6YWZ

Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid

6YWZ の概要

• エントリーDOI: 10.2210/pdb6ywz/pdb
• 関連するPDBエントリー: 6YX0 6YX1 6YX2
• 分子名称: SH3 and multiple ankyrin repeat domains protein 1, DI(HYDROXYETHYL)ETHER, 2-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid, ... (7 entities in total)
• 機能のキーワード: protein-protein interactions pdz domain, hybrid structures, fragment-based drug discovery, beta-sheets, acylhydrazone, peptide binding 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: 26136.16

構造登録者

Hegedus, Z.,Hobor, F.,Shoemark, D.K.,Celis, S.,Lian, L.J.,Trinh, C.H.,Sessions, R.B.,Edwards, T.A.,Wilson, A.J. (登録日: 2020-04-30, 公開日: 2021-01-20, 最終更新日: 2024-01-24)

• 主引用文献: Hegedus, Z.,Hobor, F.,Shoemark, D.K.,Celis, S.,Lian, L.Y.,Trinh, C.H.,Sessions, R.B.,Edwards, T.A.,Wilson, A.J.; Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation.; Chem Sci, 12:2286-2293, 2021; PubMed: 34163995; DOI: 10.1039/d0sc05694d

実験手法

X-RAY DIFFRACTION (2.12 Å)