Biological and Medicinal Chemistry

Homology Models of Coronavirus 3CLpro Protease

Authors

Abstract

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

Content

Thumbnail image of Stoermer_2020_Wuhan_CoV_3CLpro040220.pdf

Supplementary material

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TOC graphic
Thumbnail image of EMBOSS_NEEDLE_Alignments.tgz
EMBOSS NEEDLE Alignments
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Raw models
Thumbnail image of Refined_Dimers.tgz
Refined Dimers
Thumbnail image of Refined_monomers.tgz
Refined monomers
Thumbnail image of Bat_WH_SARS_protease.txt
Bat WH SARS protease
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README
Thumbnail image of WH_human_3CLproModel2_from3vb3_Minimised.txt
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_3CLpro_SI040220.docx
Stoermer 2020 Wuhan CoV 3CLpro SI040220
Thumbnail image of Stoermer_2020_Wuhan_CoV_3CLpro040220.docx
Stoermer 2020 Wuhan CoV 3CLpro040220