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TitleDiscovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 4526-4542, Year 2019
Publish dateJan 5, 2019 (structure data deposition date)
AuthorsHuang, L. / Li, H. / Li, L. / Niu, L. / Seupel, R. / Wu, C. / Cheng, W. / Chen, C. / Ding, B. / Brennan, P.E. / Yang, S.
External linksJ. Med. Chem. / PubMed:30998845
MethodsX-ray diffraction
Resolution1.598 - 2.11 Å
Structure data

PDB-6j3o:
Crystal structure of the human PCAF bromodomain in complex with compound 12
Method: X-RAY DIFFRACTION / Resolution: 2.11 Å

PDB-6j3p:
Crystal structure of the human GCN5 bromodomain in complex with compound (R,R)-36n
Method: X-RAY DIFFRACTION / Resolution: 1.598 Å

Chemicals

ChemComp-B4L:
3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one

ChemComp-HOH:
WATER

ChemComp-B8O:
2-{[(3R,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Crystal structure of the human PCAF bromodomain in complex with compound 12 / Crystal structure of the human GCN5 bromodomain in complex with compound (R / R)-36n

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