7XFA

Structure of human Galectin-3 CRD in complex with monosaccharide inhibitor

7XFA の概要

• エントリーDOI: 10.2210/pdb7xfa/pdb
• 分子名称: Galectin-3, (2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[2-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol (3 entities in total)
• 機能のキーワード: lectin, galactose, fibrosis, sugar binding protein, galactoside-binding lectin
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 19186.50

構造登録者

Shukla, J.,Raman, S.,Ghosh, K. (登録日: 2022-04-01, 公開日: 2022-10-12, 最終更新日: 2023-11-29)

• 主引用文献: Liu, C.,Jalagam, P.R.,Feng, J.,Wang, W.,Raja, T.,Sura, M.R.,Manepalli, R.K.V.L.P.,Aliphedi, B.R.,Medavarapu, S.,Nair, S.K.,Muthalagu, V.,Natesan, R.,Gupta, A.,Beno, B.,Panda, M.,Ghosh, K.,Shukla, J.K.,Sale, H.,Haldar, P.,Kalidindi, N.,Shah, D.,Patel, D.,Mathur, A.,Ellsworth, B.A.,Cheng, D.,Regueiro-Ren, A.; Identification of Monosaccharide Derivatives as Potent, Selective, and Orally Bioavailable Inhibitors of Human and Mouse Galectin-3.; J.Med.Chem., 65:11084-11099, 2022; PubMed: 35969688; DOI: 10.1021/acs.jmedchem.2c00517

実験手法

X-RAY DIFFRACTION (0.98 Å)