4LVU
 
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9CWI
 | | Structure of human endothelial nitric oxide synthase heme domain bound with 6-(5-((3,3-difluoroazetidin-1-yl)methyl)-2,3-difluorophenyl)-4-methylpyridin-2-amine dihydrochloride | | 分子名称: | (6M)-6-{5-[(3,3-difluoroazetidin-1-yl)methyl]-2,3-difluorophenyl}-4-methylpyridin-2-amine, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2024-07-29 | | 公開日 | 2025-04-30 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Truncated pyridinylbenzylamines: Potent, selective, and highly membrane permeable inhibitors of human neuronal nitric oxide synthase.
Bioorg.Med.Chem., 124, 2025
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9CWJ
 | | Structure of human endothelial nitric oxide synthase heme domain bound with 6-(5-((4,4-difluoropiperidin-1-yl)methyl)-2,3-difluorophenyl)-4-methylpyridin-2-amine dihydrochloride | | 分子名称: | (6M)-6-{5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl}-4-methylpyridin-2-amine, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2024-07-29 | | 公開日 | 2025-04-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Truncated pyridinylbenzylamines: Potent, selective, and highly membrane permeable inhibitors of human neuronal nitric oxide synthase.
Bioorg.Med.Chem., 124, 2025
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4YQE
 | | Crystal structure of E. coli WrbA in complex with benzoquinone | | 分子名称: | 1,4-benzoquinone, FLAVIN MONONUCLEOTIDE, NAD(P)H dehydrogenase (quinone) | | 著者 | Degtjarik, O, Brynda, J, Ettrichova, O, Carey, J, Kuta Smatanova, I, Ettrich, R. | | 登録日 | 2015-03-13 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Quantum Calculations Indicate Effective Electron Transfer between FMN and Benzoquinone in a New Crystal Structure of Escherichia coli WrbA.
J.Phys.Chem.B, 120, 2016
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8CDF
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5ZOY
 | | Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by ethylamine at pH 7 at 288 K (2) | | 分子名称: | 1,2-ETHANEDIOL, COPPER (II) ION, Phenylethylamine oxidase, ... | | 著者 | Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T. | | 登録日 | 2018-04-16 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.695 Å) | | 主引用文献 | In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5ZPP
 | | Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by phenylethylamine at pH 8 at 288 K (3) | | 分子名称: | 1,2-ETHANEDIOL, COPPER (II) ION, PHENYLACETALDEHYDE, ... | | 著者 | Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T. | | 登録日 | 2018-04-16 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5ZPR
 | | Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by phenylethylamine at pH 9 at 288 K (2) | | 分子名称: | 1,2-ETHANEDIOL, COPPER (II) ION, PHENYLACETALDEHYDE, ... | | 著者 | Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T. | | 登録日 | 2018-04-16 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.922 Å) | | 主引用文献 | In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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7EKD
 | | Crystal structure of gibberellin 3-oxidase 2 (GA3ox2) in rice | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-OXOGLUTARIC ACID, Gibberellin 3-beta-dioxygenase 2, ... | | 著者 | Takehara, S, Kawai, K, Mikami, B, Ueguchi-Tanaka, M. | | 登録日 | 2021-04-05 | | 公開日 | 2022-02-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.899 Å) | | 主引用文献 | Evolutionary alterations in gene expression and enzymatic activities of gibberellin 3-oxidase 1 in Oryza.
Commun Biol, 5, 2022
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5F32
 | | Crystal structure of human KDM4A in complex with compound 40 | | 分子名称: | 1,2-ETHANEDIOL, 8-(2-azanyl-1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | | 著者 | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | | 登録日 | 2015-12-02 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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5F2S
 | | Crystal structure of human KDM4A in complex with compound 15 | | 分子名称: | 1,2-ETHANEDIOL, 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid, CHLORIDE ION, ... | | 著者 | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | | 登録日 | 2015-12-02 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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4IE6
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5FEX
 | | HydE from T. maritima in complex with Se-adenosyl-L-selenocysteine (tfinal of the reaction) | | 分子名称: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5'-DEOXYADENOSINE, CHLORIDE ION, ... | | 著者 | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | | 登録日 | 2015-12-17 | | 公開日 | 2016-04-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
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1LGT
 | | CRYSTAL STRUCTURE OF 2,3-DIHYDROXYBIPHENYL 1,2-DIOXYGENASE (DHBD) COMPLEXED WITH 2'-Cl DIHYDROXYBIPHENYL (DHB) | | 分子名称: | 2'-CHLORO-BIPHENYL-2,3-DIOL, BIPHENYL-2,3-DIOL 1,2-DIOXYGENASE, FE (II) ION | | 著者 | Dai, S, Bolin, J.T. | | 登録日 | 2002-04-16 | | 公開日 | 2002-11-27 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Identification and analysis of a bottleneck in PCB biodegradation
Nat.Struct.Biol., 12, 2002
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4ZMG
 | | Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with DH03A338 | | 分子名称: | 1-(3,5-difluoro-3'-methoxybiphenyl-4-yl)-3-(1,3-thiazol-5-yl)urea, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | 著者 | Ren, X.L, Zhu, J.S, Zhu, L.L, Li, H.L. | | 登録日 | 2015-05-04 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with DH03A338
To Be Published
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1QGL
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9GZ4
 | | FeFe Hydrogenase from Desulfovibrio desulfuricans labelled with cyanophenylalanine - reduced state | | 分子名称: | CHLORIDE ION, IRON/SULFUR CLUSTER, LITHIUM ION, ... | | 著者 | Carr, S.B, Duan, Z, Rodroguez-Macia, P, Vincent, K.A. | | 登録日 | 2024-10-03 | | 公開日 | 2025-05-28 | | 最終更新日 | 2025-07-30 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | Cyanophenylalanine as an Infrared Probe for Iron-Sulfur Cluster Redox State in Multicenter Metalloenzymes.
