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TitleStructure-Activity Relationship of Inositol Thiophosphate Analogs as Allosteric Activators of Clostridioides difficile Toxin B.
Journal, issue, pagesJ. Med. Chem., Vol. 67, Page 16576-16597, Year 2024
Publish dateApr 25, 2024 (structure data deposition date)
AuthorsCummer, R. / Grosjean, F. / Bolteau, R. / Vasegh, S.E. / Veyron, S. / Keogh, L. / Trempe, J.F. / Castagner, B.
External linksJ. Med. Chem. / PubMed:39254660
MethodsX-ray diffraction
Resolution2.1 Å
Structure data

PDB-9bja:
C. difficile Tcdb cysteine protease domain in complex with IP6
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-IHP:
INOSITOL HEXAKISPHOSPHATE

ChemComp-HOH:
WATER

Source
  • clostridioides difficile (bacteria)
KeywordsTOXIN / catalytic activity peptidase activity catalytic activity / acting on a protein toxin activity small molecule binding

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