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Structure paper

TitleStructural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Journal, issue, pagesFebs J., Vol. 286, Page 1656-1667, Year 2019
Publish dateAug 28, 2018 (structure data deposition date)
AuthorsYokoyama, T. / Matsumoto, K. / Ostermann, A. / Schrader, T.E. / Nabeshima, Y. / Mizuguchi, M.
External linksFebs J. / PubMed:30565859
MethodsX-ray diffraction / neutron diffraction
Resolution1.301 - 1.887 Å
Structure data

PDB-6ajv:
Crystal structure of BRD4 in complex with isoliquiritigenin and DMSO (Cocktail No. 3)
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-6ajw:
Crystal structure of BRD4 in complex with DMSO (Cocktail No. 4)
Method: X-RAY DIFFRACTION / Resolution: 1.401 Å

PDB-6ajx:
Crystal structure of BRD4 in complex with isoliquiritigenin in the absence of DMSO
Method: X-RAY DIFFRACTION / Resolution: 1.887 Å

PDB-6ajy:
Crystal structure of BRD4 in complex with 2',4'-dihydroxy-2-methoxychalcone
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-6ajz:
Joint nentron and X-ray structure of BRD4 in complex with colchicin
Method: X-RAY DIFFRACTION / NEUTRON DIFFRACTION / Resolution: 1.301 Å

Chemicals

ChemComp-NA:
Unknown entry

ChemComp-HCC:
2',4,4'-TRIHYDROXYCHALCONE

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

ChemComp-HOH:
WATER

ChemComp-A0R:
2',4'-dihydroxy-2-methoxychalcone

ChemComp-LOC:
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide

ChemComp-DOD:
DEUTERATED WATER

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / bromodomain / brd4 / inhibitor / isoliquiritigenin

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