7E19

Crystal structure of SAR-CoV-2 3CL protease complex with inhibitor SH-5

Summary for 7E19

• Entry DOI: 10.2210/pdb7e19/pdb
• Descriptor: 3C-like proteinase, (phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate (3 entities in total)
• Functional Keywords: sars-cov-2 3cl protease, hydrolase
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)
• Total number of polymer chains: 1
• Total formula weight: 34461.32

Authors

Senda, M.,Konno, S.,Hayashi, Y.,Senda, T. (deposition date: 2021-02-01, release date: 2021-06-23, Last modification date: 2023-11-29)

• Primary citation: Konno, S.,Kobayashi, K.,Senda, M.,Funai, Y.,Seki, Y.,Tamai, I.,Schakel, L.,Sakata, K.,Pillaiyar, T.,Taguchi, A.,Taniguchi, A.,Gutschow, M.,Muller, C.E.,Takeuchi, K.,Hirohama, M.,Kawaguchi, A.,Kojima, M.,Senda, T.,Shirasaka, Y.,Kamitani, W.,Hayashi, Y.; 3CL Protease Inhibitors with an Electrophilic Arylketone Moiety as Anti-SARS-CoV-2 Agents.; J.Med.Chem., 65:2926-2939, 2022; PubMed: 34313428; DOI: 10.1021/acs.jmedchem.1c00665

Experimental method

X-RAY DIFFRACTION (2.15 Å)