Structural insights into plasticity and discovery of remdesivir metabolite GS-441524 binding in SARS-CoV-2 macrodomain

X Ni, M Schröder, V Olieric, ME Sharpe… - ACS medicinal …, 2021 - ACS Publications
… differences have been observed, suggesting that SARS-CoV-2 MD may possess some …
druggability of the SARS-CoV-2 MD, we report a collective set of crystal structures, including an …

[HTML][HTML] An overview of the crystallized structures of the SARS-CoV-2

MI Ionescu - The protein journal, 2020 - Springer
… inhibitors, SARS-CoV-2 interaction with host receptors, and the neutralizing antibodies
interactions with spike glycoprotein. In this review, the SARS-CoV-2 related structures published …

Structural insights into SARSCoV‐2 main protease conformational plasticity

B Dehury, S Mishra, S Pati - Journal of Cellular Biochemistry, 2023 - Wiley Online Library
… x-ray structure of the protease in its apo state and provided structural insights into its function
… A crystal structure only provides the snapshots of the dynamic system of a protein; however, …

Structural insight into the binding interactions of NTPs and nucleotide analogues to RNA dependent RNA polymerase of SARS-CoV-2

S Koulgi, V Jani, MU VN, U Sonavane… - … Biomolecular Structure …, 2022 - Taylor & Francis
RNA dependent RNA polymerase (RdRP) from positive-stranded RNA viruses has always
been a hot target for designing of new drugs. Major class of drugs that are targeted against …

[HTML][HTML] Structural biology of SARS-CoV-2 and implications for therapeutic development

H Yang, Z Rao - Nature Reviews Microbiology, 2021 - nature.com
… These non-structural, structural and accessory proteins … SARS-CoV-2 proteins can individually
perform essential … In this Review, we delineate the structural features of SARS-CoV-2 from …

[HTML][HTML] Impact of the double mutants on spike protein of SARS-CoV-2 B. 1.617 lineage on the human ACE2 receptor binding: A structural insight

MI Khan, MH Baig, T Mondal, M Alorabi, T Sharma… - Viruses, 2021 - mdpi.com
… We performed several structural analyses and found that the … the receptor-binding affinity of
SARS-CoV-2 and consequently … provided a deeper structural insight to better understand the …

[HTML][HTML] Structural insights on the SARS-CoV-2 variants of concern spike glycoprotein: A computational study with possible clinical implications

ME Cueno, K Imai - Frontiers in Genetics, 2021 - frontiersin.org
Coronavirus disease 2019 (COVID-19) pandemic has been attributed to SARS-CoV-2 (SARS2)
and, consequently, SARS2 has evolved into multiple SARS2 variants driving …

Structure and function of major SARS-CoV-2 and SARS-CoV proteins

R Gorkhali, P Koirala, S Rijal… - … and biology insights, 2021 - journals.sagepub.com
… ), 4 structural proteins, and 9 accessory proteins. Relative of SARS-CoV-2, SARS-CoV, has
… In this article, the function and structure of the proteins of SARS-CoV-2 and SARS-CoV are …

[HTML][HTML] Structural biology of SARS-CoV-2: open the door for novel therapies

W Yan, Y Zheng, X Zeng, B He, W Cheng - Signal Transduction and …, 2022 - nature.com
… For this purpose, we summarize the representative structures of SARS-CoV-2 and discuss
the development of drugs, antibodies, vaccines, and other therapeutic agents for targeting …

Structural insight to hydroxychloroquine-3C-like proteinase complexation from SARS-CoV-2: inhibitor modelling study through molecular docking and MD-simulation …

S Mukherjee, S Dasgupta, T Adhikary… - … Structure and …, 2021 - Taylor & Francis
… -II) molecules with SARS-CoV-2-main protease which reveals the structural organization of
the … The study may be helpful to gain a detailed structural insight on the presence of water-…