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5RF4

PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1741982125

Summary for 5RF4
Entry DOI10.2210/pdb5rf4/pdb
Group depositionPanDDA analysis group deposition of SARS-CoV-2 main protease fragment screen (G_1002151)
Descriptor3C-like proteinase, DIMETHYL SULFOXIDE, pyridin-2-ol, ... (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 weight34155.04
Authors
Primary citationDouangamath, A.,Fearon, D.,Gehrtz, P.,Krojer, T.,Lukacik, P.,Owen, C.D.,Resnick, E.,Strain-Damerell, C.,Aimon, A.,Abranyi-Balogh, P.,Brandao-Neto, J.,Carbery, A.,Davison, G.,Dias, A.,Downes, T.D.,Dunnett, L.,Fairhead, M.,Firth, J.D.,Jones, S.P.,Keeley, A.,Keseru, G.M.,Klein, H.F.,Martin, M.P.,Noble, M.E.M.,O'Brien, P.,Powell, A.,Reddi, R.N.,Skyner, R.,Snee, M.,Waring, M.J.,Wild, C.,London, N.,von Delft, F.,Walsh, M.A.
Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11:5047-5047, 2020
Cited by
PubMed: 33028810
DOI: 10.1038/s41467-020-18709-w
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.61 Å)
Structure validation

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