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4MDS

Discovery of N-(benzo[1,2,3]triazol-1-yl)-N-(benzyl)acetamido)phenyl) carboxamides as severe acute respiratory syndrome coronavirus (SARS-CoV) 3CLpro inhibitors: identification of ML300 and non-covalent nanomolar inhibitors with an induced-fit binding

Resources
File formatFile name (file size)
PDBx/mmCIF4mds.cif.gz Display(145.72 KB)
4mds.cif
PDBx/mmJSONall4mds.json.gz Display (Tree)(104.96 KB)
4mds.json
no-atom4mds-noatom.json.gz Display (Header)(16.76 KB)
4mds-noatom.json
add only4mds-plus.json.gz Display(943.00 B)
4mds-plus.json
PDBMLall4mds.xml.gz Display(201.04 KB)
4mds.xml
no-atom4mds-noatom.xml.gz Display(32.42 KB)
4mds-noatom.xml
ext-atom4mds-extatom.xml.gz Display(64.33 KB)
4mds-extatom.xml
pdb_nextgenallpdb_00004mds_xyz-enrich.cif.gz Display(155.04 KB)
pdb_00004mds_xyz-enrich.cif
no-atompdb_00004mds_xyz-no-atom-enrich.xml.gz Display(40.44 KB)
pdb_00004mds_xyz-no-atom-enrich.xml
ng-only4mds-plus.json.gz Display(2.83 KB)
4mds-plus.json
PDBpdb4mds.ent.gz Display(115.19 KB)
pdb4mds.ent
RDF4mds.rdf.gz Visualize(87.25 KB)
4mds.rdf
Structure factorsr4mdssf.ent.gz Display(714.84 KB)
r4mdssf.ent
Biological unit (mmCIF format)4mds-assembly1.cif.gz Display(263.22 KB)
4mds-assembly1.cif (A)

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

Biological unit (PDB format)4mds.pdb1.gz Display(212.35 KB)
4mds.pdb1 (A)

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

Validation reportsPDF4mds_validation.pdf.gz Display(801.17 KB)
4mds_validation.pdf
PDF-full4mds_full_validation.pdf.gz Display(805.03 KB)
4mds_full_validation.pdf
mmCIF4mds_validation.cif.gz Display(28.63 KB)
4mds_validation.cif
XML4mds_validation.xml.gz Display(18.26 KB)
4mds_validation.xml
PNG4mds_multipercentile_validation.png.gz Display(163.81 KB)
4mds_multipercentile_validation.png
SVG4mds_multipercentile_validation.svg.gz Display(958.00 B)
4mds_multipercentile_validation.svg
EDMap2fo-fc (PDBx/mmCIF)4mds_validation_2fo-fc_map_coef.cif.gz Display(425.22 KB)
4mds_validation_2fo-fc_map_coef.cif
fo-fc (PDBx/mmCIF)4mds_validation_fo-fc_map_coef.cif.gz Display(405.45 KB)
4mds_validation_fo-fc_map_coef.cif
2fo-fc (MTZ)4mds_validation_2fo-fc_map_coef.mtz Visualize(1020.78 KB)
fo-fc (MTZ)4mds_validation_fo-fc_map_coef.mtz Visualize(1020.78 KB)

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PDB entries from 2025-12-31

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