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TitleGalectin-3-Binding Glycomimetics that Strongly Reduce Bleomycin-Induced Lung Fibrosis and Modulate Intracellular Glycan Recognition.
Journal, issue, pagesChembiochem, Vol. 17, Page 1759-1770, Year 2016
Publish dateOct 13, 2015 (structure data deposition date)
AuthorsDelaine, T. / Collins, P. / MacKinnon, A. / Sharma, G. / Stegmayr, J. / Rajput, V.K. / Mandal, S. / Cumpstey, I. / Larumbe, A. / Salameh, B.A. ...Delaine, T. / Collins, P. / MacKinnon, A. / Sharma, G. / Stegmayr, J. / Rajput, V.K. / Mandal, S. / Cumpstey, I. / Larumbe, A. / Salameh, B.A. / Kahl-Knutsson, B. / van Hattum, H. / van Scherpenzeel, M. / Pieters, R.J. / Sethi, T. / Schambye, H. / Oredsson, S. / Leffler, H. / Blanchard, H. / Nilsson, U.J.
External linksChembiochem / PubMed:27356186
MethodsX-ray diffraction
Resolution1.5 - 1.6 Å
Structure data

PDB-5e88:
Crystal structure of Human galectin-3 CRD in complex with thienyl-1,2,3-triazolyl thiodigalactoside inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-5e89:
Crystal structure of Human galectin-3 CRD in complex with 3-fluophenyl-1,2,3-triazolyl thiodigalactoside inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-5e8a:
Crystal structure of Human galectin-3 CRD in complex with 4-fluophenyl-1,2,3-triazolyl thiodigalactoside inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-5KT:
3-deoxy-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-1-thio-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranoside

ChemComp-HOH:
WATER

ChemComp-TD2:
3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside

ChemComp-5KS:
3-deoxy-3-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside

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

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