7WO1

Discovery of SARS-CoV-2 3CLpro peptidomimetic inhibitors through H41-specific protein-ligand interactions

Summary for 7WO1

• Entry DOI: 10.2210/pdb7wo1/pdb
• Descriptor: 3C-like proteinase, N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide (3 entities in total)
• Functional Keywords: sars-cov-2 main protease, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 1
• Total formula weight: 34318.20

Authors

Wang, Y.,Ye, S. (deposition date: 2022-01-20, release date: 2022-04-13, Last modification date: 2023-11-29)

• Primary citation: Wang, Y.,Xu, B.,Ma, S.,Wang, H.,Shang, L.,Zhu, C.,Ye, S.; Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.; Int J Mol Sci, 23:-, 2022; PubMed: 35216507; DOI: 10.3390/ijms23042392

Experimental method

X-RAY DIFFRACTION (2.15 Å)