ISDA: 23ML

Deposition Date 2026-02-11

Release Date 2026-06-03

Last Version Date 2026-06-24

Entry Detail

PDB ID:

23ML

Keywords:

VIRAL PROTEIN

Title:

Crystal structure of SARS-CoV-2 main protease Q189K mutant in complex with leritrelvir

Biological Source:

Source Organism(s):

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

Expression System(s):

Escherichia coli bl21(de3)

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

2.16 Å

R-Value Free:

0.25

R-Value Work:

0.19

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
Gene (Uniprot):rep
Mutagens:Q189K
Chain IDs:A, B
Chain Length:306
Number of Molecules:2
Biological Source:Severe acute respiratory syndrome coronavirus 2

UniProt ID:P0DTD1 Pfam ID:PF05409 EC:2.7.7.48

Ligand Molecules

7ON

Primary Citation

Enhanced Target Binding by Leritrelvir Restores Dimerization of M<sup>pro</sup> Mutants and Mitigates Drug Resistance

Huang, X, Kuzmic, P, Zhang, S, Ramos-Guzman, C.A, Chen, X, Gui, J, Li, Q, Yan, S, Zou, B, Niu, C, Zhao, Y, Lin, H, Wang, N, Chen, J, Chen, X, Spencer, J, Mulholland, A.J, Chen, J, Zhong, N, Yang, Z, Xiong, X.Show

Biorxiv ? ? ? (2026)

DOI: 10.64898/2026.06.09.730104

Primary Citation of related structures

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