Datasets within this collection

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  • Raw diffraction data for mpro-x0830 / PDB ID 5REX (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5REX) - SARS-CoV-2 main protease in complex with PCM-0102287 (SMILES:ClCC(=O)N1CCN(Cc2cccc3ccccc23)CC1) 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
    Data Types:
    • Dataset
  • Raw diffraction data for mpro-x1478 / PDB ID 5RFZ (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5RFZ) - SARS-CoV-2 main protease in complex with PCM-0102274 (SMILES:ClCC(=O)Nc1cccnc1Cl) 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
    Data Types:
    • Dataset
  • Raw diffraction data for mpro-x1132 / PDB ID 5RF9 (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5RF9) - SARS-CoV-2 main protease in complex with Z217038356 (SMILES:CC1CN(CCO1)C(=O)CN2C=CC=N2) 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
    Data Types:
    • Dataset
  • Raw diffraction data for mpro-x0336 / PDB ID 5RE7 (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5RE7) - SARS-CoV-2 main protease in complex with Z30932204 (SMILES:CC(=O)NCC=1C=CC(=CC1)S(=O)(=O)N) 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
    Data Types:
    • Dataset
  • Raw diffraction data for mpro-x0749 / PDB ID 5REN (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5REN) - SARS-CoV-2 main protease in complex with PCM-0102425 (SMILES:ClCC(=O)N1CCCC(C1)c2nc3ccccc3s2) 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
    Data Types:
    • Dataset
  • Raw diffraction data for mpro-x1119 / PDB ID 5RF8 (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5RF8) - SARS-CoV-2 main protease in complex with Z271004858 (SMILES:NC=1C=CC(=CC1)S(=O)(=O)NC=2C=CC=CN2) 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
    Data Types:
    • Dataset
  • Raw diffraction data for mpro-x0831 / PDB ID 5REY (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5REY) - SARS-CoV-2 main protease in complex with PCM-0102911 (SMILES:Cc1ccccc1CN2CCCN(CC2)C(=O)CCl) 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
    Data Types:
    • Dataset
  • Raw diffraction data for mpro-x0769 / PDB ID 5RES (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5RES) - SARS-CoV-2 main protease in complex with PCM-0102281 (SMILES:Fc1ccccc1S(=O)(=O)N2CCN(CC2)C(=O)CCl) 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
    Data Types:
    • Dataset
  • Raw diffraction data for mpro-x1348 / PDB ID 5RFJ (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5RFJ) - SARS-CoV-2 main protease in complex with PCM-0103067 (SMILES:COc1cccc2sc(NC(=O)CCl)nc12) 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
    Data Types:
    • Dataset
  • Raw diffraction data for mpro-x0770 / PDB ID 5RET (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5RET) - SARS-CoV-2 main protease in complex with PCM-0102269 (SMILES:ClCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1) 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
    Data Types:
    • Dataset
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