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Structure paper

TitleMetallo-beta-lactamase inhibitors by bioisosteric replacement: Preparation, activity and binding.
Journal, issue, pagesEur J Med Chem, Vol. 135, Page 159-173, Year 2017
Publish dateDec 8, 2016 (structure data deposition date)
AuthorsSkagseth, S. / Akhter, S. / Paulsen, M.H. / Muhammad, Z. / Lauksund, S. / Leiros, H.S. / Bayer, A.
External linksEur J Med Chem / PubMed:28445786
MethodsX-ray diffraction
Resolution1.55 - 1.85 Å
Structure data

PDB-5mm9:
VIM-2_2b. Metallo-beta-Lactamase Inhibitors by Bioisosteric Replacement: Preparation, Activity and Binding
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-5nhz:
VIM-2_10b. Metallo-beta-Lactamase Inhibitors by Bioisosteric Replacement: Preparation, Activity and Binding
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-5ni0:
VIM-2_10c. Metallo-beta-Lactamase Inhibitors by Bioisosteric Replacement: Preparation, Activity and Binding
Method: X-RAY DIFFRACTION / Resolution: 1.673 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-8SH:
(2~{R})-2-diethoxyphosphoryl-5-phenyl-pentane-1-thiol

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-8XZ:
[(2~{R})-1-ethanoylsulfanyl-5-phenyl-pentan-2-yl]phosphonic acid

ChemComp-CL:
Unknown entry

ChemComp-PO4:
PHOSPHATE ION

ChemComp-SO4:
SULFATE ION

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-8XW:
[(2~{R})-1-ethanoylsulfanyl-6-phenyl-hexan-2-yl]phosphonic acid

Source
  • pseudomonas aeruginosa (bacteria)
KeywordsHYDROLASE / inhibition properties / bioisosters / thiols / metallo-beta-lactamase inhibitor

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