ISDA: 9TDQ

Deposition Date 2025-11-24

Release Date 2026-08-12

Last Version Date 2026-08-12

Entry Detail

PDB ID:

9TDQ

Keywords:

VIRAL PROTEIN

Title:

Crystal structure of CHIKV nsp3 macrodomain with MDOLL-0273

Biological Source:

Source Organism(s):

Chikungunya virus (Taxon ID: 37124)

Expression System(s):

Escherichia coli b

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

1.65 Å

R-Value Free:

0.18

R-Value Work:

0.14

Space Group:

P 31

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Macromolecular Entities

Polymer Type:polypeptide(L)
Molecule:Non-structural protein 3
Chain IDs:A (auth: C), B (auth: A), C (auth: D), D (auth: B)
Chain Length:162
Number of Molecules:4
Biological Source:Chikungunya virus

Ligand Molecules

A1JVJ

Primary Citation

Discovery of thiobarbiturate-indole scaffold as a selective inhibitor targeting chikungunya virus nsP3 macrodomain through a cryptic binding pocket.

Duong, M.T.H, Parviainen, T.A.O, Thiruvaiyaru, A, Ahola, T, Heiskanen, J.P, Lehtio, L.Show

Eur.J.Med.Chem. 318 119182 119182 (2026)

PMID: 42531898 DOI: 10.1016/j.ejmech.2026.119182

Primary Citation of related structures

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