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PDB: 160 件
5YY7
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Crystal structure of Arabidopsis thaliana HPPD complexed with Benquitrione
分子名称: 3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Yang, W.C, Chen, J.N, Yang, G.F.
登録日2017-12-08
公開日2019-01-16
実験手法X-RAY DIFFRACTION (3.298 Å)
主引用文献Crystal structure of Arabidopsis thaliana HPPD complexed with Benquitrione (Y13161)
To be published
1YM4
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BU of 1ym4 by Molmil
Crystal structure of human beta secretase complexed with NVP-AMK640
分子名称: Beta-secretase 1, NVP-AMK640 INHIBITOR
著者Hanessian, S, Yun, H, Hou, Y, Yang, G, Bayrakdarian, M, Therrien, E, Moitessier, N, Roggo, S, Veenstra, S.
登録日2005-01-20
公開日2006-01-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics
J.Med.Chem., 48, 2005
1YM2
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BU of 1ym2 by Molmil
Crystal structure of human beta secretase complexed with NVP-AUR200
分子名称: Beta-secretase 1, NVP-AUR200 INHIBITOR
著者Hanessian, S, Yun, H, Hou, Y, Yang, G, Bayrakdarian, M, Therrien, E, Moitessier, N, Roggo, S, Veenstra, S.
登録日2005-01-20
公開日2006-01-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics
J.Med.Chem., 48, 2005
8IOG
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BU of 8iog by Molmil
Cryo-EM structure of porcine bc1 complex in isolated state
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, Complex III subunit 9, ...
著者Wang, Y.X, Dong, J.Q, Yang, G.F.
登録日2023-03-11
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Cryo-EM structure of porcine bc1 complex in isolated state
To Be Published
6LFC
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BU of 6lfc by Molmil
E. coli Thioesterase I mutant DG
分子名称: Acyl-CoA thioesterase I also functions as protease I
著者Deng, X, Chen, L, Yang, G.
登録日2019-12-01
公開日2020-07-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-guided reshaping of the acyl binding pocket of 'TesA thioesterase enhances octanoic acid production in E. coli.
Metab. Eng., 61, 2020
6IYC
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BU of 6iyc by Molmil
Recognition of the Amyloid Precursor Protein by Human gamma-secretase
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhou, R, Yang, G, Guo, X, Zhou, Q, Lei, J, Shi, Y.
登録日2018-12-14
公開日2019-01-23
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Recognition of the amyloid precursor protein by human gamma-secretase.
Science, 363, 2019
6C2C
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BU of 6c2c by Molmil
The molecular basis for the functional evolution of an organophosphate hydrolysing enzyme
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ZINC ION, ...
著者Hong, N.-S, Jackson, C.J, Carr, P.D, Tokuriki, N, Baier, F, Yang, G.
登録日2018-01-08
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.597 Å)
主引用文献Higher-order epistasis shapes the fitness landscape of a xenobiotic-degrading enzyme.
Nat.Chem.Biol., 15, 2019
5ZOI
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BU of 5zoi by Molmil
Crystal Structure of alpha1,3-Fucosyltransferase
分子名称: Alpha-(1,3)-fucosyltransferase FucT, [[(2S,3R,4S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
著者Tan, Y, Yang, G.
登録日2018-04-13
公開日2019-06-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Directed evolution of an alpha 1,3-fucosyltransferase using a single-cell ultrahigh-throughput screening method.
Sci Adv, 5, 2019
6JX9
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BU of 6jx9 by Molmil
Structure of Y17107 complexed HPPD
分子名称: 4-hydroxyphenylpyruvate dioxygenase, 5-[(~{Z})-(1,3-dimethyl-5-oxidanylidene-pyrazol-4-ylidene)-oxidanyl-methyl]-2-(phenylmethyl)isoindole-1,3-dione, COBALT (II) ION
著者Lin, H.Y, Yang, G.F.
