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TitleMolecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 9316-9334, Year 2018
Publish dateSep 17, 2018 (structure data deposition date)
AuthorsDivakaran, A. / Talluri, S.K. / Ayoub, A.M. / Mishra, N.K. / Cui, H. / Widen, J.C. / Berndt, N. / Zhu, J.Y. / Carlson, A.S. / Topczewski, J.J. ...Divakaran, A. / Talluri, S.K. / Ayoub, A.M. / Mishra, N.K. / Cui, H. / Widen, J.C. / Berndt, N. / Zhu, J.Y. / Carlson, A.S. / Topczewski, J.J. / Schonbrunn, E.K. / Harki, D.A. / Pomerantz, W.C.K.
External linksJ. Med. Chem. / PubMed:30253095
MethodsX-ray diffraction
Resolution1.6 - 1.74 Å
Structure data

PDB-6mh1:
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH HU-10, A 1,4,5-Trisubstituted Imidazole Analogue
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-6mh7:
Crystal structure of the first bromodomain of human BRD4 in complex with SKT-68, a 1,4,5-trisubstituted imidazole analogue
Method: X-RAY DIFFRACTION / Resolution: 1.74 Å

Chemicals

ChemComp-JQP:
N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-JQY:
N-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION/TRANSCRIPTION INHIBITOR / CAP / HUNK1 / MCAP / PROTEIN BINDING-INHIBITOR COMPLEX / INHIBITOR / TRANSCRIPTION-INHIBITOR COMPLEX / Inflammation / MAP-Kinase Inhibition / TRANSCRIPTION-TRANSCRIPTION INHIBITOR complex / PROTEIN BINDING/INHIBITOR / bromodomain / 19F-NMR

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