ISDA: 9XG0

Deposition Date 2025-10-29

Release Date 2026-09-23

Last Version Date 2026-09-23

Entry Detail

PDB ID:

9XG0

Keywords:

VIRAL PROTEIN

Title:

Structure of SARS-CoV-2 Mpro complexed with 4bf

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:

2.21 Å

R-Value Free:

0.25

R-Value Work:

0.17

Space Group:

C 1 2 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
Chain IDs:A
Chain Length:0
Number of Molecules:1
Biological Source:Severe acute respiratory syndrome coronavirus 2

UniProt ID:P0DTD1 Pfam ID:PF05409 EC:2.7.7.48

Ligand Molecules

A1MCJ

Primary Citation

Design, synthesis, and structural characterization of covalent tetrahydroquinoline-based inhibitors of coronavirus 3CLpro.

Pronina, A.A, Shcherbakov, D.N, Sanchez-Pimentel, A.P, Nikitina, E.V, Zubkov, F.I, Meshkova, Y.V, Marenina, M.K, Maltsev, N.V, Belenkaya, S.V, Trufanov, V.O, Volosnikova, E.A, Zaykovskay, A.V, Borisevich, S.S, Khamitov, E.M, Baev, D.S, Mustaev, E.A, Fedorov, A.Y, Arkhipov, S.G, Vlaskina, A.V, Nemchinova, A.R, Samygina, V.R, Pyankov, O.V, Yarovaya, O, Xu, W, Salakhutdinov, N.F, Khvostov, M.V.Show

Bioorg.Chem. 181 110402 110402 (2026)

PMID: 42673845 DOI: 10.1016/j.bioorg.2026.110402

Primary Citation of related structures

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