8V4U

Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor

8V4U の概要

• エントリーDOI: 10.2210/pdb8v4u/pdb
• 分子名称: 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide (3 entities in total)
• 機能のキーワード: protease sars-cov-2 covalent complex inhibitor, hydrolase-inhibitor complex, viral protein
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 68634.10

構造登録者

Greasley, S.E.,Ferre, R.A.,Liu, W. (登録日: 2023-11-29, 公開日: 2024-05-15)

• 主引用文献: Allerton, C.M.N.,Arcari, J.T.,Aschenbrenner, L.M.,Avery, M.,Bechle, B.M.,Behzadi, M.A.,Boras, B.,Buzon, L.M.,Cardin, R.D.,Catlin, N.R.,Carlo, A.A.,Coffman, K.J.,Dantonio, A.,Di, L.,Eng, H.,Farley, K.A.,Ferre, R.A.,Gernhardt, S.S.,Gibson, S.A.,Greasley, S.E.,Greenfield, S.R.,Hurst, B.L.,Kalgutkar, A.S.,Kimoto, E.,Lanyon, L.F.,Lovett, G.H.,Lian, Y.,Liu, W.,Martinez Alsina, L.A.,Noell, S.,Obach, R.S.,Owen, D.R.,Patel, N.C.,Rai, D.K.,Reese, M.R.,Rothan, H.A.,Sakata, S.,Sammons, M.F.,Sathish, J.G.,Sharma, R.,Steppan, C.M.,Tuttle, J.B.,Verhoest, P.R.,Wei, L.,Yang, Q.,Yurgelonis, I.,Zhu, Y.; A Second-Generation Oral SARS-CoV-2 Main Protease Inhibitor Clinical Candidate for the Treatment of COVID-19.; J.Med.Chem., 2024; PubMed: 38687966; DOI: 10.1021/acs.jmedchem.3c02469

実験手法