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5RH8

PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444621965 (Mpro-x2764)

5RH8 の概要
エントリーDOI10.2210/pdb5rh8/pdb
Group depositionPanDDA analysis group deposition SARS-CoV-2 main protease fragment screen (G_1002155)
分子名称3C-like proteinase, DIMETHYL SULFOXIDE, 2-(cyanomethoxy)-N-[(1,2-thiazol-4-yl)methyl]benzamide, ... (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34411.39
構造登録者
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 (1.81 Å)
構造検証レポート
Validation report summary of 5rh8
検証レポート(詳細版)ダウンロードをダウンロード

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件を2024-03-27に公開中

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