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. Author manuscript; available in PMC: 2023 Sep 19.
Published in final edited form as: J Med Chem. 2021 Sep 16;64(19):14702–14714. doi: 10.1021/acs.jmedchem.1c01214

Figure 6.

Figure 6.

X-ray structure of SARS-CoV 3CLpro bound with compound 7b at 1.63 Å. Polder electron density omit maps (mFobs – DFmodel) surrounding 7b and Cys145. Electron density is contoured at 3.5 σ. (+) density is colored violet and (−) density is colored green. Final Rwork = 19.1% and Rfree = 22.2%. The thioester bond between Cys145 and 7b is clearly visible. (PDB code:7RC1).