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Structure paper

TitleStructure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 12, Page 1745-1752, Year 2021
Publish dateJul 1, 2021 (structure data deposition date)
AuthorsHassan, M. / Baussiere, F. / Guzelj, S. / Sundin, A.P. / Hakansson, M. / Kovacic, R. / Leffler, H. / Tomasic, T. / Anderluh, M. / Jakopin, Z. / Nilsson, U.J.
External linksAcs Med. Chem. Lett. / PubMed:34795863
MethodsX-ray diffraction
Resolution1.52 - 2.1 Å
Structure data

PDB-7p11:
Galectin-8 N-terminal carbohydrate recognition domain in complex with quinoline D-galactal ligand
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-7p1m:
Galectin-8 N-terminal carbohydrate recognition domain in complex with benzimidazole D-galactal ligand
Method: X-RAY DIFFRACTION / Resolution: 1.52 Å

Chemicals

ChemComp-5KM:
2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]quinoline-7-carboxylic acid

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-4IU:
2-[[(2R,3R,4R)-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2H-pyran-4-yl]oxymethyl]-3-methyl-benzimidazole-5-carboxylic acid

Source
  • homo sapiens (human)
KeywordsSUGAR BINDING PROTEIN / Inhibitor / complex / Galectin / Lectin / D-galactal

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