Biological and Medicinal Chemistry

Homology Models of Coronavirus 2019-nCoV 3CLpro Protease



A regional outbreak of pneumonia in Wuhan, Hubei Province of China in late 2019 was associated with a novel coronavirus. Rapid release of genomic data for the isolated virus enabled the construction of first-generation homology models of the new CoV 3CLpro cysteine protease. Whilst the overall viral genome was most closely associated with bat coronaviruses, the main protease is most closely related (96% identity) to SARS CoV protease.

Version notes

17/01/2020 Initial ChemRxiv upload - awaiting feedback from data suppliers 20/01/2020 Submission 5/2/2019 - Revised title


Thumbnail image of Stoermer_2020_Wuhan_CoV_3CLpro040220.pdf

Supplementary material

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TOC graphic
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Raw models
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Refined Dimers
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Refined monomers
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Bat WH SARS protease
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WH human 3CLproModel2 from3vb3 Minimised
Thumbnail image of Stoermer_2020_Wuhan_CoV_3CLpro_SI040220.pdf
Stoermer 2020 Wuhan CoV 3CLpro SI040220
Thumbnail image of Stoermer_2020_Wuhan_CoV_3CLpro040220.docx
Stoermer 2020 Wuhan CoV 3CLpro040220
Thumbnail image of Stoermer_2020_Wuhan_CoV_3CLpro_SI040220.docx
Stoermer 2020 Wuhan CoV 3CLpro SI040220