ISDA: 9T5E

Deposition Date 2025-11-05

Release Date 2026-08-19

Last Version Date 2026-08-19

Entry Detail

PDB ID:

9T5E

Keywords:

VIRAL PROTEIN

Title:

Crystal structure of SARS-CoV-2 Mpro in complex with RK-468

Biological Source:

Source Organism(s):

Severe acute respiratory syndrome coronavirus 2 (Taxon ID: 2697049)

Expression System(s):

Escherichia coli

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

1.69 Å

R-Value Free:

0.24

R-Value Work:

0.20

Space Group:

P 21 21 21

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Macromolecular Entities

Polymer Type:polypeptide(L)
Molecule:3C-like proteinase nsp5
Chain IDs:A, B
Chain Length:303
Number of Molecules:2
Biological Source:Severe acute respiratory syndrome coronavirus 2

Ligand Molecules

A1JTR

Primary Citation

Structure-based macrocyclization of alpha-ketoamides leads to potent inhibitors of coronaviral and enteroviral proteases.

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.Show

Commun Chem 9 ? ? (2026)

PMID: 42562838 DOI: 10.1038/s42004-026-02151-y

Primary Citation of related structures

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