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Structure paper

TitlePeroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 893-902, Year 2012
Publish dateSep 25, 2011 (structure data deposition date)
AuthorsKuwabara, N. / Oyama, T. / Tomioka, D. / Ohashi, M. / Yanagisawa, J. / Shimizu, T. / Miyachi, H.
External linksJ. Med. Chem. / PubMed:22185225
MethodsX-ray diffraction
Resolution1.75 - 2.61 Å
Structure data

PDB-3vi8:
Human PPAR alpha ligand binding domain in complex with a synthetic agonist APHM13
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-3vjh:
Human PPAR GAMMA ligand binding domain in complex with JKPL35
Method: X-RAY DIFFRACTION / Resolution: 2.22 Å

PDB-3vji:
Human PPAR gamma ligand binding domain in complex with JKPL53
Method: X-RAY DIFFRACTION / Resolution: 2.61 Å

Chemicals

ChemComp-13M:
(2S)-2-(4-methoxy-3-{[(pyren-1-ylcarbonyl)amino]methyl}benzyl)butanoic acid

ChemComp-HOH:
WATER

ChemComp-J35:
(2S)-2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid

ChemComp-J53:
(2S)-2-{4-butoxy-3-[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]benzoyl}amino)methyl]benzyl}butanoic acid

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / NUCLEAR RECEPTOR / PROTEIN-LIGAND COMPLEX / PPAR / transcription factor

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