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PDB: 437 件

5WS0
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Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor
分子名称: 2-piperazin-1-ylcarbonyl-1H-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1
著者Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L.
登録日2016-12-04
公開日2017-01-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor
To Be Published
5WRQ
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Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
分子名称: 5-[[2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-2-fluoranyl-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]benzamide, Poly [ADP-ribose] polymerase 1
著者Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L.
登録日2016-12-03
公開日2017-01-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
5WS1
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Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor
分子名称: 2-[(3R)-3-azanylpyrrolidin-1-yl]carbonyl-1H-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1
著者Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L.
登録日2016-12-04
公開日2017-01-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor
To Be Published
5WTC
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Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
分子名称: 1-[[4-fluoranyl-3-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1
著者Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L.
登録日2016-12-11
公開日2017-01-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
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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BU of 7x0b by Molmil
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
8JN0
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N/F domain of alkaline amylase Amy703
分子名称: Alpha-amylase
著者Xiang, L, Zhang, G, Zhou, J.
登録日2023-06-05
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.22826374 Å)
主引用文献Truncation of N-terminus domain of alkaline a-amylase to form a unique dimer leads to improved activity and stability and decreased calcium ion dependence
To Be Published
5GKW
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crystal structure of SZ529 complex with (R,R)-cyclopentanediol
分子名称: (1~{R},2~{R})-cyclopentane-1,2-diol, Limonene-1,2-epoxide hydrolase
著者Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H.
登録日2016-07-07
公開日2017-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献crystal structure of SZ529 complex with (R,R)-cyclopentanediol
To Be Published
8JLV
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Beneficial flip of substrate orientation enable determine substrate specificity for zearalenone lactone hydrolase
分子名称: AB hydrolase-1 domain-containing protein
著者Xiang, L, Wang, M, Zhang, G, Zhou, J.
登録日2023-06-02
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.998636 Å)
主引用文献Enhancing the activity of zearalenone lactone hydrolase toward the more toxic alpha-zearalanol via a single-point mutation.
Appl.Environ.Microbiol., 90, 2024
5YM0
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The crystal structure of DHAD
分子名称: Dihydroxy-acid dehydratase, chloroplastic, SULFATE ION
著者Zang, X, Huang, W.X, Cheng, R, Wu, L, Zhou, J.H, Tang, Y, Yan, Y.
登録日2017-10-20
公開日2018-10-24
実験手法X-RAY DIFFRACTION (1.842 Å)
主引用文献The crystal structure of DHAD
To Be Published
7W5K
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The C296A mutant of L-sorbosone dehydrogenase (SNDH) from Gluconobacter Oxydans WSH-004
分子名称: L-sorbosone dehydrogenase, NAD(P) dependent, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, D, Hou, X.D, Rao, Y.J, Zhou, J.W, Chen, J.
登録日2021-11-30
公開日2023-03-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structural Insight into the Catalytic Mechanisms of an L-Sorbosone Dehydrogenase.
Adv Sci, 10, 2023
8HE7
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ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
分子名称: 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1, processed C-terminus, ...
著者Wang, X.Y, Zhou, J, Xu, B.L.
登録日2022-11-07
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of Quinazoline-2,4(1 H ,3 H )-dione Derivatives Containing a Piperizinone Moiety as Potent PARP-1/2 Inhibitors─Design, Synthesis, In Vivo Antitumor Activity, and X-ray Crystal Structure Analysis.
J.Med.Chem., 66, 2023
8HE8
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Human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
分子名称: 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione, GLYCEROL, Poly [ADP-ribose] polymerase 2
著者Wang, X.Y, Xu, B.L, Zhou, J.
登録日2022-11-07
公開日2023-11-08
