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Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1

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Protein Data Bank Japan2024-10-23 更新2026-03-28 收录
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Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1 Descriptor: (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase Authors: Kovalevsky, A, Kneller, D.W, Coates, L. Deposit date: 2022-01-03 Release date: 2022-03-02 Last modified: 2024-10-23 Method: NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION Cite: Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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2022-01-03
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