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Structure paper

TitleDiscovery of New Bromodomain Scaffolds by Biosensor Fragment Screening.
Journal, issue, pagesACS Med Chem Lett, Vol. 7, Page 1213-1218, Year 2016
Publish dateSep 11, 2016 (structure data deposition date)
AuthorsNavratilova, I. / Aristotelous, T. / Picaud, S. / Chaikuad, A. / Knapp, S. / Filappakopoulos, P. / Hopkins, A.L.
External linksACS Med Chem Lett / PubMed:27994766
MethodsX-ray diffraction
Resolution1.61 - 2.05 Å
Structure data

PDB-5luu:
Structure of the first bromodomain of BRD4 with a pyrazolo[4,3-c]pyridin fragment
Method: X-RAY DIFFRACTION / Resolution: 1.61 Å

PDB-5lvq:
Crystal structure of human PCAF bromodomain in complex with compound-D (CPD-D), N-methyl-2-(tetrahydro-2H-pyran-4-yloxy)benzamide
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-5lvr:
Crystal structure of human PCAF bromodomain in complex with compound-E (CPD-E)
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-5tb6:
Structure of bromodomain of CREBBP with a pyrazolo[4,3-c]pyridin fragment
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-77X:
1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one

ChemComp-HOH:
WATER

ChemComp-2LX:
N-methyl-2-(tetrahydro-2H-pyran-4-yloxy)benzamide

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-78Y:
5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / Fragment / complex / bromodomain / Structural Genomics / Structural Genomics Consortium / SGC / TRANSFERASE / SIGNALING PROTEIN / HISTONE ACETYLTRANSFERASE KAT2B / HISTONE / ACETYLATION / ACETYLLYSINE / EPIGENETICS / STRUCTURAL GENOMICS CONSORTIUM (SGC) / trasnferase

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