Structural dynamics of SARS-CoV-2 variants: A health monitoring strategy for anticipating Covid-19 outbreaks

J Fantini, N Yahi, F Azzaz, H Chahinian - Journal of Infection, 2021 - Elsevier
… of SARS-CoV-2 spike trimer in the closed and open states. A. The closed conformation of
SARS-CoV… of the RBD-ACE-2 complex through locking residues K353 and Y41 (ΔG mut /ΔG wt …

Full-length computational model of the SARS-CoV-2 spike protein and its implications for a viral membrane fusion mechanism

W Nishima, M Kulik - Viruses, 2021 - mdpi.com
… structures, except for the ‘lockedconformation, where it is notably stabilized with three
RBD Down forms [10,11]. In the resolved structures of the ‘lockedconformation, the 833–855 …

Structural analysis of neutralizing epitopes of the SARS-CoV-2 spike to guide therapy and vaccine design strategies

MT Finkelstein, AG Mermelstein, E Parker Miller… - Viruses, 2021 - mdpi.com
… into the structural conformation of the SARS-CoV-2 spike, … We highlight the different mAb
epitopes on SARS-CoV-2 S … This suggests that 2–43 can lock the spike in a closed conformation

[HTML][HTML] Two adjacent mutations on the dimer interface of SARS coronavirus 3C-like protease cause different conformational changes in crystal structure

T Hu, Y Zhang, L Li, K Wang, S Chen, J Chen, J Ding… - Virology, 2009 - Elsevier
The 3C-like protease of SARS coronavirus (SARS-CoV 3CL pro ) is vital for SARS-CoV … of
these two residues in maintaining the active conformation of SARS-CoV 3CL pro . S139A is a …

Stabilization of the SARS-CoV-2 spike receptor-binding domain using deep mutational scanning and structure-based design

D Ellis, N Brunette, KHD Crawford, AC Walls… - Frontiers in …, 2021 - frontiersin.org
The unprecedented global demand for SARS-CoV-2 vaccines has demonstrated the need
for highly effective vaccine candidates that are thermostable and amenable to large-scale …

Posttranslational modifications optimize the ability of SARS-CoV-2 spike for effective interaction with host cell receptors

K Kapoor, T Chen… - Proceedings of the …, 2022 - National Acad Sciences
… and use it for microsecond-scale MD simulations to characterize its conformational dynamics.
We describe these conformational changes in terms of bending and twisting motions of the …

Structural basis of SARS-CoV-2 spike protein induced by ACE2

T Meirson, D Bomze, G Markel - Bioinformatics, 2021 - academic.oup.com
… domain (RBD) causing conformational changes in S protein … Unraveling the dynamic
structural features used by SARS-CoV-2 … conformational states adopted by the SARS-CoV-2-RBD. …

[HTML][HTML] SARS-CoV-2 simulations go exascale to capture spike opening and reveal cryptic pockets across the proteome

MI Zimmerman, JR Porter, MD Ward, S Singh, N Vithani… - BioRxiv, 2020 - ncbi.nlm.nih.gov
… proteins and complexes that pertain to SARS-CoV-2. Together, … of conformational changes
that are essential for SARS-CoV-2’… SARS-CoV-1 has the highest population of conformations

[PDF][PDF] SARS-CoV-2 infection: the lock and the key

B Illi - sibbm.org
… structure of CoV-2-S is basically identical to that of SARSCoV and MERS-CoV Spikes, however
CoV-2… In the down conformation, CoV-2-S cannot mediate CoV-2 fusion with the host cell …

Protein engineering responses to the COVID-19 pandemic

CL Hsieh, JS McLellan - Current Opinion in Structural Biology, 2022 - Elsevier
… binding to the ACE2 binding site or by locking the RBD in a receptor-inaccessible down …
effectively stabilized the MERS-CoV and SARS-CoV spikes in the prefusion conformation [39,40]…