ISDA: 9VKK

Deposition Date 2025-06-23

Release Date 2026-04-01

Last Version Date 2026-04-01

Entry Detail

PDB ID:

9VKK

Keywords:

HYDROLASE

Title:

Crystal structure of EV71 3C protease in complex with bofutrelvir

Biological Source:

Source Organism(s):

Human enterovirus 71 (strain BRCR) (Taxon ID: 69153)

Expression System(s):

Escherichia coli bl21(de3)

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

2.30 Å

R-Value Free:

0.21

R-Value Work:

0.16

R-Value Observed:

0.16

Space Group:

C 1 2 1

Download Validation Report

Macromolecular Entities

Polymer Type:polypeptide(L)
Molecule:Protease 3C
Chain IDs:A
Chain Length:183
Number of Molecules:1
Biological Source:Human enterovirus 71 (strain BRCR)

Ligand Molecules

FHR

GOL

Peptide-like Molecules

PRD_002347

Primary Citation

A clinical SARS-CoV-2 Mpro inhibitor blocks replication of multiple enteroviruses and confers oral in vivo protection in animal models.

Ye, Z, Dai, W, Zhang, S, Xiang, Y, Wang, J, Zhang, Y, Cao, W, Neyts, J, Li, Z, Feng, F, Xiao, G, Liu, H, Cao, J, Zhang, L.K.Show

Plos Pathog. 22 e1014051 e1014051 (2026)

PMID: 41811867 DOI: 10.1371/journal.ppat.1014051

Primary Citation of related structures

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