6CXH
 
 | |
8XLX
 | | Complex structure of AtHPPD with LB600 | | 分子名称: | (3~{R},4~{S},5~{R})-4-[2,4-bis(chloranyl)-3-phenylmethoxy-phenyl]carbonyl-1-ethyl-5-methyl-3-oxidanyl-pyrrolidin-2-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | 著者 | Yang, G.-F, Lin, H.-Y, Dong, J. | | 登録日 | 2023-12-26 | | 公開日 | 2025-01-01 | | 最終更新日 | 2025-07-02 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Reinforcement learning-based generative artificial intelligence for novel pesticide design.
J Adv Res, 2025
|
|
8XU9
 | | Crystal structure of AtHPPD-YH20531 complex | | 分子名称: | 2-fluoranyl-~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-3-propylsulfinyl-4-(trifluoromethyl)benzamide, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | 著者 | Dong, J, Lin, H.-Y, Yang, G.-F. | | 登録日 | 2024-01-12 | | 公開日 | 2025-01-15 | | 実験手法 | X-RAY DIFFRACTION (2.217 Å) | | 主引用文献 | Crystal structure of AtHPPD-YH20531 complex
To Be Published
|
|
8X42
 | | Complex structure of AtHPPD with YH20195 | | 分子名称: | 3-(5-chloranylpyridin-3-yl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | 著者 | Yang, G.-F, Lin, H.-Y, Dong, J. | | 登録日 | 2023-11-14 | | 公開日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.097 Å) | | 主引用文献 | Complex structure of AtHPPD with YH20195
To Be Published
|
|
8X68
 | | Complex structure of AtHPPD with YH21002 | | 分子名称: | 3-(4-fluorophenyl)-1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | 著者 | Yang, G.-F, Lin, H.-Y, Dong, J. | | 登録日 | 2023-11-20 | | 公開日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.895 Å) | | 主引用文献 | Complex structure of AtHPPD with YH21002
To Be Published
|
|
8X6A
 | | Complex structure of AtHPPD with Y18992 | | 分子名称: | 2-[[4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]-oxidanyl-methylidene]cyclohexane-1,3-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | 著者 | Yang, G.-F, Lin, H.-Y, Dong, J. | | 登録日 | 2023-11-20 | | 公開日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Complex structure of AtHPPD with Y18992
To Be Published
|
|
8X6C
 | | Complex structure of AtHPPD with YH23024 | | 分子名称: | 4-hydroxyphenylpyruvate dioxygenase, 7-[[2,6-bis(oxidanylidene)cyclohexylidene]-oxidanyl-methyl]-1,6-dimethyl-4-[[4-(trifluoromethyloxy)phenyl]methyl]-3~{H}-1,4-benzodiazepine-2,5-dione, COBALT (II) ION | | 著者 | Yang, G.-F, Lin, H.-Y, Dong, J. | | 登録日 | 2023-11-21 | | 公開日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.796 Å) | | 主引用文献 | Complex structure of AtHPPD with YH23024
To Be Published
|
|
8XQY
 | | Crystal structure of AtHPPD-Y181183 complex | | 分子名称: | 4-(3-methylbut-2-enyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-1,4-benzothiazin-3-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | 著者 | Dong, J, Lin, H.-Y, Yang, G.-F. | | 登録日 | 2024-01-05 | | 公開日 | 2025-01-15 | | 実験手法 | X-RAY DIFFRACTION (2.003 Å) | | 主引用文献 | Crystal structure of AtHPPD-Y181183 complex
To Be Published
|
|
8XUE
 | | Crystal structure of AtHPPD-Y191497 complex | | 分子名称: | 3-(4-chlorophenyl)-1-methyl-6-nitro-7-(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 | 2024-01-12 | | 公開日 | 2025-01-15 | | 実験手法 | X-RAY DIFFRACTION (2.218 Å) | | 主引用文献 | Crystal structure of AtHPPD-Y191497 complex
To Be Published
|
|
8X69
 | | Complex structure of AtHPPD with YH23010 | | 分子名称: | 4-(2-fluoranylethyl)-1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3~{H}-1,4-benzodiazepine-2,5-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | 著者 | Yang, G.-F, Lin, H.-Y, Dong, J. | | 登録日 | 2023-11-20 | | 公開日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.796 Å) | | 主引用文献 | Complex structure of AtHPPD with YH23010
To Be Published
|
|
8X5C
 | | Complex structure of AtHPPD with YH20540 | | 分子名称: | 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION, ~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-3-propylsulfanyl-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide | | 著者 | Yang, G.-F, Lin, H.-Y, Dong, J. | | 登録日 | 2023-11-16 | | 公開日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.788 Å) | | 主引用文献 | Complex structure of AtHPPD with YH20540
To Be Published
|
|
8XQV
 | | Crystal structure of AtHPPD-YH23025 complex | | 分子名称: | 4-[[1,6-dimethyl-2,5-bis(oxidanylidene)-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3~{H}-1,4-benzodiazepin-4-yl]methyl]benzenecarbonitrile, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | 著者 | Dong, J, Lin, H.-Y, Yang, G.-F. | | 登録日 | 2024-01-05 | | 公開日 | 2025-01-15 | | 実験手法 | X-RAY DIFFRACTION (2.698 Å) | | 主引用文献 | Crystal structure of AtHPPD-YH23025 complex
To Be Published
|
|
6CIO
 | |
6ISD
 | | Crystal structure of Arabidopsis thaliana HPPD complexed with sulcotrione | | 分子名称: | 2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | 著者 | Yang, W.C, Yang, G.F. | | 登録日 | 2018-11-16 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Molecular insights into the mechanism of 4-hydroxyphenylpyruvate dioxygenase inhibition: enzyme kinetics, X-ray crystallography and computational simulations.
