[PDF][PDF] A new inactive conformation of SARS-CoV-2 main protease

E Fornasier, ML Macchia, G Giachin… - … Section D: Structural …, 2022 - journals.iucr.org
… and that many of the key interactions of the active conformation of the enzyme around the
active site are lost. Solvation/ desolvation energetic contributions play an important role in the …

Three-dimensional domain swapping as a mechanism to lock the active conformation in a super-active octamer of SARS-CoV main protease

S Zhang, N Zhong, F Xue, X Kang, X Ren, J Chen… - Protein & cell, 2010 - Springer
SARS coronavirus (SARS-CoV) was identified as the etiological agent of the pandemic …
acute respiratory syndrome (SARS). During the outbreak in 2003, SARS-CoV infected more than …

An extended conformation of SARS-CoV-2 main protease reveals allosteric targets

Z Sun, L Wang, X Li, C Fan, J Xu… - Proceedings of the …, 2022 - National Acad Sciences
active conformation. However, there is an equilibrium between the inactive monomer and
active … Most studies have focused on the active dimeric M pro , with the development of antiviral …

Uncovering flexible active site conformations of SARS-CoV-2 3CL proteases through protease pharmacophore clusters and COVID-19 drug repurposing

N Pathak, YT Chen, YC Hsu, NY Hsu, CJ Kuo… - Acs Nano, 2020 - ACS Publications
… and summarize the diversity of active site flexible conformations in our SARS-CoV-2 3CL …
The final six PPCs obtained represent all of the diverse conformations of active sites occurring …

Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2

R Yan, Y Zhang, Y Li, F Ye, Y Guo, L Xia, X Zhong… - Cell research, 2021 - nature.com
… The S protein undergoes a clockwise twist from the locked conformation to the active
conformation when looked from the S protein to the viral membrane, which loosens the NTD and …

Activation and maturation of SARS-CoV main protease

B Xia, X Kang - Protein & cell, 2011 - Springer
SARS coronavirus (SARS-CoV) is the etiological agent of the … severe acute respiratory
syndrome (SARS) outbreak in 2003 (… active conformation in a super-active octamer of SARS-CoV

SARS-COV-2 Mpro conformational changes induced by covalently bound ligands

GM Ferreira, T Kronenberger, AK Tonduru… - Journal of …, 2022 - Taylor & Francis
active conformation is stabilized by the interaction between the substrate and main-chain
atoms of Gly143 and Cys145. In active conformations of … for the active conformation and ligand …

Elucidation of interactions regulating conformational stability and dynamics of SARS-CoV-2 S-protein

T Mori, J Jung, C Kobayashi, HM Dokainish, S Re… - Biophysical journal, 2021 - cell.com
… characterize the conformational fluctuations and interdomain interactions of SARS-CoV-2 …
are rearranged in the conformational transition from the inactive to the active forms, which is …

Unmasking the conformational stability and inhibitor binding to SARS-CoV-2 main protease active site mutants and miniprecursor

A Kovalevsky, L Coates, DW Kneller… - Journal of molecular …, 2022 - Elsevier
… binding of such inhibitors to the active site of MPro precursor prior … SARS CoV isolate and
not to the recent SARS CoV-2 MPro.22, 23 A recent study aiming to address the conformation

Structure of SARS-CoV-2 main protease in the apo state

X Zhou, F Zhong, C Lin, X Hu, Y Zhang, B Xiong… - Science China Life …, 2021 - Springer
… The N-finger plays an important role in the formation of the active site and auto cleavage …
protomer, stabilizing the active site and dimer in the active conformation, while the electron …