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Structure paper

TitleGSK789: A Selective Inhibitor of the First Bromodomains (BD1) of the Bromo and Extra Terminal Domain (BET) Proteins.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 9045-9069, Year 2020
Publish dateMay 31, 2020 (structure data deposition date)
AuthorsWatson, R.J. / Bamborough, P. / Barnett, H. / Chung, C.W. / Davis, R. / Gordon, L. / Grandi, P. / Petretich, M. / Phillipou, A. / Prinjha, R.K. ...Watson, R.J. / Bamborough, P. / Barnett, H. / Chung, C.W. / Davis, R. / Gordon, L. / Grandi, P. / Petretich, M. / Phillipou, A. / Prinjha, R.K. / Rioja, I. / Soden, P. / Werner, T. / Demont, E.H.
External linksJ. Med. Chem. / PubMed:32691589
MethodsX-ray diffraction
Resolution1.26 - 1.624 Å
Structure data

PDB-6z7l:
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with GSK789
Method: X-RAY DIFFRACTION / Resolution: 1.624 Å

PDB-6z7m:
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 (3R,4R)-N-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 1.26 Å

Chemicals

ChemComp-QAN:
(3~{R},4~{R})-~{N}-cyclohexyl-4-[[5-(furan-2-yl)-3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl]amino]-1-methyl-piperidine-3-carboxamide

ChemComp-HOH:
WATER

ChemComp-QAZ:
(3R,4R)-N-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / INHIBITOR / HISTONE / EPIGENETIC READER / BROMODOMAIN / BRD4 / BROMODOMAIN CONTAINING PROTEIN 4 / ANTAGONIST

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