Structure of SARS-CoV-2 Main Protease bound to AT7519

Structure of SARS-CoV-2 Main Protease bound to AT7519 Descriptor: 3C-like proteinase, 4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide, CHLORIDE 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, Andaleeb, H, Werner, N, Falke, S, Hinrichs, W, Alves Franca, B, Schwinzer, M, Brognaro, H, 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, Boger, J, 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: 2020-09-22 Release date: 2020-12-02 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.68 Å) Cite: X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021

与AT7519结合的严重急性呼吸综合征冠状病毒2型（SARS-CoV-2）主蛋白酶结构 描述项：3C样蛋白酶（3C-like proteinase）、4-{[(2,6-二氯苯基)羰基]氨基}-N-哌啶-4-基-1H-吡唑-3-甲酰胺、氯离子（CHLORIDE ION）…… 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、Andaleeb, H、Werner, N、Falke, S、Hinrichs, W、Alves Franca, B、Schwinzer, M、Brognaro, H、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、Boger, J、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。 存放日期：2020-09-22 发布日期：2020-12-02 最后修改日期：2024-01-31 实验方法：X射线衍射（分辨率1.68埃） 引用文献：X射线筛选发现严重急性呼吸综合征冠状病毒2型主蛋白酶的活性位点与变构抑制剂。《科学》，372卷，2021年