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TitleOptimized Ebselen-Based Inhibitors of Bacterial Ureases with Nontypical Mode of Action.
Journal, issue, pagesJ. Med. Chem., Vol. 66, Page 2054-2063, Year 2023
Publish dateMar 29, 2022 (structure data deposition date)
AuthorsMacegoniuk, K. / Tabor, W. / Mazzei, L. / Cianci, M. / Giurg, M. / Olech, K. / Burda-Grabowska, M. / Kaleta, R. / Grabowiecka, A. / Mucha, A. ...Macegoniuk, K. / Tabor, W. / Mazzei, L. / Cianci, M. / Giurg, M. / Olech, K. / Burda-Grabowska, M. / Kaleta, R. / Grabowiecka, A. / Mucha, A. / Ciurli, S. / Berlicki, L.
External linksJ. Med. Chem. / PubMed:36661843
MethodsX-ray diffraction
Resolution1.54 Å
Structure data

PDB-7zcy:
Sporosarcina pasteurii urease (SPU) co-crystallized in the presence of an Ebselen-derivative and bound to Se atoms
Method: X-RAY DIFFRACTION / Resolution: 1.54 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-SO4:
SULFATE ION

ChemComp-NI:
NICKEL (II) ION

ChemComp-OH:
HYDROXIDE ION

ChemComp-IU9:
N-(2-chloranyl-4-fluoranyl-phenyl)-2-selanyl-benzamide

ChemComp-SE:
SELENIUM ATOM

ChemComp-HOH:
WATER

Source
  • sporosarcina pasteurii (bacteria)
KeywordsHYDROLASE / urease / nickel / Ebselen / selenium

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