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5SMN

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 Z1365651030 (Mpro-IBM0078)

5SMN の概要
エントリーDOI10.2210/pdb5smn/pdb
Group depositionPanDDA 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-(1-cyanocyclopropyl)-1-(3-methylpyridin-4-yl)piperidine-4-carboxamide, ... (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34344.30
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 (1.36 Å)
構造検証レポート
Validation report summary of 5smn
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2024-08-28に公開中

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