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. 2023 Aug 18;66(17):12237–12248. doi: 10.1021/acs.jmedchem.3c00810

Figure 4.

Figure 4

Crystal structures of Mpro in complex with two alkyne-containing inhibitors. (A) Representative OMIT electron density map (mFo – DFc) contoured to 3σ for 3d in complex with Mpro (PDB: 8FY7). (B) Representative OMIT electron density map (mFo – DFc) contoured to 3σ for 4d in complex with Mpro (PDB: 8FY6). (C) Structural overlay of Mpro-3d complex (PDB: 8FY7) with the reported Mpro-PF00835231 complex (orange). (D) Structural overlay of Mpro-4d complex (PDB: 8FY6) with the reported Mpro-nirmatrelvir complex (cyan).