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BU of 8hqh by Molmil

Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with inhibitor YH-53
Descriptor:	3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:	Zou, X.F, Zhang, J, Li, J.
Deposit date:	2022-12-13
Release date:	2023-12-20
Method:	X-RAY DIFFRACTION (1.58 Å)
Cite:	Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with inhibitor YH-53 To Be Published

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BU of 8hvl by Molmil

Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF07321332
Descriptor:	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:	Zou, X.F, Zhang, J, Li, J.
Deposit date:	2022-12-27
Release date:	2023-12-27
Method:	X-RAY DIFFRACTION (1.45 Å)
Cite:	Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF07321332 To Be Published

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BU of 8hvo by Molmil

Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF07321332
Descriptor:	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:	Zou, X.F, Zhang, J, Li, J.
Deposit date:	2022-12-27
Release date:	2023-12-27
Method:	X-RAY DIFFRACTION (1.65 Å)
Cite:	Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF07321332 To Be Published

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BU of 8j3a by Molmil

Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with PF00835231
Descriptor:	3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:	Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
Deposit date:	2023-04-16
Release date:	2024-04-17
Method:	X-RAY DIFFRACTION (1.91 Å)
Cite:	Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with PF00835231 To Be Published

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BU of 8j37 by Molmil

Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF00835231
Descriptor:	3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:	Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
Deposit date:	2023-04-16
Release date:	2024-04-17
Last modified:	2024-10-16
Method:	X-RAY DIFFRACTION (1.68 Å)
Cite:	Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF00835231 To Be Published

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BU of 8j35 by Molmil

Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF00835231
Descriptor:	3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:	Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
Deposit date:	2023-04-16
Release date:	2024-04-17
Method:	X-RAY DIFFRACTION (1.79 Å)
Cite:	Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF00835231 To Be Published

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BU of 8j32 by Molmil

Crystal structure of SARS-Cov-2 main protease in complex with PF00835231
Descriptor:	3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:	Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
Deposit date:	2023-04-16
Release date:	2024-04-17
Last modified:	2024-10-16
Method:	X-RAY DIFFRACTION (2.21 Å)
Cite:	Crystal structure of SARS-Cov-2 main protease in complex with PF00835231 To Be Published

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BU of 8j38 by Molmil

Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF00835231
Descriptor:	3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:	Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
Deposit date:	2023-04-16
Release date:	2024-04-17
Method:	X-RAY DIFFRACTION (1.72 Å)
Cite:	Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF00835231 To Be Published

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BU of 8j3b by Molmil

Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF00835231
Descriptor:	3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:	Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
Deposit date:	2023-04-16
Release date:	2024-04-17
Method:	X-RAY DIFFRACTION (1.64 Å)
Cite:	Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF00835231 To Be Published

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BU of 8j39 by Molmil

Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF00835231
Descriptor:	3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:	Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
Deposit date:	2023-04-16
Release date:	2024-04-17
Last modified:	2024-10-30
Method:	X-RAY DIFFRACTION (1.66 Å)
Cite:	Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF00835231 To Be Published

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BU of 8j34 by Molmil

Crystal structure of MERS main protease in complex with PF00835231
Descriptor:	N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, ORF1a
Authors:	Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
Deposit date:	2023-04-16
Release date:	2024-04-17
Method:	X-RAY DIFFRACTION (2.3 Å)
Cite:	Crystal structure of MERS main protease in complex with PF00835231 To Be Published

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BU of 8j36 by Molmil

Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF00835231
Descriptor:	3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:	Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
Deposit date:	2023-04-16
Release date:	2024-05-01
Last modified:	2024-10-16
Method:	X-RAY DIFFRACTION (2.21 Å)
Cite:	Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF00835231 To Be Published

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BU of 8wzq by Molmil

Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with CCF0058981
Descriptor:	2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide, 3C-like proteinase nsp5
Authors:	Zou, X.F, Jiang, H.H, Zhou, X.L, Zhang, J, Li, J.
Deposit date:	2023-11-02
Release date:	2024-04-17
Method:	X-RAY DIFFRACTION (1.66 Å)
Cite:	Crystal structure of SARS-CoV-2 main protease (M pro ) mutants in complex with the non-covalent inhibitor CCF0058981. Biochem.Biophys.Res.Commun., 692, 2024

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BU of 8hvz by Molmil

Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF07304814
Descriptor:	3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
Authors:	Zou, X.F, Zhang, J, Li, J.
Deposit date:	2022-12-28
Release date:	2024-01-17
Last modified:	2024-02-07
Method:	X-RAY DIFFRACTION (1.7 Å)
Cite:	Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814. Mol Biomed, 4, 2023

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BU of 8hvw by Molmil

Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF07304814
Descriptor:	3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
Authors:	Zou, X.F, Zhang, J, Li, J.
Deposit date:	2022-12-28
Release date:	2024-01-17
Last modified:	2024-02-07
Method:	X-RAY DIFFRACTION (2.05 Å)
Cite:	Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814. Mol Biomed, 4, 2023

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BU of 8ig9 by Molmil

Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with GC376
Descriptor:	3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:	Zou, X.F, Zhang, J, Li, J.
Deposit date:	2023-02-20
Release date:	2024-03-06
Last modified:	2024-10-09
Method:	X-RAY DIFFRACTION (1.68 Å)
Cite:	Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376. J.Mol.Biol., 436, 2024

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BU of 8y2t by Molmil

Crystal structure of 3C protease from coxsackievirus B3
Descriptor:	Protease 3C
Authors:	Jiang, H.H, Zou, X.F, Zhang, J, Li, J.
Deposit date:	2024-01-27
Release date:	2024-08-14
Method:	X-RAY DIFFRACTION (2.1 Å)
Cite:	Crystal structures of the 3C proteases from Coxsackievirus B3 and B4. Acta Crystallogr.,Sect.F, 80, 2024

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BU of 8wzp by Molmil

Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with CCF0058981
Descriptor:	2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide, 3C-like proteinase nsp5
Authors:	Jiang, H.H, Zou, X.F, Zhou, X.L, Zhang, J, Li, J.
Deposit date:	2023-11-02
Release date:	2024-04-17
Method:	X-RAY DIFFRACTION (1.76 Å)
Cite:	Crystal structure of SARS-CoV-2 main protease (M pro ) mutants in complex with the non-covalent inhibitor CCF0058981. Biochem.Biophys.Res.Commun., 692, 2024

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數據於2024-11-06公開中

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