7B2U

Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 1

Summary for 7B2U

• Entry DOI: 10.2210/pdb7b2u/pdb
• Descriptor: 3C-like proteinase nsp5, (5S)-5-(cyclohexylmethyl)-3-(5-fluoropyridin-3-yl)imidazolidine-2,4-dione, DIMETHYL SULFOXIDE, ... (4 entities in total)
• Functional Keywords: inhibitor, complex, protease, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 2
• Total formula weight: 68936.93

Authors

Talibov, V.O. (deposition date: 2020-11-27, release date: 2022-02-23, Last modification date: 2024-01-31)

• Primary citation: Luttens, A.,Gullberg, H.,Abdurakhmanov, E.,Vo, D.D.,Akaberi, D.,Talibov, V.O.,Nekhotiaeva, N.,Vangeel, L.,De Jonghe, S.,Jochmans, D.,Krambrich, J.,Tas, A.,Lundgren, B.,Gravenfors, Y.,Craig, A.J.,Atilaw, Y.,Sandstrom, A.,Moodie, L.W.K.,Lundkvist, A.,van Hemert, M.J.,Neyts, J.,Lennerstrand, J.,Kihlberg, J.,Sandberg, K.,Danielson, U.H.,Carlsson, J.; Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.; J.Am.Chem.Soc., 144:2905-2920, 2022; PubMed: 35142215; DOI: 10.1021/jacs.1c08402

Experimental method

X-RAY DIFFRACTION (1.55 Å)