FEBS J., 286, 2019
|
|
4U9O
 | | Crystal structure of NqrA from Vibrio cholerae | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Na(+)-translocating NADH-quinone reductase subunit A | | 著者 | Fritz, G. | | 登録日 | 2014-08-06 | | 公開日 | 2014-12-03 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure of the V. cholerae Na+-pumping NADH:quinone oxidoreductase.
Nature, 516, 2014
|
|
6J63
 | | Crystal structure of Arabidopsis thaliana HPPD complexed with NTBC | | 分子名称: | 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE, 4-hydroxyphenylpyruvate dioxygenase, FE (III) ION | | 著者 | Yang, W.C, Yang, G.F. | | 登録日 | 2019-01-13 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.624 Å) | | 主引用文献 | Molecular insights into the mechanism of 4-hydroxyphenylpyruvate dioxygenase inhibition: enzyme kinetics, X-ray crystallography and computational simulations.
FEBS J., 286, 2019
|
|
9Q4Y
 | | Structure of human endothelial nitric oxide synthase heme domain bound with 6-((2,3-difluoro-5-(2-(methylamino)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2025-08-20 | | 公開日 | 2025-09-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Highly potent, selective, and membrane permeable ether linked 2-aminopyridine-based human neuronal nitric oxide synthase inhibitors
To Be Published
|
|
9Q4X
 | | Structure of human endothelial nitric oxide synthase heme domain bound with 6-((5-(2-(dimethylamino)ethyl)-2,3-difluorophenoxy)methyl)-4-methylpyridin-2-amine | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({5-[2-(dimethylamino)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2025-08-20 | | 公開日 | 2025-09-10 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Highly potent, selective, and membrane permeable ether linked 2-aminopyridine-based human neuronal nitric oxide synthase inhibitors
To Be Published
|
|
9Q51
 | | Structure of human endothelial nitric oxide synthase heme domain bound with 6-((5-(2-(diethylamino)ethyl)-2,3-difluorophenxy)methyl)-4-methylpyridin-2-amine | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({5-[2-(diethylamino)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2025-08-20 | | 公開日 | 2025-09-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Highly potent, selective, and membrane permeable ether linked 2-aminopyridine-based human neuronal nitric oxide synthase inhibitors
To Be Published
|
|
9Q4Z
 | | Structure of human endothelial nitric oxide synthase heme domain bound with 6-((5-(2-(ethyl(methyl)amino)ethyl)-2,3-difluorophenxy)methyl)-4-methylphridin-2-amine | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[(5-{2-[ethyl(methyl)amino]ethyl}-2,3-difluorophenoxy)methyl]-4-methylpyridin-2-amine, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2025-08-20 | | 公開日 | 2025-09-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Highly potent, selective, and membrane permeable ether linked 2-aminopyridine-based human neuronal nitric oxide synthase inhibitors
To Be Published
|
|
6OI6
 | | Crystal structure of human Sulfide Quinone Oxidoreductase in complex with coenzyme Q (sulfide soaked) | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Sulfide:quinone oxidoreductase, mitochondrial, ... | | 著者 | Banerjee, R, Cho, U.S, Kim, H, Moon, S. | | 登録日 | 2019-04-08 | | 公開日 | 2020-01-15 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | A Catalytic Trisulfide in Human Sulfide Quinone Oxidoreductase Catalyzes Coenzyme A Persulfide Synthesis and Inhibits Butyrate Oxidation.
Cell Chem Biol, 26, 2019
|
|
6OIC
 | | Crystal structure of human Sulfide Quinone Oxidoreductase in complex with coenzyme Q (sulfite soaked) | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, HYDROSULFURIC ACID, Sulfide:quinone oxidoreductase, ... | | 著者 | Banerjee, R, Cho, U.S, Kim, H, Moon, S. | | 登録日 | 2019-04-09 | | 公開日 | 2020-01-15 | | 最終更新日 | 2025-04-02 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | A Catalytic Trisulfide in Human Sulfide Quinone Oxidoreductase Catalyzes Coenzyme A Persulfide Synthesis and Inhibits Butyrate Oxidation.
Cell Chem Biol, 26, 2019
|
|
6OIB
 | | Crystal structure of human Sulfide Quinone Oxidoreductase in complex with coenzyme Q | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, HYDROSULFURIC ACID, ... | | 著者 | Banerjee, R, Cho, U.S, Kim, H, Moon, S. | | 登録日 | 2019-04-09 | | 公開日 | 2020-01-15 | | 最終更新日 | 2025-04-02 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | A Catalytic Trisulfide in Human Sulfide Quinone Oxidoreductase Catalyzes Coenzyme A Persulfide Synthesis and Inhibits Butyrate Oxidation.
Cell Chem Biol, 26, 2019
|
|
6NAC
 | | Crystal structure of [FeFe]-hydrogenase I (CpI) solved with single pulse free electron laser data | | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, IRON/SULFUR CLUSTER, ... | | 著者 | Cohen, A.E, Davidson, C.M, Zadvornyy, O.A, Keable, S.M, Lyubimov, A.Y, Song, J, McPhillips, S.E, Soltis, S.M, Peters, J.W. | | 登録日 | 2018-12-05 | | 公開日 | 2019-12-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Tuning Catalytic Bias of Hydrogen Gas Producing Hydrogenases.
J.Am.Chem.Soc., 142, 2020
|
|
6POB
 | | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(thiazol-4-ylmethoxy)phenyl)-4-methylquinolin-2-amine | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine, GLYCEROL, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2019-07-03 | | 公開日 | 2020-04-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
|
|
