5RGU
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444622180 (Mpro-x2562)
5RGU の概要
エントリーDOI | 10.2210/pdb5rgu/pdb |
Group deposition | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen (G_1002155) |
分子名称 | 3C-like proteinase, N-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide, DIMETHYL SULFOXIDE, ... (4 entities in total) |
機能のキーワード | sgc - diamond i04-1 fragment screening, pandda, xchemexplorer, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
由来する生物種 | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) |
タンパク質・核酸の鎖数 | 1 |
化学式量合計 | 34436.38 |
構造登録者 | Fearon, D.,Owen, C.D.,Douangamath, A.,Lukacik, P.,Powell, A.J.,Strain-Damerell, C.M.,Resnick, E.,Krojer, T.,Gehrtz, P.,Wild, C.,Aimon, A.,Brandao-Neto, J.,Carbery, A.,Dunnett, L.,Skyner, R.,Snee, M.,London, N.,Walsh, M.A.,von Delft, F. (登録日: 2020-05-15, 公開日: 2020-05-27, 最終更新日: 2024-03-06) |
主引用文献 | Fearon, D.,Owen, C.D.,Douangamath, A.,Lukacik, P.,Powell, A.J.,Strain-Damerell, C.M.,Resnick, E.,Krojer, T.,Gehrtz, P.,Wild, C.,Aimon, A.,Brandao-Neto, J.,Carbery, A.,Dunnett, L.,Skyner, R.,Snee, M.,London, N.,Walsh, M.A.,von Delft, F. PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen To Be Published, |
実験手法 | X-RAY DIFFRACTION (2.108 Å) |
構造検証レポート
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