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TitleDiscovery, structure-activity relationship studies, and crystal structure of nonpeptide inhibitors bound to the shank3 PDZ domain.
Journal, issue, pagesChemmedchem, Vol. 6, Page 1411-1422, Year 2011
Publish dateJul 28, 2010 (structure data deposition date)
AuthorsSaupe, J. / Roske, Y. / Schillinger, C. / Kamdem, N. / Radetzki, S. / Diehl, A. / Oschkinat, H. / Krause, G. / Heinemann, U. / Rademann, J.
External linksChemmedchem / PubMed:21626699
MethodsX-ray diffraction
Resolution1.83 Å
Structure data

PDB-3o5n:
Tetrahydroquinoline carboxylates are potent inhibitors of the Shank PDZ domain, a putative target in autism disorders
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

Chemicals

ChemComp-BR0:
(3aS,4R,9bR)-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid

ChemComp-HOH:
WATER

Source
  • mus musculus (house mouse)
KeywordsPROTEIN BINDING / PDZ domain / Protein-protein interaction / GKAP / postsynaptic density

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