5R8T
PanDDA analysis group deposition of ground-state model of SARS-CoV-2 main protease screened against DSI poised (Enamine), Fraglites and Peplites (Newcastle university), Mini Frags (Astex), York 3D (York university), electrophile cysteine covalent (Weizman institute) fragment libraries
5R8T の概要
エントリーDOI | 10.2210/pdb5r8t/pdb |
Group deposition | PanDDA analysis group deposition of ground-state model of SARS-CoV-2 main protease fragment screening (G_1002144) |
分子名称 | 3C-like proteinase, DIMETHYL SULFOXIDE (3 entities in total) |
機能のキーワード | sgc - diamond i04-1 fragment screening, pandda, xchemexplorer, hydrolase |
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 | 34059.95 |
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: 2020-03-03, 公開日: 2020-04-01, 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 of ground-state model of SARS-CoV-2 main protease fragment screening To Be Published, |
実験手法 | X-RAY DIFFRACTION (1.27 Å) |
構造検証レポート
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