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TitleSelective N-Terminal BET Bromodomain Inhibitors by Targeting Non-Conserved Residues and Structured Water Displacement*.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 60, Page 1220-1226, Year 2021
Publish dateApr 6, 2020 (structure data deposition date)
AuthorsCui, H. / Divakaran, A. / Pandey, A.K. / Johnson, J.A. / Zahid, H. / Hoell, Z.J. / Ellingson, M.O. / Shi, K. / Aihara, H. / Harki, D.A. / Pomerantz, W.C.K.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:32975004
MethodsX-ray diffraction
Resolution1.53 Å
Structure data

PDB-6wgx:
Cocrystal of BRD4(D1) with a selective inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.53 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-U0D:
4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsGENE REGULATION/INHIBITOR / BRD4 / GENE REGULATION / GENE REGULATION-INHIBITOR complex

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