5SMM
PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework -- Crystal structure of SARS-CoV-2 main protease in complex with Z1633315555 (Mpro-IBM0058)
5SMM の概要
エントリーDOI | 10.2210/pdb5smm/pdb |
Group deposition | PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework (G_1002232) |
分子名称 | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[4-(3-fluorophenyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide, ... (4 entities in total) |
機能のキーワード | diamond i04-1, single sequence-guideddeep generative framework, pandda, hydrolase |
由来する生物種 | Severe acute respiratory syndrome coronavirus 2 |
タンパク質・核酸の鎖数 | 1 |
化学式量合計 | 34545.58 |
構造登録者 | Fearon, D.,Owen, C.D.,Lukacik, P.,Strain-Damerell, C.M.,von Delft, F. (登録日: 2022-04-20, 公開日: 2023-04-26, 最終更新日: 2024-05-22) |
主引用文献 | Fearon, D.,Owen, C.D.,Lukacik, P.,Strain-Damerell, C.M.,von Delft, F. PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework To Be Published, |
実験手法 | X-RAY DIFFRACTION (1.58 Å) |
構造検証レポート
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