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Structure paper

TitleDesign, synthesis and structure-activity relationships of 1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta.
Journal, issue, pagesBioorg. Med. Chem., Vol. 17, Page 2017-2029, Year 2009
Publish dateNov 10, 2008 (structure data deposition date)
AuthorsSaitoh, M. / Kunitomo, J. / Kimura, E. / Hayase, Y. / Kobayashi, H. / Uchiyama, N. / Kawamoto, T. / Tanaka, T. / Mol, C.D. / Dougan, D.R. ...Saitoh, M. / Kunitomo, J. / Kimura, E. / Hayase, Y. / Kobayashi, H. / Uchiyama, N. / Kawamoto, T. / Tanaka, T. / Mol, C.D. / Dougan, D.R. / Textor, G.S. / Snell, G.P. / Itoh, F.
External linksBioorg. Med. Chem. / PubMed:19200745
MethodsX-ray diffraction
Resolution2.4 - 2.6 Å
Structure data

PDB-3f7z:
X-ray Co-Crystal Structure of Glycogen Synthase Kinase 3beta in Complex with an Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-3f88:
glycogen synthase Kinase 3beta inhibitor complex
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-34O:
2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole

ChemComp-HOH:
WATER

ChemComp-3HT:
5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione

ChemComp-2HT:
3-methylbenzonitrile

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / enzyme / protein kinase / inhibitor co-crystal structure / ATP-binding / Kinase / Nucleotide-binding / Phosphoprotein / Serine/threonine-protein kinase / Wnt signaling pathway / inhibitor / Alternative splicing

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