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Structure paper

TitleDiscovery of selective BPTF bromodomain inhibitors by screening and structure-based optimization.
Journal, issue, pagesBiochem. Biophys. Res. Commun., Vol. 545, Page 125-131, Year 2021
Publish dateDec 8, 2020 (structure data deposition date)
AuthorsXiong, L. / Mao, X. / Guo, Y. / Zhou, Y. / Chen, M. / Chen, P. / Yang, S. / Li, L.
External linksBiochem. Biophys. Res. Commun. / PubMed:33548625
MethodsX-ray diffraction
Resolution2 - 2.841 Å
Structure data

PDB-7dmy:
The crystal structure of Cpd7 in complex with BPTF bromodomain
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-7dn4:
The crystal structure of Cpd8 in complex with BPTF bromodomain
Method: X-RAY DIFFRACTION / Resolution: 2.841 Å

Chemicals

ChemComp-HAF:
tert-butyl 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-4-oxidanylidene-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate

ChemComp-HOH:
WATER

ChemComp-JC3:
3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

Source
  • homo sapiens (human)
KeywordsPROTEIN BINDING / inhibitor;BPTF;Bromodomain / inhibitor / BPTF / bromodomain / reader

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