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Structure paper

TitleDiscovery of potent 1,1-diarylthiogalactoside glycomimetic inhibitors of Pseudomonas aeruginosa LecA with antibiofilm properties.
Journal, issue, pagesEur. J. Med. Chem., Vol. 247, Page 115025-115025, Year 2022
Publish dateMar 10, 2022 (structure data deposition date)
AuthorsBruneau, A. / Gillon, E. / Furiga, A. / Brachet, E. / Alami, M. / Roques, C. / Varrot, A. / Imberty, A. / Messaoudi, S.
External linksEur. J. Med. Chem. / PubMed:36549118
MethodsX-ray diffraction
Resolution1.53 - 1.75 Å
Structure data

PDB-7z62:
Structure of the LecA lectin from Pseudomonas aeruginosa in complex with a biaryl-thiogalactoside
Method: X-RAY DIFFRACTION / Resolution: 1.53 Å

PDB-7z63:
Structure of the LecA lectin from Pseudomonas aeruginosa in complex with a biaryl-thiogalactoside
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-IEC:
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[1-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-oxane-3,4,5-triol

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-IE3:
[3-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-4-methoxy-phenyl]-(3,4,5-trimethoxyphenyl)methanone

Source
  • pseudomonas aeruginosa pao1 (bacteria)
KeywordsSUGAR BINDING PROTEIN / lectin / antiadhesive / thiogalactoside / RNA BINDING PROTEIN

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