Selected article for: "conformational flexibility and isobutyl group"

Author: Linlin Zhang; Daizong Lin; Yuri Kusov; Yong Nian; Qingjun Ma; Jiang Wang; Albrecht von Brunn; Pieter Leyssen; Kristina Lanko; Johan Neyts; Adriaan de Wilde; Eric J. Snijder; Hong Liu; Rolf Hilgenfeld
Title: Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
  • Document date: 2020_2_10
  • ID: 7n8p9okf_26
    Snippet: We managed to obtain crystals of 11n in complex with the M pro of HCoV NL63 and found the P2 isobutyl group to be well embedded in the S2 pocket (Fig. 3e) . This is not only a consequence of the smaller size of the isobutyl group compared to the benzyl group, but also of its larger conformational flexibility, which allows a better fit to the binding site......
    Document: We managed to obtain crystals of 11n in complex with the M pro of HCoV NL63 and found the P2 isobutyl group to be well embedded in the S2 pocket (Fig. 3e) . This is not only a consequence of the smaller size of the isobutyl group compared to the benzyl group, but also of its larger conformational flexibility, which allows a better fit to the binding site.

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