3O5N

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

3O5N の概要

• エントリーDOI: 10.2210/pdb3o5n/pdb
• 分子名称: 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)
• 機能のキーワード: pdz domain, protein-protein interaction, gkap, postsynaptic density, protein binding
• 由来する生物種: Mus musculus (mouse)
• 細胞内の位置: Cytoplasm: Q4ACU6
• タンパク質・核酸の鎖数: 8
• 化学式量合計: 97951.67

構造登録者

Saupe, J.,Roske, Y.,Schillinger, C.,Kamdem, N.,Radetzki, S.,Diehl, A.,Oschkinat, H.,Krause, G.,Heinemann, U.,Rademann, J. (登録日: 2010-07-28, 公開日: 2011-06-15, 最終更新日: 2024-02-21)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (1.83 Å)