ISDA: 9GMQ

Deposition Date 2024-08-29

Release Date 2025-01-29

Last Version Date 2026-09-02

Entry Detail

PDB ID:

9GMQ

Keywords:

ANTIVIRAL PROTEIN

Title:

Crystal structure of the Mpro of SARS COV-2 in complex with the MG-87 inhibitor

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:

2.19 Å

R-Value Free:

0.21

R-Value Work:

0.16

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
Chain Length:306
Number of Molecules:2
Biological Source:Severe acute respiratory syndrome coronavirus 2

UniProt ID:P0DTC1 Pfam ID:PF05409 EC:3.4.22.69

Ligand Molecules

MXU

Primary Citation

Investigating the Binding Mode of a Naphthol-Based Inhibitor Targeting SARS-CoV-2 Main Protease.

Akrani, I, El Kilani, H, Touret, F, Kouvali, S, Gourni, V, Tsoka, A, Tsetis, J.K, Vorgias, C, Hilgenfeld, R, Kostakis, I.K, Myrianthopoulos, V, Mikros, E.Show

Chemmedchem 21 e70448 e70448 (2026)

PMID: 42647061 DOI: 10.1002/cmdc.70448

Primary Citation of related structures

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