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Structure paper

TitleStructure-based optimization of a series of selective BET inhibitors containing aniline or indoline groups.
Journal, issue, pagesEur. J. Med. Chem., Vol. 150, Page 156-175, Year 2018
Publish dateOct 31, 2017 (structure data deposition date)
AuthorsHu, J. / Wang, Y. / Li, Y. / Cao, D. / Xu, L. / Song, S. / Damaneh, M.S. / Li, J. / Chen, Y. / Wang, X. ...Hu, J. / Wang, Y. / Li, Y. / Cao, D. / Xu, L. / Song, S. / Damaneh, M.S. / Li, J. / Chen, Y. / Wang, X. / Chen, L. / Shen, J. / Miao, Z. / Xiong, B.
External linksEur. J. Med. Chem. / PubMed:29525435
MethodsX-ray diffraction
Resolution1.451 Å
Structure data

PDB-5yov:
Crystal structure of BRD4-BD1 bound with hjp126
Method: X-RAY DIFFRACTION / Resolution: 1.451 Å

Chemicals

ChemComp-8XR:
(3~{R})-4-cyclopentyl-~{N}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION/INHIBITOR / bromodomain / TRANSCRIPTION-INHIBITOR complex

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