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. 2017 Jan 27;85(1):5. doi: 10.3390/scipharm85010005

Figure 7.

Figure 7

Lowest-energy re-docked poses of co-crystallized ligands: (a) Trichomonas vaginalis methionine gamma-lyase (TvMGL, PDB 1E5F [27]) showing the co-crystallized ligand, pyridoxal-5′-phosphate (green), and the re-docked ligand (magenta); (b) T. vaginalis purine nucleoside phosphorylase (TvPNP, PDB 1Z36 [28]) showing the co-crystallized ligand, (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-d-ribitol (green), and the re-docked ligand (red); (c) human cathepsin K (HsCatK, PDB 1U9V [38]) showing the co-crystallized ligand, 6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9H-purine-2-carbonitrile (green), and the re-docked ligand (blue); and (d) human cathepsin L (HsCatL, PDB 3HWN [39]) showing the co-crystallized ligand, N-α-[(3-t-Butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-l-phenylalaninamide (green), and the re-docked ligand (aqua).