Published on 30 March 2020
Raw diffraction data for structure of SARS-CoV-2 main protease with Z1129283193 (ID: mpro-x0107 / PDB: 5RE4)
View DatasetAragao, David;Brandao-Neto, Jose;Carbery, Anna;Crawshaw, Adam;Dias, Alexandre;Douangamath, Alice;Dunnett, Louise;Fearon, Daren;Flaig, Ralf;Gehrtz, Paul;Hall, Dave;Krojer, Tobias;London, Nir;Lukacik, Petra;Mazzorana, Marco;McAuley, Katherine;Owen, David;Powell, Ailsa;Reddi, Rambabu;Resnick, Efrat;Skyner, Rachael;Snee, Matt;Strain-Damerell, Claire;Stuart, Dave;von Delft, Frank;Walsh, Martin;Wild, Conor;Williams, Mark;Winter, Graeme
Description
Raw diffraction data for mpro-x0107 / PDB ID 5RE4 (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5RE4) - SARS-CoV-2 main protease in complex with Z1129283193 (SMILES:CC(=O)NC=1C=NC=CC1C) collected as part of an XChem crystallographic fragment screening campaign on beamline i04-1 at Diamond Light Source. The deposited structure was automatically processed with standard Diamond tools and PanDDA, however the raw data are being made available to allow reanalysis by any interested party. For more details see: https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html
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Publication Details
Subfield
Materials Chemistry
Field
Materials Science
Domain
Physical Sciences
Confidence Score
90%
Source
Open Alex
Keywords
COVID-19SARS-CoV-2 main proteaseautomated uploadPDB:5RE4Diamond Light Source / MX / XChem