7GNL: Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with NIR-WEI-dcc3321b-1 (Mpro-P2757)

PDB ID: 7GNLDownload
MMDB ID: 238136
PDB Deposition Date: 2023/8/11
Updated in MMDB: 2023/12
Experimental Method:
x-ray diffraction
Resolution: 1.681  Å
Source Organism:
Similar Structures:
Biological Unit for 7GNL: dimeric; determined by author and by software (PISA)
Molecular Components in 7GNL
Label Count Molecule
Proteins (2 molecules)
2
3c-like Proteinase
Molecule annotation
Chemicals and Non-standard biopolymers (14 molecules)
1
11
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
2
1
CHLORIDE IONCHLORIDE ION
3
2
(4S)-6-chloro-2-{2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide(4S)-6-chloro-2-{2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
* 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