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Structure paper

TitleIsofagomine Derivatives as TcdB Glucosyltransferase Inhibitors.
Journal, issue, pagesJ. Med. Chem., Year 2026
Publish dateJan 29, 2026 (structure data deposition date)
AuthorsShaffer, K.J. / Gilaj, N. / Wagner, A.G. / Popadynec, M. / Groom, D.P. / Hughes, L.A. / Ghosh, A. / Paparella, A. / Tyler, P.C. / Lamiable-Oulaidi, F. / Schramm, V.L.
External linksJ. Med. Chem. / PubMed:42383693
MethodsX-ray diffraction
Resolution1.85 - 2.65 Å
Structure data

PDB-10oh:
Structure of Clostridium difficile Toxin B (TcdB) glucosyltransferase in complex with UDP and isofagomine analog 2-4
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-10oi:
Structure of Clostridium difficile Toxin B (TcdB) glucosyltransferase in complex with UDP linked isofagomine analog 3-5
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

Chemicals

ChemComp-UDP:
URIDINE-5'-DIPHOSPHATE / UDP*YM

PDB-1c9k:
THE THREE DIMENSIONAL STRUCTURE OF ADENOSYLCOBINAMIDE KINASE/ ADENOSYLCOBINAMIDE PHOSPHATE GUALYLYLTRANSFERASE (COBU) COMPLEXED WITH GMP: EVIDENCE FOR A SUBSTRATE INDUCED TRANSFERASE ACTIVE SITE

ChemComp-MN:
Unknown entry

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

PDB-1c96:
S642A:CITRATE COMPLEX OF ACONITASE

ChemComp-GOL:
GLYCEROL

Source
  • clostridioides difficile (bacteria)
KeywordsTRANSFERASE / Inhibitor / Complex

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