7LMI
SARS-CoV-1 3CLPro in complex with N-(4-(1H-pyrazol-4-yl)phenyl)-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide
This is a non-PDB format compatible entry.
Summary for 7LMI
Entry DOI | 10.2210/pdb7lmi/pdb |
Descriptor | 3C-like proteinase, GLYCEROL, 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide, ... (4 entities in total) |
Functional Keywords | 3clpro, sars-cov-1 main protease, inhibitor complex, protease, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor |
Biological source | Severe acute respiratory syndrome coronavirus (SARS-CoV) |
Total number of polymer chains | 1 |
Total formula weight | 34475.31 |
Authors | Arya, T.,Goins, C.M.,Macdonald, J.D.,Stauffer, S.R. (deposition date: 2021-02-05, release date: 2021-08-11, Last modification date: 2023-10-18) |
Primary citation | Han, S.H.,Goins, C.M.,Arya, T.,Shin, W.J.,Maw, J.,Hooper, A.,Sonawane, D.P.,Porter, M.R.,Bannister, B.E.,Crouch, R.D.,Lindsey, A.A.,Lakatos, G.,Martinez, S.R.,Alvarado, J.,Akers, W.S.,Wang, N.S.,Jung, J.U.,Macdonald, J.D.,Stauffer, S.R. Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ). J.Med.Chem., 65:2880-2904, 2022 Cited by PubMed: 34347470DOI: 10.1021/acs.jmedchem.1c00598 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.707 Å) |
Structure validation
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