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5RGV

PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444622066 (Mpro-x2563)

Summary for 5RGV
Entry DOI10.2210/pdb5rgv/pdb
Group depositionPanDDA analysis group deposition SARS-CoV-2 main protease fragment screen (G_1002155)
Descriptor3C-like proteinase, 2-(isoquinolin-4-yl)-N-phenylacetamide, DIMETHYL SULFOXIDE, ... (4 entities in total)
Functional Keywordssgc - diamond i04-1 fragment screening, pandda, xchemexplorer, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceSevere acute respiratory syndrome coronavirus 2 (2019-nCoV)
Total number of polymer chains1
Total formula weight34400.38
Authors
Primary citationFearon, D.,Owen, C.D.,Douangamath, A.,Lukacik, P.,Powell, A.J.,Strain-Damerell, C.M.,Resnick, E.,Krojer, T.,Gehrtz, P.,Wild, C.,Aimon, A.,Brandao-Neto, J.,Carbery, A.,Dunnett, L.,Skyner, R.,Snee, M.,London, N.,Walsh, M.A.,von Delft, F.
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
To Be Published,
Experimental method
X-RAY DIFFRACTION (1.82 Å)
Structure validation

217705

PDB entries from 2024-03-27

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