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Structure paper

TitleIdentification of covalent inhibitors of Staphylococcus aureus serine hydrolases important for virulence and biofilm formation.
Journal, issue, pagesNat Commun, Vol. 16, Page 5046-5046, Year 2025
Publish dateJun 28, 2023 (structure data deposition date)
AuthorsUpadhyay, T. / Woods, E.C. / Dela Ahator, S. / Julin, K. / Faucher, F.F. / Uddin, M.J. / Hollander, M.J. / Pedowitz, N.J. / Abegg, D. / Hammond, I. ...Upadhyay, T. / Woods, E.C. / Dela Ahator, S. / Julin, K. / Faucher, F.F. / Uddin, M.J. / Hollander, M.J. / Pedowitz, N.J. / Abegg, D. / Hammond, I. / Eke, I.E. / Wang, S. / Chen, S. / Bennett, J.M. / Jo, J. / Lentz, C.S. / Adibekian, A. / Fellner, M. / Bogyo, M.
External linksNat Commun / PubMed:40447595
MethodsX-ray diffraction
Resolution1.39 - 2.39 Å
Structure data

PDB-8tav:
FphH, Staphylococcus aureus fluorophosphonate-binding serine hydrolases H, boronic acid-based compound N34 bound
Method: X-RAY DIFFRACTION / Resolution: 1.39 Å

PDB-8tfw:
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, boronic acid-based compound N34 bound
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

PDB-8ugm:
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, boronic acid-based compound Z27 bound
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-8uix:
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, boronic acid-based compound Y43 bound
Method: X-RAY DIFFRACTION / Resolution: 2.39 Å

PDB-8uwm:
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, borolane-based compound Q41 bound
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

Chemicals


ChemComp, No image

ChemComp-ZKR:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-MG:
Unknown entry


ChemComp, No image

ChemComp-WKK:
Unknown entry


ChemComp, No image

ChemComp-WS8:
Unknown entry


ChemComp, No image

ChemComp-XPU:
Unknown entry

Source
  • staphylococcus aureus subsp. aureus usa300 (bacteria)
KeywordsHYDROLASE / FphH / Staphylococcus aureus / S. aureus / fluorophosphonate-binding / serine hydrolases / lipase / boronic acid / covalent / boron-serine / boron-histidine / FphE / borolane

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