7TZJ

SARS CoV-2 PLpro in complex with inhibitor 3k

7TZJ の概要

• エントリーDOI: 10.2210/pdb7tzj/pdb
• 分子名称: Papain-like protease, N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, ZINC ION, ... (5 entities in total)
• 機能のキーワード: sars cov-2, papain-like protease, 3k, covid19, inhibitor, complex, hydrolase/inhibitor, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 73381.32

構造登録者

Calleja, D.J.,Klemm, T.,Lechtenberg, B.C.,Kuchel, N.W.,Lessene, G.,Komander, D. (登録日: 2022-02-15, 公開日: 2022-03-02, 最終更新日: 2023-10-18)

• 主引用文献: Calleja, D.J.,Kuchel, N.,Lu, B.G.C.,Birkinshaw, R.W.,Klemm, T.,Doerflinger, M.,Cooney, J.P.,Mackiewicz, L.,Au, A.E.,Yap, Y.Q.,Blackmore, T.R.,Katneni, K.,Crighton, E.,Newman, J.,Jarman, K.E.,Call, M.J.,Lechtenberg, B.C.,Czabotar, P.E.,Pellegrini, M.,Charman, S.A.,Lowes, K.N.,Mitchell, J.P.,Nachbur, U.,Lessene, G.,Komander, D.; Insights Into Drug Repurposing, as Well as Specificity and Compound Properties of Piperidine-Based SARS-CoV-2 PLpro Inhibitors.; Front Chem, 10:861209-861209, 2022; PubMed: 35494659; DOI: 10.3389/fchem.2022.861209

実験手法

X-RAY DIFFRACTION (2.66 Å)