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TitleHydrogel-Encapsulated Biofilm Inhibitors Abrogate the Cariogenic Activity of Streptococcus mutans .
Journal, issue, pagesJ. Med. Chem., Vol. 66, Page 7909-7925, Year 2023
Publish dateDec 12, 2022 (structure data deposition date)
AuthorsAhirwar, P. / Kozlovskaya, V. / Nijampatnam, B. / Rojas, E.M. / Pukkanasut, P. / Inman, D. / Dolmat, M. / Law, A.C. / Schormann, N. / Deivanayagam, C. ...Ahirwar, P. / Kozlovskaya, V. / Nijampatnam, B. / Rojas, E.M. / Pukkanasut, P. / Inman, D. / Dolmat, M. / Law, A.C. / Schormann, N. / Deivanayagam, C. / Harber, G.J. / Michalek, S.M. / Wu, H. / Kharlampieva, E. / Velu, S.E.
External linksJ. Med. Chem. / PubMed:37285134
MethodsX-ray diffraction
Resolution2.35 Å
Structure data

PDB-8fg8:
Catalytic domain of GtfB in complex with inhibitor 2-[(2,4,5-Trihydroxyphenyl)methylidene]-1-benzofuran-3-one
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-XV5:
(2Z)-2-[(2,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3(2H)-one

ChemComp-BTB:
2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • streptococcus mutans (bacteria)
KeywordsTRANSFERASE/INHIBITOR / GtfB / GTF-I / catalytic domain / inhibitor / TRANSFERASE-INHIBITOR complex

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