Raw diffraction images of several SARS-CoV-2 nsp10-ExoN fragment complexes (space group P21)

Background: A crystallographic fragment screen against the nsp10-nsp14 ExoN heterodimeric complex from SARS-CoV-2 was performed at the FragMAX facility (MAX IV Laboratory). Crystals were soaked with compounds from the FragMAXlib library and about half of the crystals screened belonged to space group P21. Further, a repository of the corresponding PanDDA analysis can be found here: https://doi.org/10.5281/zenodo.11182318 Description: This repository contains raw X-ray diffraction images of nsp10-nsp14 which have fragments bound to them. Fragment binding was detected either in (2)fofc map, PanDDA event maps, or through analysis with Xtrapol8. All diffraction data were collected at the BioMAX beamline at MAX IV Laboratory. The following PDB accession codes are associated with datasets collected during this campaign: PDB ID crystal ID compound ID SMILES 9FWI NSP1014-x0055 VT00025 OC(C1)CN1C(c1ccccc1)=O 9FWK NSP1014-x0083 VT00123 O=C1CC(CN1)C1=CC=NC=C1 9FWL NSP1014-x0098 VT00167 NC(=O)C1=C(C=CS1)C1=CC=CC=C1 9FWM NSP1014-x0103 VT00180 NC(=O)C1=CNC2=CC=CC=C12 9FWS NSP1014-x0158 VT00258 COC1=C2NN=CC2=CC=C1 9FWT NSP1014-x0159 VT00259 COC(=O)C1=NNC2=C1CCCC2 9FWU NSP1014-x0186 VT00421 CN(C)C(=O)C1=CC(=CC=C1)O Reference: Kozielski, F., Fisher, S.Z., Ma, S., Al Busaidi, F., Krupinska, E., Nyblom, M., Sele, C., Sullivan, H.M., Krojer, T., Knecht, W., 2025. Structural basis for small molecule binding to the SARS-CoV-2 nsp10–nsp14 ExoN complex. Nucleic Acids Res 53, gkaf753. https://doi.org/10.1093/nar/gkaf753