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Figure 10
Ensemble refinement. The 60 structures generated by ensemble refinement highlight the mobile regions of new-inactive Mpro. The oxyanion loop, which is confirmed in the new conformation, has a flexibility similar to those of residues 43–51 and 188–198 involved in substrate recognition as the S3 and S4 sites.

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
Volume 78| Part 3| March 2022| Pages 363-378
https://doi.org/10.1107/S2059798322000948
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