登録日2019-04-22
公開日2020-03-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Pyrazole-Isoindoline-1,3-dione Hybrid: A Promising Scaffold for 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors.
J.Agric.Food Chem., 67, 2019
7X7L
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BU of 7x7l by Molmil
Crystal structure of ZmHPPD-Y13161 complex
分子名称: 3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Lin, H.-Y, Dong, J, Yang, G.-F.
登録日2022-03-09
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.887 Å)
主引用文献Structural insights of 4-Hydrophenylpyruvate dioxygenase inhibition by structurally diverse small molecules
Adv Agrochem, 2022
7X8E
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BU of 7x8e by Molmil
Crystal structure of PfHPPD-Y13287 complex
分子名称: 1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Dong, J, Lin, H.-Y, Yang, G.-F.
登録日2022-03-12
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.749 Å)
主引用文献Structural insights of 4-Hydrophenylpyruvate dioxygenase inhibition by structurally diverse small molecules
Adv Agrochem, 2022
7X5R
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BU of 7x5r by Molmil
Crystal structure of AtHPPD-Lancotrione complex
分子名称: (1R,3R)-2-[(S)-[2-chloranyl-3-[2-(1,3-dioxolan-2-yl)ethoxy]-4-methylsulfonyl-phenyl]-oxidanyl-methyl]cyclohexane-1,3-diol, (4S)-2-METHYL-2,4-PENTANEDIOL, 4-hydroxyphenylpyruvate dioxygenase, ...
著者Lin, H.-Y, Dong, J, Yang, G.-F.
登録日2022-03-05
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.644 Å)
主引用文献Structural insights of 4-Hydrophenylpyruvate dioxygenase inhibition by structurally diverse small molecules
Adv Agrochem, 2022
7X6M
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Crystal structure of AtHPPD-Y191058 complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-hydroxyphenylpyruvate dioxygenase, 5-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-2-(trifluoromethyl)quinazolin-4-one, ...
著者Lin, H.-Y, Dong, J, Yang, G.-F.
登録日2022-03-07
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.815 Å)
主引用文献Structural insights of 4-Hydrophenylpyruvate dioxygenase inhibition by structurally diverse small molecules
Adv Agrochem, 2022
6LFB
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BU of 6lfb by Molmil
E. coli Thioesterase I mutant DG
分子名称: Acyl-CoA thioesterase I also functions as protease I
著者Deng, X, Chen, L, Yang, G.
登録日2019-12-01
公開日2020-07-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure-guided reshaping of the acyl binding pocket of 'TesA thioesterase enhances octanoic acid production in E. coli.
Metab. Eng., 61, 2020
7XNT
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BU of 7xnt by Molmil
Crystal structure of PfHPPD-Y13161 complex
分子名称: 3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Lin, H.-Y, Yang, G.-F.
登録日2022-04-29
公開日2022-12-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.822 Å)
主引用文献Structural insights of 4-Hydrophenylpyruvate dioxygenase inhibition by structurally diverse small molecules
Adv Agrochem, 2022
8JBW
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BU of 8jbw by Molmil
Crystal structure of ZtHPPD-(+)-Usnic acid complex
分子名称: (9bR)-2,6-diethanoyl-8,9b-dimethyl-3,7,9-tris(oxidanyl)dibenzofuran-1-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Lin, H.-Y, Dong, J, Yang, G.-F.
登録日2023-05-09
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery and Development of 4-Hydroxyphenylpyruvate Dioxygenase as a Novel Crop Fungicide Target.
J.Agric.Food Chem., 71, 2023
8GQT
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BU of 8gqt by Molmil
Structure of Mpro complexed with Quercetin
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, 3C-like proteinase nsp5
著者Dong, J, Yang, G.-F.
登録日2022-08-30
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure of Mpro complexed with Quercetin
To Be Published
7E0X
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BU of 7e0x by Molmil
Crystal structure of Arabidopsis thaliana HPPD complexed with 4-hydroxyphenylacetic acid
分子名称: 4-HYDROXYPHENYLACETATE, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Lin, H.Y, Yang, G.F.