Chembiochem, 26, 2025
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6ETV
 | | Crystal structure of KDM4D with tetrazolhydrazide compound 2 | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | 著者 | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | | 登録日 | 2017-10-27 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019
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2VVL
 | | The structure of MAO-N-D3, a variant of monoamine oxidase from Aspergillus niger. | | 分子名称: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, MONOAMINE OXIDASE N | | 著者 | Atkin, K.E, Hart, S, Turkenburg, J.P, Brzozowski, A.M, Grogan, G.J. | | 登録日 | 2008-06-10 | | 公開日 | 2008-11-04 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | The Structure of Monoamine Oxidase from Aspergillus Niger Provides a Molecular Context for Improvements in Activity Obtained by Directed Evolution.
J.Mol.Biol., 384, 2008
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9F5U
 | | Crystal structure of Heme-Oxygenase from Corynebacterium diphtheriae complexed with Cobalt-porphyrine (HumO-Co(III)) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ... | | 著者 | Labidi, R.J, Faivre, B, Carpentier, P, Perard, J, Gotico, P, Li, Y, Atta, M, Fontecave, M. | | 登録日 | 2024-04-30 | | 公開日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Light-Activated Artificial CO 2 -Reductase: Structure and Activity.
J.Am.Chem.Soc., 2024
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9F66
 | | Crystal structure of Heme-Oxygenase from Corynebacterium diphtheriae complexed with Cobalt-porphyrine (HumO-Co(III)) flash-cooled under CO2 pressure | | 分子名称: | 1,2-ETHANEDIOL, CARBON DIOXIDE, CHLORIDE ION, ... | | 著者 | Labidi, R.J, Faivre, B, Carpentier, P, Perard, J, Gotico, P, Li, Y, Atta, M, Fontecave, M. | | 登録日 | 2024-04-30 | | 公開日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Light-Activated Artificial CO 2 -Reductase: Structure and Activity.
J.Am.Chem.Soc., 2024
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9EH5
 | | Structure of a mutated photosystem II complex reveals changes to the hydrogen-bonding network that affect proton egress during O-O bond formation | | 分子名称: | (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | 著者 | Flesher, D.A, Shin, J, Debus, R.J, Brudvig, G.W. | | 登録日 | 2024-11-22 | | 公開日 | 2025-02-19 | | 最終更新日 | 2025-03-19 | | 実験手法 | ELECTRON MICROSCOPY (1.97 Å) | | 主引用文献 | Structure of a mutated photosystem II complex reveals changes to the hydrogen-bonding network that affect proton egress during O-O bond formation.
J.Biol.Chem., 301, 2025
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9ER6
 | | Hydrogenase-1 Ni-SI state | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, ... | | 著者 | Carr, S.B, Li, W, Wong, K.L, Ash, P.A, Vincent, K.A. | | 登録日 | 2024-03-22 | | 公開日 | 2025-04-02 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Glutamate flick enables proton tunnelling during fast redox biocatalysis
To Be Published
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9ER7
 | | Hydrogenase-1 Ni-SCO state | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBON MONOXIDE, CARBONMONOXIDE-(DICYANO) IRON, ... | | 著者 | Carr, S.B, Li, W, Wong, K.l, Ash, P.A, Vincent, K.A. | | 登録日 | 2024-03-22 | | 公開日 | 2025-04-02 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Glutamate flick enables proton tunnelling during fast redox biocatalysis
To Be Published
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6TUY
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