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. 2021 Jun 24;11:13208. doi: 10.1038/s41598-021-92416-4

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© The Author(s) 2021, corrected publication 2021

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.

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Crystal structures of SARS-CoV-2 M^pro in complex with ReFRAME inhibitors. (a) Ribbon representation with transparent surface of the M^pro dimer coloured in red and blue to delineate each protomer. The structures of M^pro in complex with 1 and 5 (sticks with yellow and green transparent surface, respectively) reveal that both bind in the M^pro substrate binding pocket. (b) Surface representation showing the overall binding modes of compound 1 and 5 (green and yellow transparent surfaces, respectively). (c) and (d) Stick representations of compounds 1 and 5 showing interactions (hydrogen bonds as dashed lines) within the M^pro binding pocket. Structures are deposited in the pdb as 7AEH for 1 and 7AEG for 5. Figure generated with PyMOL, The PyMOL Molecular Graphics System, Version 2.0 Schrödinger, LLC (https://pymol.org/2/).