Structural plasticity of SARS-CoV-2 3CL Mpro active site cavity | ResearchBunny

Index

Abstract

The COVID-19 pandemic, caused by SARS-CoV-2, necessitates the development of antiviral inhibitors. The main protease 3CL Mpro is a promising target due to its crucial role in viral replication. This study presents the room-temperature X-ray structure of unliganded SARS-CoV-2 3CL Mpro, revealing the active site and catalytic cavity conformation at near-physiological temperatures. Comparison with low-temperature structures suggests the room-temperature structure offers more relevant information for molecular docking studies.

Publisher

Nature Communications

Published On

Jun 24, 2020

Authors

Daniel W. Kneller, Gwyndalyn Phillips, Hugh M. O'Neill, Robert Jedrzejczak, Lucy Stols, Paul Langan, Andrzej Joachimiak, Leighton Coates, Andrey Kovalevsky

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