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PDB: 54 件
8HZY
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The crystal structure of a Radical SAM Enzyme DesII
分子名称: DesII, IRON/SULFUR CLUSTER, METHIONINE
著者Hou, X.L, Zhou, J.H.
登録日2023-01-10
公開日2024-07-10
実験手法X-RAY DIFFRACTION (2.039788 Å)
主引用文献Mechanistic Insights from the Crystal Structure and Computational Analysis of the Radical SAM Deaminase DesII.
Adv Sci, 2024
8HZV
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The crystal structure of a Radical SAM Enzyme DesII
分子名称: GLYCEROL, IRON/SULFUR CLUSTER, METHIONINE, ...
著者Hou, X.L, Zhou, J.H.
登録日2023-01-09
公開日2024-07-10
実験手法X-RAY DIFFRACTION (2.33001685 Å)
主引用文献Mechanistic Insights from the Crystal Structure and Computational Analysis of the Radical SAM Deaminase DesII.
Adv Sci, 2024
8HUR
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Crystal structure of SARS-Cov-2 main protease in complex with S217622
分子名称: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
著者Zhou, X.L, Zhang, J, Li, J.
登録日2022-12-24
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
7VOC
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The crystal structure of a Radical SAM Enzyme BlsE involved in the Biosynthesis of Blasticidin S
分子名称: (2~{S},3~{S},4~{S},5~{R},6~{R})-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid, Cytosylglucuronate decarboxylase, GLYCEROL, ...
著者Hou, X.L, Zhou, J.H.
登録日2021-10-13
公開日2022-05-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.62005424 Å)
主引用文献Radical S -Adenosyl Methionine Enzyme BlsE Catalyzes a Radical-Mediated 1,2-Diol Dehydration during the Biosynthesis of Blasticidin S.
J.Am.Chem.Soc., 144, 2022
7VOB
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The crystal structure of a Radical SAM Enzyme BlsE involved in the Biosynthesis of Blasticidin S
分子名称: CHLORIDE ION, Cytosylglucuronate decarboxylase, GLYCEROL, ...
著者Hou, X.L, Zhou, J.H.
登録日2021-10-13
公開日2022-05-04
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.092241 Å)
主引用文献Radical S -Adenosyl Methionine Enzyme BlsE Catalyzes a Radical-Mediated 1,2-Diol Dehydration during the Biosynthesis of Blasticidin S.
J.Am.Chem.Soc., 144, 2022
7WZX
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The structure of a Twitch Radical SAM Dehydrogenase SpeY
分子名称: (2~{S},4~{S},6~{R})-2-[(2~{S},3~{R},5~{S},6~{R})-3,5-bis(methylamino)-2,4,6-tris(oxidanyl)cyclohexyl]oxy-6-methyl-4-oxidanyl-oxan-3-one, 4Fe-4S cluster-binding domain-containing protein, GLYCEROL, ...
著者Hou, X.L, Zhou, J.H.
登録日2022-02-19
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.980013 Å)
主引用文献Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
J.Am.Chem.Soc., 144, 2022
7X0B
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The structure of a Twitch Radical SAM Dehydrogenase SpeY
分子名称: 4Fe-4S cluster-binding domain-containing protein, CHLORIDE ION, GLYCEROL, ...
著者Hou, X.L, Zhou, J.H.
登録日2022-02-21
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.02027535 Å)
主引用文献Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
J.Am.Chem.Soc., 144, 2022
7C2Y
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The crystal structure of COVID-2019 main protease in the apo state
分子名称: 3C-like proteinase
著者Zhou, X.L, Zhong, F.L, Lin, C, Zhou, H, Hu, X.H, Wang, Q.S, Li, J, Zhang, J.
登録日2020-05-10
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献COVID-2019 main protease in the apo state
To Be Published
7C2Q
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The crystal structure of COVID-19 main protease in the apo state
分子名称: 3C-like proteinase
著者Zhou, X.L, Zhong, F.L, Lin, C, Hu, X.H, Zhou, H, Wang, Q.S, Li, j, Zhang, J.
登録日2020-05-08
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure of SARS-CoV-2 main protease in the apo state.
Sci China Life Sci, 64, 2021
7CA8
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The crystal structure of COVID-19 main protease in complex with an inhibitor Shikonin
分子名称: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
著者Zhou, X.L, Zhong, F.L, Lin, C, Li, J, Zhang, J.
登録日2020-06-08
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of SARS-CoV-2 main protease in complex with the natural product inhibitor shikonin illuminates a unique binding mode.
Sci Bull (Beijing), 66, 2021
8HQJ
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Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with inhibitor YH-53
分子名称: 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
著者Zhou, X.L, Zhang, J, Li, J.
登録日2022-12-13
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with inhibitor YH-53
To Be Published
7F42
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PARP15 catalytic domain in complex with Iniparib
分子名称: 4-iodo-3-nitrobenzamide, Protein mono-ADP-ribosyltransferase PARP15
著者Zhou, X.L, Zhou, H, Li, J, Zhang, J.
登録日2021-06-17
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献PARP15 catalytic domain in complex with Iniparib
To Be Published
7F43
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PARP15 catalytic domain in complex with Niraparib
分子名称: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, Protein mono-ADP-ribosyltransferase PARP15
著者Zhou, X.L, Zhou, H, Li, J, Zhang, J.
登録日2021-06-17
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献PARP15 catalytic domain in complex with Niraparib
To Be Published
7F41
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PARP15 catalytic domain in complex with 3-AMINOBENZAMIDE
分子名称: 3-aminobenzamide, Protein mono-ADP-ribosyltransferase PARP15
著者Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
登録日2021-06-17
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.39721382 Å)
主引用文献PARP15 catalytic domain in complex with 3-AMINOBENZAMIDE
To Be Published
8J3B
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BU of 8j3b by Molmil
Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF00835231
分子名称: 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
著者Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
登録日2023-04-16
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF00835231
To Be Published
8J38
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Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF00835231
分子名称: 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
著者Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
登録日2023-04-16
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF00835231
To Be Published
8J34
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Crystal structure of MERS main protease in complex with PF00835231
分子名称: 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
著者Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
登録日2023-04-16
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of MERS main protease in complex with PF00835231
To Be Published
8J3A
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BU of 8j3a by Molmil
Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with PF00835231
分子名称: 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
著者Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
登録日2023-04-16
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with PF00835231
To Be Published
8J35
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Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF00835231
分子名称: 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
著者Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
登録日2023-04-16
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF00835231
To Be Published
8J32
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Crystal structure of SARS-Cov-2 main protease in complex with PF00835231
分子名称: 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
著者Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
登録日2023-04-16
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease in complex with PF00835231
To Be Published
8J36
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Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF00835231
分子名称: 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
著者Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
登録日2023-04-16
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF00835231
To Be Published
8J37
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Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF00835231
分子名称: 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
著者Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
登録日2023-04-16
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF00835231
To Be Published
8J39
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Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF00835231
分子名称: 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
著者Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
登録日2023-04-16
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF00835231
To Be Published
8HVX
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Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with PF07304814
分子名称: 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
著者Zhou, X.L, Zhang, J, Li, J.
登録日2022-12-28
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
8IG4
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Crystal structure of SARS-Cov-2 main protease in complex with GC376
分子名称: Non-structural protein 11, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Zhou, X.L, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024

 

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