9E9P image
Deposition Date 2024-11-08
Release Date 2026-05-13
Last Version Date 2026-05-13
Entry Detail
PDB ID:
9E9P
Keywords:
HYDROLASE
Title:
Crystal structure of SARS-CoV-2 main protease (Mpro) in complex with covalent inhibitor A02
Biological Source:
Source Organism(s):
Severe acute respiratory syndrome coronavirus 2 (Taxon ID: 2697049)
Expression System(s):
Escherichia coli bl21(de3)
Method Details:
Experimental Method:
X-RAY DIFFRACTION
Resolution:
1.76 Å
R-Value Free:
0.21
R-Value Work:
0.17
Space Group:
C 1 2 1
9E9P validation report missing
Macromolecular Entities
Structures with similar UniProt ID
Protein Blast
Polymer Type:polypeptide(L)
Molecule:3C-like proteinase nsp5
Gene (Uniprot):rep
Chain IDs:A
Chain Length:308
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
A1BGG
Primary Citation
A Novel Covalent Inhibitor Fragment for the SARS-CoV-2 Main Protease Identified by Target-Specific Deep Learning.
Acs Chem.Biol. ? ? ? (2026)
PMID: 42066065 DOI: 10.1021/acschembio.6c00120
Primary Citation of related structures
9E9P
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