7XFA

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

Summary for 7XFA

• Entry DOI: 10.2210/pdb7xfa/pdb
• Descriptor: 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)
• Functional Keywords: lectin, galactose, fibrosis, sugar binding protein, galactoside-binding lectin
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 19186.50

Authors

Shukla, J.,Raman, S.,Ghosh, K. (deposition date: 2022-04-01, release date: 2022-10-12, Last modification date: 2023-11-29)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (0.98 Å)