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TitleDiscovery of a novel class of highly potent inhibitors of the p53-MDM2 interaction by structure-based design starting from a conformational argument.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 26, Page 4837-4841, Year 2016
Publish dateAug 2, 2016 (structure data deposition date)
AuthorsFuret, P. / Masuya, K. / Kallen, J. / Stachyra-Valat, T. / Ruetz, S. / Guagnano, V. / Holzer, P. / Mah, R. / Stutz, S. / Vaupel, A. ...Furet, P. / Masuya, K. / Kallen, J. / Stachyra-Valat, T. / Ruetz, S. / Guagnano, V. / Holzer, P. / Mah, R. / Stutz, S. / Vaupel, A. / Chene, P. / Jeay, S. / Schlapbach, A.
External linksBioorg. Med. Chem. Lett. / PubMed:27542305
MethodsX-ray diffraction
Resolution1.58 Å
Structure data

PDB-5ln2:
Discovery of a novel class of highly potent inhibitors of the p53-MDM2 interaction by structure-based design starting from a conformational argument
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

Chemicals

ChemComp-6ZT:
(4~{S})-5-[5-chloranyl-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloranyl-2-methyl-phenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one

ChemComp-SO4:
SULFATE ION

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsCELL CYCLE / PPI with p53 / inhibitor complex

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