June 27, 2022 Dataset Open Access

Correy, Galen J.; Fraser, James S.

MARC21 XML Export

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    <subfield code="a">PanDDA files from a ligand screen against the NSP3 macrodomain of SARS-CoV-2 - ligands from fragment merging/linking and virtual screening</subfield>
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    <subfield code="a">&lt;p&gt;This deposition contains the X-ray diffraction data&amp;nbsp;used to run PanDDA&amp;nbsp;in the&amp;nbsp;ligand screen against the NSP3 macrodomain of SARS-CoV-2 described in Gahbauer et al. 2022 (doi: https://doi.org/10.1101/2022.06.27.497816).&lt;/p&gt;

&lt;p&gt;mac1_pandda.zip contains the structure factor intensities,&amp;nbsp;PanDDA input/ouput and&amp;nbsp;refined models/maps.&amp;nbsp;A description of the files can be found in the README&amp;nbsp;file.&amp;nbsp;&lt;/p&gt;

&lt;p&gt;mac1_ligand-bound_states.zip contains the ligand-bound states extracted from the multi-state PDB files.&amp;nbsp;&lt;/p&gt;</subfield>
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