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Structure paper

TitleA Selective Galactose-Coumarin-Derived Galectin-3 Inhibitor Demonstrates Involvement of Galectin-3-glycan Interactions in a Pulmonary Fibrosis Model.
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 8141-8147, Year 2016
Publish dateNov 23, 2015 (structure data deposition date)
AuthorsRajput, V.K. / MacKinnon, A. / Mandal, S. / Collins, P. / Blanchard, H. / Leffler, H. / Sethi, T. / Schambye, H. / Mukhopadhyay, B. / Nilsson, U.J.
External linksJ. Med. Chem. / PubMed:27500311
MethodsX-ray diffraction
Resolution1.502 Å
Structure data

PDB-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
Method: X-RAY DIFFRACTION / Resolution: 1.502 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-5SY:
[(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

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsSUGAR BINDING PROTEIN / CARBOHYDRATE-RECOGNITION / BETA SANDWICH / CARBOHYDRATE BINDING PROTEIN / INHIBITOR / coumaryl

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