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PDB: 5 件

7PFL
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BU of 7pfl by Molmil
The SARS-CoV2 major protease (Mpro) apo structure to 1.8 A resolution
分子名称: Replicase polyprotein 1ab, SODIUM ION
著者Moche, M, Moodie, L, Strandback, E, Nyman, T, Akaberi, D, Lennerstrand, J.
登録日2021-08-11
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The SARS-CoV2 major protease (Mpro) in complex with a non-covalent inhibitory ligand at 2 A resolution
To Be Published
7PFM
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BU of 7pfm by Molmil
A SARS-CoV2 major protease non-covalent ligand structure determined to 2.0 A resolution
分子名称: N-[(1R)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide, Replicase polyprotein 1ab
著者Moche, M, Moodie, L, Strandback, E, Nyman, T, Sandstrom, A, Akaberi, D, Lennerstrand, J.
登録日2021-08-11
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The SARS-CoV2 major protease (Mpro) in complex with a non-covalent inhibitory ligand at 2 A resolution
To Be Published
9EOX
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BU of 9eox by Molmil
SARS-CoV2 major protease in covalent complex with a soluble inhibitor.
分子名称: (2~{S})-2-[[(3~{R})-3-[[(2~{R})-2-[(2-cyanopyridin-4-yl)carbonylamino]hexanoyl]amino]-4-(1~{H}-indol-3-yl)butanoyl]amino]-3-pyridin-4-yl-propanoic acid, 3C-like proteinase nsp5, POTASSIUM ION
著者Moche, M, Lennerstrand, J, Nyman, T, Strandback, E, Akaberi, D.
登録日2024-03-15
公開日2024-09-04
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Identification of novel and potent inhibitors of SARS-CoV-2 main protease from DNA-encoded chemical libraries.
Antimicrob.Agents Chemother., 2024
9EO6
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BU of 9eo6 by Molmil
SARS-CoV2 major protease in complex with a covalent inhibitor SLL11.
分子名称: 3C-like proteinase nsp5, POTASSIUM ION, ~{N}-[(2~{S})-3-cyclobutyl-1-[[(2~{R})-1-(1~{H}-indol-3-yl)-4-[[(2~{R})-1-(methylamino)-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]amino]-4-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-(iminomethyl)pyridine-4-carboxamide
著者Moche, M, Lennerstrand, J, Nyman, T, Strandback, E, Akaberi, D.
登録日2024-03-14
公開日2024-09-04
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Identification of novel and potent inhibitors of SARS-CoV-2 main protease from DNA-encoded chemical libraries.
Antimicrob.Agents Chemother., 2024
9EOR
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BU of 9eor by Molmil
SARS-CoV2 major protease in complex with a covalent inhibitor SLL12.
分子名称: 2-cyano-~{N}-[(2~{R})-1-[[(2~{S})-1-(1~{H}-indol-3-yl)-4-[[(2~{R})-1-(methylamino)-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]amino]-4-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]pyridine-4-carboxamide, 3C-like proteinase nsp5, POTASSIUM ION
著者Moche, M, Lennerstrand, J, Nyman, T, Strandback, E, Akaberi, D.
登録日2024-03-15
公開日2024-09-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Identification of novel and potent inhibitors of SARS-CoV-2 main protease from DNA-encoded chemical libraries.
Antimicrob.Agents Chemother., 2024

224572

件を2024-09-04に公開中

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