登録日2021-01-28
公開日2021-12-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.887 Å)
主引用文献Rational Redesign of Enzyme via the Combination of Quantum Mechanics/Molecular Mechanics, Molecular Dynamics, and Structural Biology Study.
J.Am.Chem.Soc., 143, 2021
8WTZ
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BU of 8wtz by Molmil
potassium outward rectifier channel SKOR
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Potassium channel SKOR
著者Gao, X, Sun, T, Lu, Y, Jia, Y, Xu, X, Zhang, Y, Fu, P, Yang, G.
登録日2023-10-19
公開日2024-04-10
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural changes in the conversion of an Arabidopsis outward-rectifying K + channel into an inward-rectifying channel.
Plant Commun., 5, 2024
8WUI
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BU of 8wui by Molmil
SKOR D312N L271P double mutation
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Potassium channel SKOR
著者Gao, X, Sun, T, Lu, Y, Jia, Y, Xu, X, Zhang, Y, Fu, P, Yang, G.
登録日2023-10-20
公開日2024-04-10
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural changes in the conversion of an Arabidopsis outward-rectifying K + channel into an inward-rectifying channel.
Plant Commun., 5, 2024
7X5W
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BU of 7x5w by Molmil
Crystal structure of AtHPPD-Y18022 complex
分子名称: 1,5-dimethyl-3-naphthalen-1-yl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Lin, H.-Y, Dong, J, Yang, G.-F.
登録日2022-03-05
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.598 Å)
主引用文献Structural insights of 4-Hydrophenylpyruvate dioxygenase inhibition by structurally diverse small molecules
Adv Agrochem, 2022
7X5Y
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BU of 7x5y by Molmil
Crystal structure of AtHPPD-Y14240 complex
分子名称: (1R,3S)-5-methyl-2-[(1S)-2-naphthalen-1-yloxy-1-oxidanyl-ethyl]cyclohexane-1,3-diol, (4S)-2-METHYL-2,4-PENTANEDIOL, 4-hydroxyphenylpyruvate dioxygenase, ...
著者Lin, H.-Y, Dong, J, Yang, G.-F.
登録日2022-03-05
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Discovery of Subnanomolar Inhibitors of 4-Hydroxyphenylpyruvate Dioxygenase via Structure-Based Rational Design.
J.Agric.Food Chem., 71, 2023
7X69
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Crystal structure of AtHPPD-Y191053 complex
分子名称: 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(4-phenylbutyl)quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Lin, H.-Y, Dong, J, Yang, G.-F.
登録日2022-03-06
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.797 Å)
主引用文献Discovery of Subnanomolar Inhibitors of 4-Hydroxyphenylpyruvate Dioxygenase via Structure-Based Rational Design.
J.Agric.Food Chem., 71, 2023
7X8H
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Crystal structure of AtHPPD-(+)-Usnic acid complex
分子名称: (9bR)-2,6-diethanoyl-8,9b-dimethyl-3,7,9-tris(oxidanyl)dibenzofuran-1-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Dong, J, Lin, H.-Y, Yang, G.-F.
登録日2022-03-13
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.986 Å)
主引用文献Discovery of Subnanomolar Inhibitors of 4-Hydroxyphenylpyruvate Dioxygenase via Structure-Based Rational Design.
J.Agric.Food Chem., 71, 2023
7X5Z
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Crystal structure of AtHPPD-Y13162 complex
分子名称: 1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Lin, H.-Y, Dong, J, Yang, G.-F.
登録日2022-03-05
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.688 Å)
主引用文献Discovery of Subnanomolar Inhibitors of 4-Hydroxyphenylpyruvate Dioxygenase via Structure-Based Rational Design.
J.Agric.Food Chem., 71, 2023

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