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Structure paper

TitleThe "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 3087-3097, Year 2016
Publish dateAug 14, 2015 (structure data deposition date)
AuthorsUnzue, A. / Zhao, H. / Lolli, G. / Dong, J. / Zhu, J. / Zechner, M. / Dolbois, A. / Caflisch, A. / Nevado, C.
External linksJ. Med. Chem. / PubMed:26982797
MethodsX-ray diffraction
Resolution1.35 - 1.783 Å
Structure data

PDB-5d7x:
Crystal structure of the human BRPF1 bromodomain in complex with XZ08
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-5e73:
Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH47
Method: X-RAY DIFFRACTION / Resolution: 1.71 Å

PDB-5e74:
Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH50
Method: X-RAY DIFFRACTION / Resolution: 1.783 Å

Chemicals

ChemComp-NO3:
NITRATE ION

ChemComp-XZ8:
4-(1-acetyl-1H-indol-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one

ChemComp-HOH:
WATER

ChemComp-UO1:
N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide

ChemComp-5KH:
N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide

Source
  • homo sapiens (human)
KeywordsDNA BINDING PROTEIN / Bromodomain and PHD finger-containing protein 1(BRPF1) / monocytic leukemia zinc-finger (MOZ) / Inhibitor / TRANSCRIPTION / four helical bundle

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