7X6K
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3w
Summary for 7X6K
Entry DOI | 10.2210/pdb7x6k/pdb |
Descriptor | 3C-like proteinase, 1H-indole-2-carbaldehyde (3 entities in total) |
Functional Keywords | viral protein-inhibitor complex, viral protein/inhibitor |
Biological source | Severe acute respiratory syndrome coronavirus 2 |
Total number of polymer chains | 1 |
Total formula weight | 33970.71 |
Authors | |
Primary citation | Pillaiyar, T.,Flury, P.,Kruger, N.,Su, H.,Schakel, L.,Barbosa Da Silva, E.,Eppler, O.,Kronenberger, T.,Nie, T.,Luedtke, S.,Rocha, C.,Sylvester, K.,Petry, M.R.I.,McKerrow, J.H.,Poso, A.,Pohlmann, S.,Gutschow, M.,O'Donoghue, A.J.,Xu, Y.,Muller, C.E.,Laufer, S.A. Small-Molecule Thioesters as SARS-CoV-2 Main Protease Inhibitors: Enzyme Inhibition, Structure-Activity Relationships, Antiviral Activity, and X-ray Structure Determination. J.Med.Chem., 65:9376-9395, 2022 Cited by PubMed: 35709506DOI: 10.1021/acs.jmedchem.2c00636 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.34 Å) |
Structure validation
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