Author
Keywords
Abstract

BRPF1 plays a scaffolding role in transcription. We report on fragment screening by high-throughput docking to the BRPF1 bromodomain which resulted in six chemotypes with very favorable ligand efficiency (0.45-0.50 kcal/mol per non-hydrogen atom). Twenty crystal structures of BRPF1/ligand complexes show structural conservation in the acetyllysine binding site, common binding motifs, and unusual interactions (e.g., the replacement of a conserved water molecule). The structural information is useful for the design of chemical probes.

Year of Publication
2016
Journal
Journal of Medicinal Chemistry
Volume
59
Start Page
5555
Issue
11
Number of Pages
5555-5561
Date Published
2016 Jun 09
Type of Article
Research Article
ISSN Number
1520-4804
DOI
10.1021/acs.jmedchem.6b00215
Alternate Journal
J. Med. Chem.
PMID
27167503
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