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Structure paper

TitleThe Parkinson's Disease Drug Tolcapone and Analogues are Potent Glycomimetic Lectin Inhibitors of Pseudomonas aeruginosa LecA
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Year 2025
Publish dateFeb 3, 2025 (structure data deposition date)
AuthorsLeusmann, S. / Siebs, E. / Varrot, A. / Kuhaudomlarp, S. / Imberty, A. / Kuhn, B. / Lerner, C. / Grether, U. / Titz, A.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.85 - 1.95 Å
Structure data

PDB-9i7z:
LecA in complex with 2-fluoro non-carbohydrate glycomimetic
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-9i80:
LecA in complex with a tolcapone derivative glycomimetic
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-CA:
Unknown entry

PDB-1izm:
Structure of ygfB from Haemophilus influenzae (HI0817), a Conserved Hypothetical Protein

ChemComp-1PE:
PENTAETHYLENE GLYCOL / precipitant*YM

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CL:
Unknown entry

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-9YU:
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

ChemComp-ACT:
ACETATE ION

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-HOH:
WATER

PDB-1i1g:
CRYSTAL STRUCTURE OF THE LRP-LIKE TRANSCRIPTIONAL REGULATOR FROM THE ARCHAEON PYROCOCCUS FURIOSUS

Source
  • pseudomonas aeruginosa pao1 (bacteria)
KeywordsSUGAR BINDING PROTEIN / drug repurposing / glycomimetics / catechols / lectins / inhibitors

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