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TitleVirtual Screening Approach and Investigation of Structure-Activity Relationships To Discover Novel Bacterial Topoisomerase Inhibitors Targeting Gram-Positive and Gram-Negative Pathogens.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 7445-7472, Year 2019
Publish dateJan 30, 2018 (structure data deposition date)
AuthorsMagaro, G. / Prati, F. / Garofalo, B. / Corso, G. / Furlotti, G. / Apicella, C. / Mangano, G. / D'Atanasio, N. / Robinson, D. / Di Giorgio, F.P. / Ombrato, R.
External linksJ. Med. Chem. / PubMed:31276392
MethodsX-ray diffraction
Resolution2.7 Å
Structure data

PDB-6fm4:
The crystal structure of S. aureus Gyrase complex with ID-130 and DNA
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-MN:
Unknown entry

ChemComp-5UA:
5'-O-CARBOXY-2'-DEOXYADENOSINE

ChemComp-DU5:
~{N}-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide

ChemComp-HOH:
WATER

Source
  • staphylococcus aureus (strain n315) (bacteria)
  • synthetic construct (others)
KeywordsISOMERASE / NBTIs / BACTERIAL TOPOISOMERASE / GYRASE

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