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TitleDiscovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments.
Journal, issue, pagesChemmedchem, Vol. 18, Page e202200686-e202200686, Year 2023
Publish dateJul 19, 2022 (structure data deposition date)
AuthorsMartinelli, P. / Schaaf, O. / Mantoulidis, A. / Martin, L.J. / Fuchs, J.E. / Bader, G. / Gollner, A. / Wolkerstorfer, B. / Rogers, C. / Balikci, E. ...Martinelli, P. / Schaaf, O. / Mantoulidis, A. / Martin, L.J. / Fuchs, J.E. / Bader, G. / Gollner, A. / Wolkerstorfer, B. / Rogers, C. / Balikci, E. / Lipp, J.J. / Mischerikow, N. / Doebel, S. / Gerstberger, T. / Sommergruber, W. / Huber, K.V.M. / Bottcher, J.
External linksChemmedchem / PubMed:36649575
MethodsX-ray diffraction
Resolution1.025 - 1.504 Å
Structure data

PDB-8ag2:
Crystal structure of the BPTF bromodomain in complex with BI-7190
Method: X-RAY DIFFRACTION / Resolution: 1.025 Å

PDB-8ahc:
Crystal structure of the BRD9 bromodomain with BI-7189
Method: X-RAY DIFFRACTION / Resolution: 1.504 Å

Chemicals

ChemComp-M1I:
5-[3-methoxy-4-[1-(4-methylpiperazin-1-yl)cyclopropyl]phenyl]-1,3,4-trimethyl-pyridin-2-one

ChemComp-HOH:
WATER

ChemComp-M2O:
[2,6-dimethoxy-4-(1,2,5-trimethyl-6-oxidanylidene-pyridin-3-yl)phenyl]methyl-dimethyl-azanium

Source
  • homo sapiens (human)
KeywordsPROTEIN BINDING / Bromodomain / Inhibitor / Complex / GENE REGULATION

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