the x-ray structure of the s. aureus pbp 2a (left) is shown as a solvent-accessible connolly surface...
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![Page 1: The X-ray structure of the S. aureus PBP 2a (left) is shown as a solvent-accessible Connolly surface in green. The close up of the active site (at one](https://reader036.vdocuments.us/reader036/viewer/2022070308/551c1df05503469e4f8b59be/html5/thumbnails/1.jpg)
![Page 2: The X-ray structure of the S. aureus PBP 2a (left) is shown as a solvent-accessible Connolly surface in green. The close up of the active site (at one](https://reader036.vdocuments.us/reader036/viewer/2022070308/551c1df05503469e4f8b59be/html5/thumbnails/2.jpg)
The X-ray structure of the S. aureus PBP 2a (left) is shown as a solvent-accessible Connolly surface in green. The close up of the active site (at one o’clock) is depicted in stereo, showing the fitting of compound 1 in the pose predicted by the program DOCK. Inhibitor color scheme: oxygen (red), nitrogen (blue), carbon (gray), and fluorine (aqua).
Published in: Peter I. O’Daniel; Zhihong Peng; Hualiang Pi; Sebastian A. Testero; Derong Ding; Edward Spink; Erika Leemans; Marc A. Boudreau; Takao Yamaguchi; Valerie A. Schroeder; William R. Wolter; Leticia I. Llarrull; Wei Song; Elena Lastochkin; Malika Kumarasiri; Nuno T. Antunes; Mana Espahbodi; Katerina Lichtenwalter; Mark A. Suckow; Sergei Vakulenko; Shahriar Mobashery; Mayland Chang; J. Am. Chem. Soc. 2014, 136, 3664-3672.DOI: 10.1021/ja500053xCopyright © 2014 American Chemical Society
![Page 3: The X-ray structure of the S. aureus PBP 2a (left) is shown as a solvent-accessible Connolly surface in green. The close up of the active site (at one](https://reader036.vdocuments.us/reader036/viewer/2022070308/551c1df05503469e4f8b59be/html5/thumbnails/3.jpg)
![Page 4: The X-ray structure of the S. aureus PBP 2a (left) is shown as a solvent-accessible Connolly surface in green. The close up of the active site (at one](https://reader036.vdocuments.us/reader036/viewer/2022070308/551c1df05503469e4f8b59be/html5/thumbnails/4.jpg)
Published in: Peter I. O’Daniel; Zhihong Peng; Hualiang Pi; Sebastian A. Testero; Derong Ding; Edward Spink; Erika Leemans; Marc A. Boudreau; Takao Yamaguchi; Valerie A. Schroeder; William R. Wolter; Leticia I. Llarrull; Wei Song; Elena Lastochkin; Malika Kumarasiri; Nuno T. Antunes; Mana Espahbodi; Katerina Lichtenwalter; Mark A. Suckow; Sergei Vakulenko; Shahriar Mobashery; Mayland Chang; J. Am. Chem. Soc. 2014, 136, 3664-3672.DOI: 10.1021/ja500053xCopyright © 2014 American Chemical Society
![Page 5: The X-ray structure of the S. aureus PBP 2a (left) is shown as a solvent-accessible Connolly surface in green. The close up of the active site (at one](https://reader036.vdocuments.us/reader036/viewer/2022070308/551c1df05503469e4f8b59be/html5/thumbnails/5.jpg)
Pharmacokinetics of the oxadiazoles after single iv and po administration at 50 mg/kg to mice (n = 3 per time point); (a) antibiotic 2, (b) antibiotic 3, and (c) antibiotic 4.
Published in: Peter I. O’Daniel; Zhihong Peng; Hualiang Pi; Sebastian A. Testero; Derong Ding; Edward Spink; Erika Leemans; Marc A. Boudreau; Takao Yamaguchi; Valerie A. Schroeder; William R. Wolter; Leticia I. Llarrull; Wei Song; Elena Lastochkin; Malika Kumarasiri; Nuno T. Antunes; Mana Espahbodi; Katerina Lichtenwalter; Mark A. Suckow; Sergei Vakulenko; Shahriar Mobashery; Mayland Chang; J. Am. Chem. Soc. 2014, 136, 3664-3672.DOI: 10.1021/ja500053xCopyright © 2014 American Chemical Society
![Page 6: The X-ray structure of the S. aureus PBP 2a (left) is shown as a solvent-accessible Connolly surface in green. The close up of the active site (at one](https://reader036.vdocuments.us/reader036/viewer/2022070308/551c1df05503469e4f8b59be/html5/thumbnails/6.jpg)
Effect of antibiotic 3 on macromolecular biosynthesis assays, measuring the incorporation of radiolabeled precursors into (a) peptidoglycan, (b) protein, (c) RNA, and (d) DNA, compared to known antibiotic inhibitors of the same pathways.
Published in: Peter I. O’Daniel; Zhihong Peng; Hualiang Pi; Sebastian A. Testero; Derong Ding; Edward Spink; Erika Leemans; Marc A. Boudreau; Takao Yamaguchi; Valerie A. Schroeder; William R. Wolter; Leticia I. Llarrull; Wei Song; Elena Lastochkin; Malika Kumarasiri; Nuno T. Antunes; Mana Espahbodi; Katerina Lichtenwalter; Mark A. Suckow; Sergei Vakulenko; Shahriar Mobashery; Mayland Chang; J. Am. Chem. Soc. 2014, 136, 3664-3672.DOI: 10.1021/ja500053xCopyright © 2014 American Chemical Society
Ciprofloxacin is a fluorquinolone, meaning it inhibits replication.
![Page 7: The X-ray structure of the S. aureus PBP 2a (left) is shown as a solvent-accessible Connolly surface in green. The close up of the active site (at one](https://reader036.vdocuments.us/reader036/viewer/2022070308/551c1df05503469e4f8b59be/html5/thumbnails/7.jpg)
Published in: Peter I. O’Daniel; Zhihong Peng; Hualiang Pi; Sebastian A. Testero; Derong Ding; Edward Spink; Erika Leemans; Marc A. Boudreau; Takao Yamaguchi; Valerie A. Schroeder; William R. Wolter; Leticia I. Llarrull; Wei Song; Elena Lastochkin; Malika Kumarasiri; Nuno T. Antunes; Mana Espahbodi; Katerina Lichtenwalter; Mark A. Suckow; Sergei Vakulenko; Shahriar Mobashery; Mayland Chang; J. Am. Chem. Soc. 2014, 136, 3664-3672.DOI: 10.1021/ja500053xCopyright © 2014 American Chemical Society