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Structure paper

TitleAcetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Journal, issue, pagesAcs Chem. Biol., Vol. 9, Page 1160-1171, Year 2014
Publish dateDec 24, 2013 (structure data deposition date)
AuthorsEmber, S.W. / Zhu, J.Y. / Olesen, S.H. / Martin, M.P. / Becker, A. / Berndt, N. / Georg, G.I. / Schonbrunn, E.
External linksAcs Chem. Biol. / PubMed:24568369
MethodsX-ray diffraction
Resolution1.34 - 2 Å
Structure data

PDB-4o70:
Crystal structure of the first bromodomain of human BRD4 in complex with DINACICLIB
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-4o71:
Crystal structure of the first bromodomain of human BRD4 in complex with FLAVOPIRIDOL
Method: X-RAY DIFFRACTION / Resolution: 1.36 Å

PDB-4o72:
Crystal structure of the first bromodomain of human BRD4 in complex with NU7441
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-4o74:
Crystal structure of the first bromodomain of human BRD4 in complex with BI 2536
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-4o75:
Crystal structure of the first bromodomain of human BRD4 in complex with FOSTAMATINIB
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-4o76:
Crystal structure of the first bromodomain of human BRD4 in complex with TG101209
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-4o77:
Crystal structure of the first bromodomain of human BRD4 in complex with SB 202190
Method: X-RAY DIFFRACTION / Resolution: 2.0 Å

PDB-4o78:
Crystal structure of the first bromodomain of human BRD4 in complex with GW612286X
Method: X-RAY DIFFRACTION / Resolution: 1.34 Å

PDB-4o7a:
Crystal structure of the first bromodomain of human BRD4 in complex with SB-409514
Method: X-RAY DIFFRACTION / Resolution: 1.34 Å

PDB-4o7b:
Crystal structure of the first bromodomain of human BRD4 in complex with SB-284847-BT
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-4o7c:
Crystal structure of the first bromodomain of human BRD4 in complex with SB-614067-R
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-4o7e:
Crystal structure of the first bromodomain of human BRD4 in complex with SB-610251-B
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-4o7f:
Crystal structure of the first bromodomain of human BRD4 in complex with SB-251527
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-4ps5:
Crystal structure of the first bromodomain of human BRD4 in complex with TG101348
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

Chemicals

ChemComp-1QK:
3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium / Dinaciclib

ChemComp-EDO:
1,2-ETHANEDIOL / Ethylene glycol

ChemComp-HOH:
WATER / Water

ChemComp-CPB:
2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE / inhibitor, alkaloid*YM / Alvocidib

ChemComp-2R4:
8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER / Diethylene glycol

ChemComp-CL:
Unknown entry / Chloride

ChemComp-R78:
4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

ChemComp-2RC:
[6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate / medication, inhibitor*YM / Fostamatinib

ChemComp-1M3:
N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide

ChemComp-2RE:
4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol

ChemComp-SAV:
N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

ChemComp-PGE:
TRIETHYLENE GLYCOL / Polyethylene glycol

ChemComp-2RF:
3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1H-pyrrole-2,5-dione

ChemComp-2RJ:
2-(2,3-dimethylphenoxy)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidine

ChemComp-2RK:
4-[(5Z)-5-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4H-imidazol-4-ylidene]-1,4-dihydropyridine

ChemComp-2RN:
3-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]phenol

ChemComp-2RQ:
4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-2-(2-methoxyphenoxy)pyrimidine

ChemComp-2TA:
N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide / medication, anticancer*YM / Fedratinib

ChemComp-ACT:
ACETATE ION / Acetate

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION/INHIBITOR / BROMODOMAIN / CAP / HUNK1 / MCAP / PROTEIN BINDING-INHIBITOR COMPLEX / MITOTIC CHROMOSOME ASSOCIATED PROTEIN / CELL CYCLE / INHIBITOR / TRANSCRIPTION-INHIBITOR complex / TRANSCRIPTION/TRANSCRIPTION INHIBITOR / TRANSCRIPTION-TRANSCRIPTION INHIBITOR complex

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