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TitleA novel pan-selective bromodomain inhibitor for epigenetic drug design
Journal, issue, pagesEur. J. Med. Chem., Vol. 249, Page 115139-, Year 2023
Publish dateFeb 10, 2022 (structure data deposition date)
AuthorsWarstat, R. / Pervaiz, M. / Regenass, P. / Amann, M. / Schmidtkunz, K. / Einsle, O. / Jung, M. / Breit, B. / Hugle, M. / Gunther, S.
External linksEur. J. Med. Chem. / Search PubMed
MethodsX-ray diffraction
Resolution1.77 Å
Structure data

PDB-7r5b:
Crystal structure of BRD4(1) in complex with the inhibitor MPM2
Method: X-RAY DIFFRACTION / Resolution: 1.77 Å

Chemicals

ChemComp-I5K:
1-(3-aminophenyl)-3-methyl-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one

ChemComp-BU3:
(R,R)-2,3-BUTANEDIOL

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

ChemComp-P6G:
HEXAETHYLENE GLYCOL / precipitant*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsPROTEIN BINDING / BRD4 / BRD4(1) / BET / MPM2 / Bromodomain / inhibitor / co-crystal / cocrystal / fragment

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