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TitleTargeting Bacterial Sortase A with Covalent Inhibitors: 27 New Starting Points for Structure-Based Hit-to-Lead Optimization.
Journal, issue, pagesAcs Infect Dis., Vol. 6, Page 186-194, Year 2020
Publish dateMar 15, 2019 (structure data deposition date)
AuthorsJaudzems, K. / Kurbatska, V. / Je Kabsons, A. / Bobrovs, R. / Rudevica, Z. / Leonchiks, A.
External linksAcs Infect Dis. / PubMed:31724850
MethodsNMR (solution)
Structure data

PDB-6r1v:
Solution structure of sortase A from S. aureus in complex with 2-(aminomethyl)-3-hydroxy-4H-pyran-4-one based prodrug
Method: SOLUTION NMR

Chemicals

ChemComp-JPT:
6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)pyran-4-one

Source
  • staphylococcus aureus subsp. aureus nctc 8325 (bacteria)
KeywordsHYDROLASE / Inhibitor / Covalent complex / Prodrug

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