7Z0P
SARS-COV2 Main Protease in complex with inhibitor MG-131
This is a non-PDB format compatible entry.
Summary for 7Z0P
| Entry DOI | 10.2210/pdb7z0p/pdb |
| Descriptor | 3C-like proteinase nsp5, (1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, SODIUM ION, ... (4 entities in total) |
| Functional Keywords | inhibitor complex, sars-cov2, viral protein, sars-cov2 mpro |
| Biological source | Severe acute respiratory syndrome coronavirus 2 |
| Total number of polymer chains | 1 |
| Total formula weight | 34137.95 |
| Authors | El Kilani, H.,Hilgenfeld, R. (deposition date: 2022-02-23, release date: 2022-04-27, Last modification date: 2024-01-31) |
| Primary citation | Gohl, M.,Zhang, L.,El Kilani, H.,Sun, X.,Zhang, K.,Bronstrup, M.,Hilgenfeld, R. From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease. Molecules, 27:-, 2022 Cited by PubMed: 35807537DOI: 10.3390/molecules27134292 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.52 Å) |
Structure validation
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