ISDA: 9T0R

Deposition Date 2025-10-20

Release Date 2026-08-05

Last Version Date 2026-08-05

Entry Detail

PDB ID:

9T0R

Keywords:

VIRAL PROTEIN

Title:

Crystal structure of SARS-CoV-2 Mpro in complex with GK729

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:

1.55 Å

R-Value Free:

0.24

R-Value Work:

0.21

Space Group:

P 1 21 1

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Macromolecular Entities

Structures with similar UniProt ID

Structural Superimposition Protein Blast

Polymer Type:polypeptide(L)
Molecule:3C-like proteinase nsp5
Chain IDs:A, B, C, D
Chain Length:306
Number of Molecules:4
Biological Source:Severe acute respiratory syndrome coronavirus 2

UniProt ID:P0DTC1 Pfam ID:PF05409 EC:3.4.22.69

Ligand Molecules

A1JSW

Primary Citation

Thiazolyl 4-carboxylate ketone as a new warhead for a highly potent SARS-CoV-2 main protease inhibitor.

Theodoropoulou, M.A, El Kilani, H, Mantzourani, C, Jochmans, D, Neyts, J, Zhang, K, Roske, J, Kokotou, M.G, Hilgenfeld, R, Kokotos, G.Show

Eur.J.Med.Chem. 303 118436 118436 (2026)

PMID: 41344111 DOI: 10.1016/j.ejmech.2025.118436

Primary Citation of related structures

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