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Title4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 52, Page 14055-14059, Year 2013
Publish dateJul 31, 2013 (structure data deposition date)
AuthorsLucas, X. / Wohlwend, D. / Hugle, M. / Schmidtkunz, K. / Gerhardt, S. / Schule, R. / Jung, M. / Einsle, O. / Gunther, S.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:24272870
MethodsX-ray diffraction
Resolution1.3 - 2.2 Å
Structure data

PDB-4lyi:
Crystal Structure of apo-BRD4(1)
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-4lys:
Crystal Structure of BRD4(1) bound to Colchiceine
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

PDB-4lyw:
Crystal Structure of BRD4(1) bound to inhibitor XD14
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-4lzr:
Crystal Structure of BRD4(1) bound to Colchicine
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-4lzs:
Crystal Structure of BRD4(1) bound to inhibitor XD46
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-IOD:
IODIDE ION

ChemComp-NA:
Unknown entry

ChemComp-21H:
oxydimethanol

ChemComp-HOH:
WATER

ChemComp-2SJ:
N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

ChemComp-21Q:
4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

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

ChemComp-L46:
4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide

Source
  • homo sapiens (human)
KeywordsPROTEIN BINDING / bromodomain / epigenetic reader protein / acetylated lysin / histone tail / nucleus / PROTEIN BINDING/INHIBITOR / BRD4 inhibitor / acetylated lysine / PROTEIN BINDING-INHIBITOR complex

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