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8DIG

Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors

Resources
File formatFile name (file size)
PDBx/mmCIF8dig.cif.gz Display(127.12 KB)
8dig.cif
PDBx/mmJSONall8dig.json.gz Display (Tree)(84.75 KB)
8dig.json
no-atom8dig-noatom.json.gz Display (Header)(16.35 KB)
8dig-noatom.json
add only8dig-plus.json.gz Display(718.00 B)
8dig-plus.json
PDBMLall8dig.xml.gz Display(170.31 KB)
8dig.xml
no-atom8dig-noatom.xml.gz Display(31.82 KB)
8dig-noatom.xml
ext-atom8dig-extatom.xml.gz Display(103.17 KB)
8dig-extatom.xml
PDBpdb8dig.ent.gz Display(96.44 KB)
pdb8dig.ent
RDF8dig.rdf.gz Visualize(93.71 KB)
8dig.rdf
Structure factorsr8digsf.ent.gz Display(1.02 MB)
r8digsf.ent
Biological unit (mmCIF format)8dig-assembly1.cif.gz Display(114.72 KB)
8dig-assembly1.cif (A,B)

*author and software defined assembly, 2 molecule(s) (dimeric)

Biological unit (PDB format)8dig.pdb1.gz Display(91.88 KB)
8dig.pdb1 (A,B)

*author and software defined assembly, 2 molecule(s) (dimeric)

Validation reportsPDF8dig_validation.pdf.gz Display(736.88 KB)
8dig_validation.pdf
PDF-full8dig_full_validation.pdf.gz Display(744.61 KB)
8dig_full_validation.pdf
mmCIF8dig_validation.cif.gz Display(30.60 KB)
8dig_validation.cif
XML8dig_validation.xml.gz Display(22.70 KB)
8dig_validation.xml
PNG8dig_multipercentile_validation.png.gz Display(164.33 KB)
8dig_multipercentile_validation.png
SVG8dig_multipercentile_validation.svg.gz Display(954.00 B)
8dig_multipercentile_validation.svg
EDMap2fo-fc (PDBx/mmCIF)8dig_validation_2fo-fc_map_coef.cif.gz Display(266.54 KB)
8dig_validation_2fo-fc_map_coef.cif
fo-fc (PDBx/mmCIF)8dig_validation_fo-fc_map_coef.cif.gz Display(260.30 KB)
8dig_validation_fo-fc_map_coef.cif
2fo-fc (MTZ)8dig_validation_2fo-fc_map_coef.mtz Visualize(636.55 KB)
fo-fc (MTZ)8dig_validation_fo-fc_map_coef.mtz Visualize(636.55 KB)

220113

PDB entries from 2024-05-22

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