7UR9

SARS-Cov2 Main protease in complex with inhibitor CDD-1845

Summary for 7UR9

• Entry DOI: 10.2210/pdb7ur9/pdb
• Descriptor: 3C-like proteinase nsp5, (2P)-2-(isoquinolin-4-yl)-1-[4-(methylamino)-4-oxobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide (3 entities in total)
• Functional Keywords: sars-cov2, main protease, inhibitor, non-covalent, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 2
• Total formula weight: 68734.38

Authors

Lu, S.,Palzkill, T. (deposition date: 2022-04-21, release date: 2023-07-26, Last modification date: 2023-08-16)

• Primary citation: Jimmidi, R.,Chamakuri, S.,Lu, S.,Ucisik, M.N.,Chen, P.J.,Bohren, K.M.,Moghadasi, S.A.,Versteeg, L.,Nnabuife, C.,Li, J.Y.,Qin, X.,Chen, Y.C.,Faver, J.C.,Nyshadham, P.,Sharma, K.L.,Sankaran, B.,Judge, A.,Yu, Z.,Li, F.,Pollet, J.,Harris, R.S.,Matzuk, M.M.,Palzkill, T.,Young, D.W.; DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors.; Commun Chem, 6:164-164, 2023; PubMed: 37542196; DOI: 10.1038/s42004-023-00961-y

Experimental method

X-RAY DIFFRACTION (2.16 Å)