3O5N

Tetrahydroquinoline carboxylates are potent inhibitors of the Shank PDZ domain, a putative target in autism disorders

Summary for 3O5N

• Entry DOI: 10.2210/pdb3o5n/pdb
• Descriptor: SH3 and multiple ankyrin repeat domains protein 3, (3aS,4R,9bR)-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid (3 entities in total)
• Functional Keywords: pdz domain, protein-protein interaction, gkap, postsynaptic density, protein binding
• Biological source: Mus musculus (mouse)
• Cellular location: Cytoplasm: Q4ACU6
• Total number of polymer chains: 8
• Total formula weight: 97951.67

Authors

Saupe, J.,Roske, Y.,Schillinger, C.,Kamdem, N.,Radetzki, S.,Diehl, A.,Oschkinat, H.,Krause, G.,Heinemann, U.,Rademann, J. (deposition date: 2010-07-28, release date: 2011-06-15, Last modification date: 2024-02-21)

• Primary citation: Saupe, J.,Roske, Y.,Schillinger, C.,Kamdem, N.,Radetzki, S.,Diehl, A.,Oschkinat, H.,Krause, G.,Heinemann, U.,Rademann, J.; Discovery, structure-activity relationship studies, and crystal structure of nonpeptide inhibitors bound to the shank3 PDZ domain.; Chemmedchem, 6:1411-1422, 2011; PubMed: 21626699; DOI: 10.1002/cmdc.201100094

Experimental method

X-RAY DIFFRACTION (1.83 Å)