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Discovery of Quinazoline-2,4(1 H ,3 H )-dione Derivatives Containing a Piperizinone Moiety as Potent PARP-1/2 Inhibitors─Design, Synthesis, In Vivo Antitumor Activity, and X-ray Crystal Structure Analysis.
J.Med.Chem., 66, 2023
7VDO
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BU of 7vdo by Molmil
Crystal structure of KRED F147L/L153Q/Y190P variant
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, ...
著者Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J.
登録日2021-09-07
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85571563 Å)
主引用文献Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
7VE7
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Crystal structure of KRED mutant-F147L/L153Q/Y190P/L199A/M205F/M206F
分子名称: 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J.
登録日2021-09-08
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.720007 Å)
主引用文献Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
5H2T
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BU of 5h2t by Molmil
Structure of trehalose synthase
分子名称: Trehalose synthase
著者Wang, D, Huang, H, Zhou, J, Jiang, L.
登録日2016-10-18
公開日2017-10-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.796 Å)
主引用文献Structure of trehalose synthase
To Be Published
5GCN
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BU of 5gcn by Molmil
CATALYTIC DOMAIN OF TETRAHYMENA GCN5 HISTONE ACETYLTRANSFERASE IN COMPLEX WITH COENZYME A
分子名称: COENZYME A, HISTONE ACETYLTRANSFERASE GCN5
著者Lin, Y, Fletcher, C.M, Zhou, J, Allis, C.D, Wagner, G.
登録日1999-03-24
公開日1999-07-19
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the catalytic domain of GCN5 histone acetyltransferase bound to coenzyme A
Nature, 400, 1999
4MYD
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1.37 Angstrom Crystal Structure of E. Coli 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase (MenH) in complex with SHCHC
分子名称: 2-(3-CARBOXYPROPIONYL)-6-HYDROXY-CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID, 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase
著者Sun, Y, Yin, S, Feng, Y, Li, J, Zhou, J, Liu, C, Zhu, G, Guo, Z.
登録日2013-09-27
公開日2014-04-23
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.374 Å)
主引用文献Molecular basis of the general base catalysis of an alpha / beta-hydrolase catalytic triad.
J.Biol.Chem., 289, 2014
4MXD
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1.45 angstronm crystal structure of E.coli 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase (MenH)
分子名称: 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Sun, Y, Yin, S, Feng, Y, Li, J, Zhou, J, Liu, C, Zhu, G, Guo, Z.
登録日2013-09-26
公開日2014-04-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Molecular basis of the general base catalysis of an alpha / beta-hydrolase catalytic triad.
J.Biol.Chem., 289, 2014
5CF2
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Crystal Structure of the I80Y/L114V/I116V mutant of LEH
分子名称: Limonene-1,2-epoxide hydrolase
著者Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H.
登録日2015-07-08
公開日2016-07-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of the I80Y/L114V/I116V mutant of LEH
To Be Published
5Z6P
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BU of 5z6p by Molmil
The crystal structure of an agarase, AgWH50C
分子名称: B-agarase
著者Mao, X, Zhou, J, Zhang, P, Zhang, L, Zhang, J, Li, Y.
登録日2018-01-24
公開日2019-01-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.061 Å)
主引用文献Structure-based design of agarase AgWH50C from Agarivorans gilvus WH0801 to enhance thermostability.
Appl. Microbiol. Biotechnol., 103, 2019
7VYO
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The structure of GdmN
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
登録日2021-11-14
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
7FCC
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IL-1RAcPb TIR domain
分子名称: Isoform 4 of Interleukin-1 receptor accessory protein
著者Wang, X, Zhou, J.
登録日2021-07-14
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.144 Å)
主引用文献Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling
Iscience, 25, 2022
7FCJ
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Zebrafish SIGIRR TIR domain mutant - C299S
分子名称: SIGIRR protein
著者Wang, X, Zhou, J.
登録日2021-07-15
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling
Iscience, 25, 2022
7FCH
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IL-18Rbeta TIR domain
分子名称: Interleukin-18 receptor accessory protein
著者Wang, X, Zhou, J.
登録日2021-07-14
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.883 Å)
主引用文献Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling
Iscience, 25, 2022

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件を2024-09-25に公開中

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