8AAO

Crystal structure of the PDZ tandem of syntenin in complex with compound 95

8AAO の概要

• エントリーDOI: 10.2210/pdb8aao/pdb
• 分子名称: Syntenin-1, (2~{S})-2-[[(2~{S})-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanoyl]amino]propanoic acid (3 entities in total)
• 機能のキーワード: signaling protein cell adhesion pdz domain syntenin syndecan drug design, signaling protein
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 37014.39

構造登録者

Feracci, M.,Barral, K. (登録日: 2022-07-01, 公開日: 2023-04-26, 最終更新日: 2024-02-07)

• 主引用文献: Hoffer, L.,Garcia, M.,Leblanc, R.,Feracci, M.,Betzi, S.,Ben Yaala, K.,Daulat, A.M.,Zimmermann, P.,Roche, P.,Barral, K.,Morelli, X.; Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach.; J.Med.Chem., 66:4633-4658, 2023; PubMed: 36939673; DOI: 10.1021/acs.jmedchem.2c01569

実験手法

X-RAY DIFFRACTION (2.469 Å)