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Structure paper

TitleDiscovery of a Series of Indane-Containing NBTIs with Activity against Multidrug-Resistant Gram-Negative Pathogens.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 14, Page 993-998, Year 2023
Publish dateApr 18, 2023 (structure data deposition date)
AuthorsCumming, J.G. / Kreis, L. / Kuhne, H. / Wermuth, R. / Vercruysse, M. / Kramer, C. / Rudolph, M.G. / Xu, Z.
External linksAcs Med. Chem. Lett. / PubMed:37465290
MethodsX-ray diffraction
Resolution2.081 - 2.16 Å
Structure data

PDB-7fvs:
Crystal Structure of S. aureus gyrase in complex with 4-[[1-[(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl]azetidin-3-yl]methylamino]-6-fluorochromen-2-one
Method: X-RAY DIFFRACTION / Resolution: 2.16 Å

PDB-7fvt:
Crystal Structure of S. aureus gyrase in complex with 6-[5-[2-[(4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
Method: X-RAY DIFFRACTION / Resolution: 2.081 Å

Chemicals

ChemComp-MN:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-ACT:
ACETATE ION

ChemComp-61I:
4-{[(1-{[(6R)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methyl}azetidin-3-yl)methyl]amino}-6-fluoro-2H-1-benzopyran-2-one

ChemComp-HOH:
WATER

ChemComp-6I0:
6-{(5R)-5-[2-({[(2R)-4-chloro-2,3-dihydro-1H-inden-2-yl]methyl}amino)ethyl]-2-oxo-1,3-oxazolidin-3-yl}-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

Source
  • staphylococcus aureus subsp. aureus n315 (bacteria)
  • synthetic construct (others)
KeywordsISOMERASE / DNA GYRASE / TOPOISOMERASE;

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