ISDA: 22DR

Deposition Date 2026-01-07

Release Date 2026-03-25

Last Version Date 2026-03-25

Entry Detail

PDB ID:

22DR

Keywords:

VIRAL PROTEIN

Title:

Crystal structure of SARS-CoV-2 3CL protease in complex with compound 7c

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:

1.90 Å

R-Value Free:

0.24

R-Value Work:

0.19

R-Value Observed:

0.20

Space Group:

P 1 21 1

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Macromolecular Entities

Structures with similar UniProt ID

Protein Blast

Polymer Type:polypeptide(L)
Molecule:3C-like proteinase
Chain IDs:A, B
Chain Length:308
Number of Molecules:2
Biological Source:Severe acute respiratory syndrome coronavirus 2

UniProt ID:P0DTC1 Pfam ID:PF05409

Ligand Molecules

A1MDL

EDO

Primary Citation

Optimization of pyridopyrimidinedione derivatives as non-covalent SARS-CoV-2 3CL protease inhibitors.

Taoda, Y, Hirai, K, Sugiyama, S, Tanaka, S, Tomida, Y, Akiyama, T, Nakahara, K, Unoh, Y, Tachibana, Y, Uehara, S, Sako, Y, Yamamoto, S, Kawashima, S, Nobori, H, Kato, T.Show

Bioorg.Med.Chem.Lett. 136 130619 130619 (2026)

PMID: 41819156 DOI: 10.1016/j.bmcl.2026.130619

Primary Citation of related structures

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