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Structure paper

TitleDesign, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship
Journal, issue, pagesJ. Med. Chem., Vol. 54, Page 331-341, Year 2011
Publish dateAug 30, 2010 (structure data deposition date)
AuthorsOhashi, M. / Oyama, T. / Nakagome, I. / Satoh, M. / Nishio, Y. / Nobusada, H. / Hirono, S. / Morikawa, K. / Hashimoto, Y. / Miyachi, H.
External linksJ. Med. Chem. / PubMed:21128600
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-3an3:
Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO3S
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-3an4:
Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO4R
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-M7S:
(2S)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid

ChemComp-HOH:
WATER

ChemComp-M7R:
(2R)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / mainly alpha / nuclear receptor

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