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TitleIdentification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus.
Journal, issue, pagesRsc Med Chem, Vol. 14, Page 947-956, Year 2023
Publish dateAug 24, 2022 (structure data deposition date)
AuthorsTravis, S. / Green, K.D. / Thamban Chandrika, N. / Pang, A.H. / Frantom, P.A. / Tsodikov, O.V. / Garneau-Tsodikova, S. / Thompson, M.K.
External linksRsc Med Chem / PubMed:37252104
MethodsX-ray diffraction
Resolution1.81 - 2.23 Å
Structure data

PDB-8e7q:
Crystal Structure of FosB from Bacillus cereus with Zinc and 2-Phosphonopropionic acid
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-8e7r:
Crystal Structure of FosB from Bacillus cereus with Zinc and Phosphonoacetate
Method: X-RAY DIFFRACTION / Resolution: 1.975 Å

PDB-8g7f:
Crystal Structure of FosB from Bacillus cereus with Zinc and 1-hydroxypropylphosphonic acid
Method: X-RAY DIFFRACTION / Resolution: 2.04 Å

PDB-8g7g:
Crystal Structure of FosB from Bacillus cereus with Zinc and (1-hydroxy-2-methylpropyl)phosphonic acid
Method: X-RAY DIFFRACTION / Resolution: 2.23 Å

PDB-8g7h:
Crystal Structure of FosB from Bacillus cereus with Zinc and (1-hydroxypropan-2-yl)phosphonic acid
Method: X-RAY DIFFRACTION / Resolution: 1.81 Å

PDB-8g7i:
Crystal Structure of FosB from Bacillus cereus with Zinc and Sulfate
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

Chemicals

ChemComp-UXR:
(2S)-2-phosphonopropanoic acid

ChemComp-FMT:
FORMIC ACID

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-PAE:
PHOSPHONOACETIC ACID

ChemComp-1JJ:
[(1S)-1-hydroxypropyl]phosphonic acid

ChemComp-GOL:
GLYCEROL

ChemComp-YS8:
[(1R)-1-hydroxy-2-methylpropyl]phosphonic acid

ChemComp-YRQ:
[(2S)-1-hydroxypropan-2-yl]phosphonic acid

ChemComp-SO4:
SULFATE ION

Source
  • bacillus cereus (bacteria)
KeywordsTRANSFERASE / inhibitor / 2-phosphonopropionic acid / phosphonoacetate / FosB / homodimer / bacillithiol-S-transferase

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