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Structure paper

TitleStructure-based macrocyclization of alpha-ketoamides leads to potent inhibitors of coronaviral and enteroviral proteases.
Journal, issue, pagesCommun Chem, Vol. 9, Year 2026
Publish dateMar 6, 2026 (structure data deposition date)
AuthorsAkula, R.K. / El Kilani, H. / Metzen, A. / Joshi, S. / Durmaz, H. / Veenstra, R. / Roske, J. / Hurdiss, D.L. / Van Kuppeveld, F.J.M. / Rox, K. ...Akula, R.K. / El Kilani, H. / Metzen, A. / Joshi, S. / Durmaz, H. / Veenstra, R. / Roske, J. / Hurdiss, D.L. / Van Kuppeveld, F.J.M. / Rox, K. / Hilgenfeld, R. / Bronstrup, M.
External linksCommun Chem / PubMed:42562838
MethodsX-ray diffraction
Resolution1.5 - 2.08 Å
Structure data

PDB-29ct:
Crystal structure of enterovirus D68-3Cpro in complex with RK-384
Method: X-RAY DIFFRACTION / Resolution: 1.91 Å

PDB-29da:
Crystal structure of enterovirus D68-3Cpro in complex with RK-496
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-9ssn:
Crystal structure of SARS-CoV-2 Mpro in complex with RK-240
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-9sso:
Crystal structure of SARS-CoV-2 Mpro in complex with RK-496
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-9t52:
Crystal structure of SARS-CoV-2 Mpro in complex with RK-452
Method: X-RAY DIFFRACTION / Resolution: 1.76 Å

PDB-9t55:
Crystal structure of SARS-CoV-2 Mpro in complex with RK-384
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-9t5e:
Crystal structure of SARS-CoV-2 Mpro in complex with RK-468
Method: X-RAY DIFFRACTION / Resolution: 1.689 Å

PDB-9t5f:
Crystal structure of SARS-CoV-2 Mpro in complex with RK-491
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

PDB-9t72:
Crystal structure of SARS-CoV-2 Mpro in complex with RK-411
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

PDB-1jts:
DNA PROTECTION AND BINDING BY E. COLI DPS PROTEIN

ChemComp-HOH:
WATER

PDB-1jqy:
HEAT-LABILE ENTEROTOXIN B-PENTAMER WITH LIGAND BMSC-0010

PDB-1jqx:
The R57A mutant of Lactococcus lactis dihydroorotate dehydrogenase A

PDB-1jtt:
Degenerate interfaces in antigen-antibody complexes


PDB Unreleased entry

PDB-1jtr: Unknown entry

PDB-1jtv:
Crystal structure of 17beta-Hydroxysteroid Dehydrogenase Type 1 complexed with Testosterone

PDB-1jt7:
Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form with Amino Terminal His Tag AND LEU 44 REPLACED BY PHE AND LEU 73 REPLACED BY VAL AND VAL 109 REPLACED BY LEU (L44F/L73V/V109L)

Source
  • enterovirus
  • severe acute respiratory syndrome coronavirus
  • severe acute respiratory syndrome coronavirus 2
KeywordsVIRAL PROTEIN / 3Cpro / enterovirus / inhibitor / SARS-CoV-2 / Mpro / complex

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