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TitleSystematic Tuning of Fluoro-galectin-3 Interactions Provides Thiodigalactoside Derivatives with Single-Digit nM Affinity and High Selectivity.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 1164-1175, Year 2018
Publish dateJun 25, 2017 (structure data deposition date)
AuthorsPeterson, K. / Kumar, R. / Stenstrom, O. / Verma, P. / Verma, P.R. / Hakansson, M. / Kahl-Knutsson, B. / Zetterberg, F. / Leffler, H. / Akke, M. ...Peterson, K. / Kumar, R. / Stenstrom, O. / Verma, P. / Verma, P.R. / Hakansson, M. / Kahl-Knutsson, B. / Zetterberg, F. / Leffler, H. / Akke, M. / Logan, D.T. / Nilsson, U.J.
External linksJ. Med. Chem. / PubMed:29284090
MethodsX-ray diffraction
Resolution1.149 - 1.2 Å
Structure data

PDB-5oax:
Galectin-3c in complex with thiogalactoside derivate
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-5ody:
Galectin-3C in complex with dithiogalactoside derivative
Method: X-RAY DIFFRACTION / Resolution: 1.149 Å

Chemicals

ChemComp-9Q5:
5,6-bis(fluoranyl)-3-[[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one

ChemComp-HOH:
WATER

ChemComp-9SK:
5,6-bis(fluoranyl)-3-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one

Source
  • homo sapiens (human)
KeywordsSUGAR BINDING PROTEIN / LECTIN / CARBOHYDRATE-BINDING PROTEIN / GALACTOSE-SPECIFIC LECTIN 3 / GALACTOSIDE-BINDING PROTEIN / GALBP / IGE-6 BINDING PROTEIN / L-31 / LAMININ-BINDING PROTEIN / LECTIN L-29 / MAC-2

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