9NMF image
Deposition Date 2025-03-04
Release Date 2026-03-18
Last Version Date 2026-03-18
Entry Detail
PDB ID:
9NMF
Keywords:
VIRAL PROTEIN,TRANSFERASE/TRANSFERASE INHIBITOR
Title:
SARS-CoV-2 3CLPro in complex with 8-(6-amino-3-pyridyl)-2-hydroxy-3-(4-isoquinolyl)-6-(trifluoromethyl)-1H-quinolin-4-one
Biological Source:
Source Organism(s):
Severe acute respiratory syndrome coronavirus 2 (Taxon ID: 2697049)
Expression System(s):
Escherichia coli bl21
Method Details:
Experimental Method:
X-RAY DIFFRACTION
Resolution:
1.80 Å
R-Value Free:
0.22
R-Value Work:
0.18
R-Value Observed:
0.18
Space Group:
P 21 21 21
9NMF validation report
Macromolecular Entities
Protein Blast
Polymer Type:polypeptide(L)
Molecule:Glutathione S-transferase cla
Gene (Uniprot):rep
Chain IDs:A, B
Chain Length:549
Number of Molecules:2
Biological Source:Severe acute respiratory syndrome coronavirus 2
UniProt ID:P08515,P0DTD1 Pfam ID:PF05409 EC:2.5.1.18
Ligand Molecules
A1BY4
Primary Citation
Structure Based Design of non-covalent, non-peptidic inhibitors of SARS-CoV-2 Main Protease
To Be Published ? ? ? (?)
Primary Citation of related structures
9NMF
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