The X-ray structure of the S. aureus PBP 2a (left) is shown as a solvent-accessible Connolly surface...

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

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The X-ray structure of the S. aureus PBP 2a (left) is shown as a solvent-accessible Connolly surface...

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