8OKC

SARS-CoV2 NSP5 in complex with a GC-376 based peptidomimetic PROTAC

Summary for 8OKC

• Entry DOI: 10.2210/pdb8okc/pdb
• Related: 7nwx 7nxh 8b0s 8b0t
• Descriptor: 3C-like proteinase nsp5, (phenylmethyl) ~{N}-[(2~{R})-1-[[(~{Z},2~{S})-5-[4-[[1-[2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]-6-fluoranyl-1,3-bis(oxidanylidene)isoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-5-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]pent-3-en-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate (3 entities in total)
• Functional Keywords: nsp5, sars-cov2, 3clpro, protac, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 1
• Total formula weight: 34710.54

Authors

Calderone, V. (deposition date: 2023-03-28, release date: 2024-01-17, Last modification date: 2024-02-28)

• Primary citation: Grifagni, D.,Lenci, E.,De Santis, A.,Orsetti, A.,Barracchia, C.G.,Tedesco, F.,Bellini Puglielli, R.,Lucarelli, F.,Lauriola, A.,Assfalg, M.,Cantini, F.,Calderone, V.,Guardavaccaro, D.,Trabocchi, A.,D'Onofrio, M.,Ciofi-Baffoni, S.; Development of a GC-376 Based Peptidomimetic PROTAC as a Degrader of 3-Chymotrypsin-like Protease of SARS-CoV-2.; Acs Med.Chem.Lett., 15:250-257, 2024; PubMed: 38352832; DOI: 10.1021/acsmedchemlett.3c00498

Experimental method

X-RAY DIFFRACTION (2 Å)