Raw diffraction images of several SARS-CoV-2 nsp10-ExoN fragment complexes (space group P212121)

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 P212121. Further, a repository of the corresponding PanDDA analysis can be found here: https://doi.org/10.5281/zenodo.11182320 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 9FWH NSP1014-x0053 VT00019 O=S1(=O)CC(CN1)C1=CC=CC=C1 9FWJ NSP1014-x0072 VT00079 COC1=C(C=CC=C1)C(N)=O 9FWP NSP1014-x0109 VT00198 CNC(=O)C1=CC=CC=C1 9FWO NSP1014-x0118 VT00216 CN1C=CC=C1C(N)=O 9FWQ NSP1014-x0120 VT00218 C1CCC2=NN=CN2C1 9FWN NSP1014-x0121 VT00219 CN(CC1=CC=CC=C1)C(N)=O 9FWR NSP1014-x0151 VT00249 O=C1N[C@@H](CO1)C1=CC=CC=C1 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