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Structure paper

TitleNon-Carbohydrate Glycomimetics as Inhibitors of Calcium(II)-Binding Lectins.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 60, Page 8104-8114, Year 2021
Publish dateApr 14, 2020 (structure data deposition date)
AuthorsKuhaudomlarp, S. / Siebs, E. / Shanina, E. / Topin, J. / Joachim, I. / da Silva Figueiredo Celestino Gomes, P. / Varrot, A. / Rognan, D. / Rademacher, C. / Imberty, A. / Titz, A.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:33314528
MethodsX-ray diffraction
Resolution1.84 Å
Structure data

PDB-6yo3:
LecA from Pseudomonas aeruginosa in complex with a catechol CAS no. 67984-81-0
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

PDB-6yoh:
LecA from Pseudomonas aeruginosa in complex with a catechol CAS no. 61445-50-9
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-P3K:
2,3-bis(oxidanyl)benzenecarbonitrile

ChemComp-P6G:
HEXAETHYLENE GLYCOL / precipitant*YM

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-HOH:
WATER

ChemComp-P4H:
[2,4-bis(oxidanyl)phenyl]-[3,4-bis(oxidanyl)phenyl]methanone

Source
  • pseudomonas aeruginosa (strain atcc 15692 / dsm 22644 / cip 104116 / jcm 14847 / lmg 12228 / 1c / prs 101 / pao1) (bacteria)
  • pseudomonas aeruginosa pao1 (bacteria)
KeywordsSUGAR BINDING PROTEIN / Non-carbohydrate glycomimetics / PAINS / lectin / catechols

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