8DIF: Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors

PDB ID: 8DIFDownload
MMDB ID: 232122
PDB Deposition Date: 2022/6/29
Updated in MMDB: 2023/10
Experimental Method:
x-ray diffraction
Resolution: 1.98  Å
Source Organism:
Similar Structures:
Biological Unit for 8DIF: dimeric; determined by author and by software (PISA)
Molecular Components in 8DIF
Label Count Molecule
Proteins (2 molecules)
2
3c-like Proteinase Nsp5
Molecule annotation
Chemicals and Non-standard biopolymers (2 molecules)
1
2
5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303