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TitleDiscovery of CREBBP Bromodomain Inhibitors by High-Throughput Docking and Hit Optimization Guided by Molecular Dynamics.
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 1340-1349, Year 2016
Publish dateJun 11, 2014 (structure data deposition date)
AuthorsXu, M. / Unzue, A. / Dong, J. / Spiliotopoulos, D. / Nevado, C. / Caflisch, A.
External linksJ. Med. Chem. / PubMed:26125948
MethodsX-ray diffraction
Resolution1.7 Å
Structure data

PDB-4tqn:
Crystal structure of the bromodomain of human CREBBP in complex with UL04
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-UL4:
3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Transcription/inhibitor

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