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. Author manuscript; available in PMC: 2011 Feb 26.
Published in final edited form as: J Med Chem. 2010 Oct 14;53(19):6867–6888. doi: 10.1021/jm1001748

Figure 4.

Figure 4

One high scoring rFTase active site conformation of inhibitor 1az (purple, colored by atom type) as identified by flexible ligand GOLD32 docking experiments (A) in isolation and (B) overlaid with the high scoring active site conformation of inhibitor 1a (green, colored by atom type) that was presented in Figure 1B. The co-substrate FPP was included in the docking experiments as this forms part of the binding surface.