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. Author manuscript; available in PMC: 2012 Jun 26.
Published in final edited form as: Curr Top Med Chem. 2009;9(9):755–770. doi: 10.2174/156802609789207091

Figure 7.

Figure 7

Docking discovers two novel β-lactamase inhibitors. (A) Structures of the two new inhibitors. (B) Initial unbiased Fo-Fc density contoured at 3 σ from the 1.8 Å structure with compound 3 modeled. Full crystallographic statistics are given in Table S3, Supporting Information. (C) Hydrogen bonding pattern of 3 with AmpC. (D) Overlay of the crystal structure (white carbons) overlaid to the initial pose proposed by DOCK (magenta carbons). The RMSD of the heavy atoms between the two poses was 0.9 Å. (from Ref. [31]