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Structure paper

TitleSubstituents at the naphthalene C3 position of (-)-Cercosporamide derivatives significantly affect the maximal efficacy as PPAR(gamma) partial agonists
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 22, Page 1348-1351, Year 2012
Publish dateDec 28, 2011 (structure data deposition date)
AuthorsFurukawa, A. / Arita, T. / Fukuzaki, T. / Satoh, S. / Mori, M. / Honda, T. / Matsui, Y. / Wakabayashi, K. / Hayashi, S. / Araki, K. / Ohsumi, J.
External linksBioorg. Med. Chem. Lett. / PubMed:22225641
MethodsX-ray diffraction
Resolution1.6 - 2.1 Å
Structure data

PDB-3v9t:
Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-3v9v:
Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-3v9y:
Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-17L:
(9aS)-8-acetyl-N-[(3-ethoxynaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide

ChemComp-HOH:
WATER

ChemComp-21L:
methyl 3-{4-[({[(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}propanoate

ChemComp-24L:
4-{4-[({[(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}butanoic acid

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION/TRANSCRIPTION REGULATOR / three-layered alpha-helical sandwich / transcription regulation / TRANSCRIPTION-TRANSCRIPTION REGULATOR complex

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