Structure of SARS-CoV-2 Main Protease bound to AZD6482.

Structure of SARS-CoV-2 Main Protease bound to AZD6482. Descriptor: 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, 3C-like proteinase, CALCIUM ION, ... Authors: Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. Deposit date: 2020-04-28 Release date: 2020-05-20 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.6 Å) Cite: X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021结合AZD6482的严重急性呼吸综合征冠状病毒2型（SARS-CoV-2）主蛋白酶（Main Protease）结构。配体描述：2-[[(1R)-1-(7-甲基-2-吗啉-4-基-4-氧代吡啶并[1,2-a]嘧啶-9-基)乙基]氨基]苯甲酸、类3C蛋白酶（3C-like proteinase）、钙离子（CALCIUM ION）等。作者：Guenther, S、Reinke, P、Oberthuer, D、Yefanov, O、Gelisio, L、Ginn, H、Lieske, J、Domaracky, M、Brehm, W、Rahmani Mashour, A、White, T.A、Knoska, J、Pena Esperanza, G、Koua, F、Tolstikova, A、Groessler, M、Fischer, P、Hennicke, V、Fleckenstein, H、Trost, F、Galchenkova, M、Gevorkov, Y、Li, C、Awel, S、Paulraj, L.X、Ullah, N、Falke, S、Alves Franca, B、Schwinzer, M、Brognaro, H、Werner, N、Perbandt, M、Tidow, H、Seychell, B、Beck, T、Meier, S、Doyle, J.J、Giseler, H、Melo, D、Dunkel, I、Lane, T.J、Peck, A、Saouane, S、Hakanpaeae, J、Meyer, J、Noei, H、Gribbon, P、Ellinger, B、Kuzikov, M、Wolf, M、Zhang, L、Ehrt, C、Pletzer-Zelgert, J、Wollenhaupt, J、Feiler, C、Weiss, M、Schulz, E.C、Mehrabi, P、Norton-Baker, B、Schmidt, C、Lorenzen, K、Schubert, R、Han, H、Chari, A、Fernandez Garcia, Y、Turk, D、Hilgenfeld, R、Rarey, M、Zaliani, A、Chapman, H.N、Pearson, A、Betzel, C、Meents, A。提交日期：2020年4月28日；发布日期：2020年5月20日；最后更新日期：2024年1月24日。实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.6埃（Å）。引用文献：《X射线筛选鉴定SARS-CoV-2主蛋白酶的活性位点与变构抑制剂》，《Science》，第372卷，2021年