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5EXO

Crystal structure of Human galectin-3 CRD in complex with methyl 2-O-acetyl-3-O-(2H-chromene-3-yl-methyl)-a-D-galactopyranoside inhibitor

Summary for 5EXO
Entry DOI10.2210/pdb5exo/pdb
DescriptorGalectin-3, CHLORIDE ION, [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2-methoxy-5-oxidanyl-4-[(2-oxidanylidenechromen-3-yl)methoxy]oxan-3-yl] ethanoate, ... (4 entities in total)
Functional Keywordscarbohydrate-recognition, beta sandwich, carbohydrate binding protein, sugar binding protein, inhibitor, coumaryl
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm: P17931
Total number of polymer chains1
Total formula weight16187.93
Authors
Collins, P.M.,Blanchard, H. (deposition date: 2015-11-23, release date: 2016-10-05, Last modification date: 2023-09-27)
Primary citationRajput, V.K.,MacKinnon, A.,Mandal, S.,Collins, P.,Blanchard, H.,Leffler, H.,Sethi, T.,Schambye, H.,Mukhopadhyay, B.,Nilsson, U.J.
A Selective Galactose-Coumarin-Derived Galectin-3 Inhibitor Demonstrates Involvement of Galectin-3-glycan Interactions in a Pulmonary Fibrosis Model.
J.Med.Chem., 59:8141-8147, 2016
Cited by
PubMed: 27500311
DOI: 10.1021/acs.jmedchem.6b00957
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.502 Å)
Structure validation

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