.M. / Seo, H.S. / Souza, A. / Paulk, J. / Scott, T.G. / DeAngelo, S.L. / Dhe-Paganon, S. / Bradner, J.E.
External linksNat. Chem. Biol. / PubMed:27775715
MethodsX-ray diffraction
Resolution1.71 Å
Structure data

PDB-5jwm:
Bivalent BET Bromodomain Inhibition
Method: X-RAY DIFFRACTION / Resolution: 1.71 Å

Chemicals

ChemComp-6ON:
2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]-~{N}-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
Keywordstranscription/transcription inhibitor / bivalent-ligand / bromodomain / inhibitor / transcription-transcription inhibitor complex

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