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PDBsum entry 6fgw
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Transcription
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PDB id
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6fgw
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References listed in PDB file
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Key reference
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Title
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Structural analysis of small-Molecule binding to the baz2a and baz2b bromodomains.
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Authors
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A.Dalle vedove,
D.Spiliotopoulos,
V.G.D'Agostino,
J.R.Marchand,
A.Unzue,
C.Nevado,
G.Lolli,
A.Caflisch.
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Ref.
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ChemMedChem, 2018,
13,
1479-1487.
[DOI no: ]
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PubMed id
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Abstract
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The bromodomain-containing protein BAZ2A is a validated target in prostate
cancer research, whereas the function of its paralogue BAZ2B is still undefined.
The bromodomains of BAZ2A and BAZ2B have a similar binding site for their
natural ligand, the acetylated lysine side chain. Here, we present an analysis
of the binding modes of eight compounds belonging to three distinct chemical
classes. For all compounds, the moiety mimicking the natural ligand engages in
essentially identical interactions in the BAZ2A and BAZ2B bromodomains. In
contrast, the rest of the molecule is partially solvent-exposed and adopts
different orientations with different interactions in the two bromodomains. Some
of these differences could be exploited for designing inhibitors with
selectivity within the BAZ2 bromodomain subfamily.
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