7DF6

Mouse Galectin-3 CRD in complex with novel tetrahydropyran-based thiodisaccharide mimic inhibitor

7DF6 の概要

• エントリーDOI: 10.2210/pdb7df6/pdb
• 関連するPDBエントリー: 7DF5
• 分子名称: Galectin-3, (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol (3 entities in total)
• 機能のキーワード: galectin-3 carbohydrate recognition domain, inhibitor, complex, tetrahydropyran, thiodigalactoside, carbohydrate
• 由来する生物種: Mus musculus (Mouse)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 38551.70

構造登録者

Ghosh, K.,Kumar, A. (登録日: 2020-11-06, 公開日: 2021-06-23, 最終更新日: 2023-11-29)

• 主引用文献: Xu, L.,Hartz, R.A.,Beno, B.R.,Ghosh, K.,Shukla, J.K.,Kumar, A.,Patel, D.,Kalidindi, N.,Lemos, N.,Gautam, S.S.,Kumar, A.,Ellsworth, B.A.,Shah, D.,Sale, H.,Cheng, D.,Regueiro-Ren, A.; Synthesis, Structure-Activity Relationships, and In Vivo Evaluation of Novel Tetrahydropyran-Based Thiodisaccharide Mimics as Galectin-3 Inhibitors.; J.Med.Chem., 64:6634-6655, 2021; PubMed: 33988358; DOI: 10.1021/acs.jmedchem.0c02001

実験手法

X-RAY DIFFRACTION (1.8 Å)