Validated SARS-CoV-2 related structural models of potential drug targets

Rational drug design against emerging threats depends on well-established current methodology worked out by structural biology to provide accurate structure models of the macromolecular drug targets. In the current COVID-19 crisis, the structural biological community has responded at once, presenting in rapid succession structure models of CoV-2 proteins and depositing them in the Protein Data Bank (PDB), without time embargo and before publication. Since the structures from the first-line research are produced in an accelerated mode, there is an elevated chance of mistakes and errors. Here, we provide a source of carefully validated PDB models of CoV-2 proteins, with the aim of helping the biomedical community to establish a validated database.

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About the corrections - encouragement for redeposition

In the course of this project we have corrected over 100 PDB models. We strongly encourage the authors of the original deposits to make constructive use of our corrections and to update their models in the PDB via the versioning mechanism, which allows depositors to update their entries while retaining the same PDB code. We recommend either taking the updated models on our website as starting points, or using the list of corrections in "Re-refinement summary" for each structure. As these models were not always fully finalized for deposition, all corrections should be carefully inspected, new PDB validation reports should be generated, and any remaining issues should be addressed. To filter out only corrected structures from the list, you can use the "With corrections" preset in the filters below. If there are any questions regarding particular corrections, please .

Structures

Our database currently contains information about 941 SARS-CoV-2 protein structures and 64 additional structures of other coronaviruses. Use the filters below to select rows with attributes of interest. Next to each filter value, the number of shown/total structures from the group is displayed. Multiple values can be selected across multiple panes. To select more than one value within a single search pane, press and hold Ctrl or Shift when selecting filters. Text search can be performed using the search box on the left below the filters.