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Overview of our proposed dynamic Mpro mechanism. Substrate association occurs primarily in the M1/downpro state, in which the S1 subpocket is accessible. The substrate-bound M1/down state transitions to the M2/uppro state during dimerization to the 2·M2/up–substrate complex. The 2·M2/uppro–substrate complex is more stable than the unbound form, the t1/2 of which is likely on the order of the time scale of substrate turnover.
