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| Title | Optimization of TopoIV Potency, ADMET Properties, and hERG Inhibition of 5-Amino-1,3-dioxane-Linked Novel Bacterial Topoisomerase Inhibitors: Identification of a Lead with In Vivo Efficacy against MRSA. |
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| Journal, issue, pages | J. Med. Chem., Vol. 64, Page 15214-15249, Year 2021 |
| Publish date | May 15, 2021 (structure data deposition date) |
 Authors | Lu, Y. / Vibhute, S. / Li, L. / Okumu, A. / Ratigan, S.C. / Nolan, S. / Papa, J.L. / Mann, C.A. / English, A. / Chen, A. ...Lu, Y. / Vibhute, S. / Li, L. / Okumu, A. / Ratigan, S.C. / Nolan, S. / Papa, J.L. / Mann, C.A. / English, A. / Chen, A. / Seffernick, J.T. / Koci, B. / Duncan, L.R. / Roth, B. / Cummings, J.E. / Slayden, R.A. / Lindert, S. / McElroy, C.A. / Wozniak, D.J. / Yalowich, J. / Mitton-Fry, M.J. |
 External links | J. Med. Chem. / PubMed:34614347 |
| Methods | X-ray diffraction |
| Resolution | 2.60137142659 Å |
| Structure data |  PDB-7mvs: |
| Chemicals |  ChemComp-CL:  ChemComp-MN:  ChemComp-SO4:  ChemComp-Y1W:  ChemComp-HOH: |
| Source |
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 Keywords | ISOMERASE/DNA/ANTIBIOTIC / Inhibitor / Complex / DNA / Gyrase / ANTIBIOTIC / ISOMERASE-DNA-ANTIBIOTIC complex |
staphylococcus aureus (bacteria)