5R7Y

PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z45617795

5R7Y の概要

• エントリーDOI: 10.2210/pdb5r7y/pdb
• Group deposition: PanDDA analysis group deposition (G_1002135)
• 分子名称: 3C-like proteinase, N-(2-phenylethyl)methanesulfonamide, DIMETHYL SULFOXIDE, ... (5 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: 34372.80

構造登録者

Fearon, D.,Powell, A.J.,Douangamath, A.,Owen, C.D.,Wild, C.,Krojer, T.,Lukacik, P.,Strain-Damerell, C.M.,Walsh, M.A.,von Delft, F. (登録日: 2020-03-03, 公開日: 2020-03-11, 最終更新日: 2024-03-06)

• 主引用文献: Douangamath, A.,Fearon, D.,Gehrtz, P.,Krojer, T.,Lukacik, P.,Owen, C.D.,Resnick, E.,Strain-Damerell, C.,Aimon, A.,Abranyi-Balogh, P.,Brandao-Neto, J.,Carbery, A.,Davison, G.,Dias, A.,Downes, T.D.,Dunnett, L.,Fairhead, M.,Firth, J.D.,Jones, S.P.,Keeley, A.,Keseru, G.M.,Klein, H.F.,Martin, M.P.,Noble, M.E.M.,O'Brien, P.,Powell, A.,Reddi, R.N.,Skyner, R.,Snee, M.,Waring, M.J.,Wild, C.,London, N.,von Delft, F.,Walsh, M.A.; Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.; Nat Commun, 11:5047-5047, 2020; PubMed: 33028810; DOI: 10.1038/s41467-020-18709-w

実験手法

X-RAY DIFFRACTION (1.65 Å)