9EO6

SARS-CoV2 major protease in complex with a covalent inhibitor SLL11.

This is a non-PDB format compatible entry.

Summary for 9EO6

• Entry DOI: 10.2210/pdb9eo6/pdb
• Descriptor: 3C-like proteinase nsp5, ~{N}-[(2~{S})-3-cyclobutyl-1-[[(2~{R})-1-(1~{H}-indol-3-yl)-4-[[(2~{R})-1-(methylamino)-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]amino]-4-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-(iminomethyl)pyridine-4-carboxamide, POTASSIUM ION, ... (4 entities in total)
• Functional Keywords: inhibitor complex, antiviral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 6
• Total formula weight: 206969.23

Authors

Moche, M.,Lennerstrand, J.,Nyman, T.,Strandback, E.,Akaberi, D. (deposition date: 2024-03-14, release date: 2024-09-04)

• Primary citation: Akaberi, D.,Pourghasemi Lati, M.,Krambrich, J.,Berger, J.,Neilsen, G.,Strandback, E.,Turunen, S.P.,Wannberg, J.,Gullberg, H.,Moche, M.,Chinthakindi, P.K.,Nyman, T.,Sarafianos, S.G.,Sandstrom, A.,Jarhult, J.D.,Sandberg, K.,Lundkvist, A.,Verho, O.,Lennerstrand, J.; Identification of novel and potent inhibitors of SARS-CoV-2 main protease from DNA-encoded chemical libraries.; Antimicrob.Agents Chemother., :e0090924-e0090924, 2024; PubMed: 39194208; DOI: 10.1128/aac.00909-24

Experimental method

X-RAY DIFFRACTION (2.11 Å)