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TitleScaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 106, Page 262-267, Year 2009
Publish dateOct 6, 2008 (structure data deposition date)
AuthorsArtis, D.R. / Lin, J.J. / Zhang, C. / Wang, W. / Mehra, U. / Perreault, M. / Erbe, D. / Krupka, H.I. / England, B.P. / Arnold, J. ...Artis, D.R. / Lin, J.J. / Zhang, C. / Wang, W. / Mehra, U. / Perreault, M. / Erbe, D. / Krupka, H.I. / England, B.P. / Arnold, J. / Plotnikov, A.N. / Marimuthu, A. / Nguyen, H. / Will, S. / Signaevsky, M. / Kral, J. / Cantwell, J. / Settachatgull, C. / Yan, D.S. / Fong, D. / Oh, A. / Shi, S. / Womack, P. / Powell, B. / Habets, G. / West, B.L. / Zhang, K.Y. / Milburn, M.V. / Vlasuk, G.P. / Hirth, K.P. / Nolop, K. / Bollag, G. / Ibrahim, P.N. / Tobin, J.F.
External linksProc. Natl. Acad. Sci. USA / PubMed:19116277
MethodsX-ray diffraction
Resolution1.95 - 2.5 Å
Structure data

PDB-3et0:
Structure of PPARgamma with 3-(5-Methoxy-1H-indol-3-yl)-propionic acid
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-3et1:
Structure of PPARalpha with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-3et2:
Structure of PPARdelta with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid
Method: X-RAY DIFFRACTION / Resolution: 2.24 Å

PDB-3et3:
Structure of PPARgamma with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-ET0:
3-(5-methoxy-1H-indol-3-yl)propanoic acid

ChemComp-GLC:
alpha-D-glucopyranose

ChemComp-HOH:
WATER

ChemComp-ET1:
3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid

ChemComp-1BO:
1-BUTANOL

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / PPAR / PPARg / PPARgamma / Drug Discovery / Diabetes / adiponectin / metabolic disease / fragment-based drug discovery / scaffold-based drug discovery / Activator / Alternative splicing / Diabetes mellitus / Disease mutation / DNA-binding / Metal-binding / Nucleus / Obesity / Phosphoprotein / Polymorphism / Receptor / Transcription regulation / Zinc / Zinc-finger / Transcription/Transferase / PPARa / PPARalpha / Acyltransferase / Chromosomal rearrangement / Proto-oncogene / Transferase / Ubl conjugation / Transcription-Transferase COMPLEX / PPARd / PPARdelta / K.Zhang / Wed Oct 1 17:27:09 2008 on nod

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