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. Author manuscript; available in PMC: 2019 Jan 26.
Published in final edited form as: J Med Chem. 2016 Oct 3;59(19):9094–9106. doi: 10.1021/acs.jmedchem.6b00993

Figure 3.

Figure 3.

Small molecule ligand or water is identified at the active site of LMW-PTP. Unbiased Fo-Fc difference map of (A) MES, (B) Compound 7, (C) Compound 9, and (D) three waters contoured at +3σ level is shown in green mesh. Small molecules are shown in stick (carbon in cyan), waters are shown in sphere, and the catalytic Cys12 and Arg18 in LMW-PTP are shown in stick (carbon in gray).