6BPT
 
 | | Crystal structure of ferrous form of the uncrosslinked F2-Tyr157 human cysteine dioxygenase | | 分子名称: | Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ... | | 著者 | Liu, A, Li, J, Shin, I. | | 登録日 | 2017-11-26 | | 公開日 | 2018-07-04 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.402 Å) | | 主引用文献 | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
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6BPW
 | | Crystal structure of ferrous form of the Cl2-Tyr157 human cysteine dioxygenase with both uncrosslinked and crosslinked cofactor | | 分子名称: | Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ... | | 著者 | Liu, A, Li, J, Shin, I. | | 登録日 | 2017-11-26 | | 公開日 | 2018-07-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
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6BPR
 | | Crystal structure of cysteine, nitric oxide-bound ferrous form of the uncrosslinked F2-Tyr157 human cysteine dioxygenase | | 分子名称: | CYSTEINE, Cysteine dioxygenase type 1, FE (III) ION, ... | | 著者 | Liu, A, Li, J, Shin, I. | | 登録日 | 2017-11-26 | | 公開日 | 2019-04-17 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Probing the Cys-Tyr Cofactor Biogenesis in Cysteine Dioxygenase by the Genetic Incorporation of Fluorotyrosine.
Biochemistry, 58, 2019
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7KQR
 | | A 1.89-A resolution substrate-bound crystal structure of heme-dependent tyrosine hydroxylase from S. sclerotialus | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Heme-dependent L-tyrosine hydroxylase, ... | | 著者 | Wang, Y, Shin, I, Liu, A. | | 登録日 | 2020-11-17 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Molecular Rationale for Partitioning between C-H and C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase.
J.Am.Chem.Soc., 143, 2021
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8TDQ
 | | SFX-XFEL structure of CYP121 cocrystallized with substrate cYY | | 分子名称: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A. | | 登録日 | 2023-07-04 | | 公開日 | 2023-11-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121.
J.Am.Chem.Soc., 145, 2023
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8TDP
 | | Time-resolved SFX-XFEL crystal structure of CYP121 bound with cYY reacted with peracetic acid for 200 milliseconds | | 分子名称: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, HYDROGEN PEROXIDE, Mycocyclosin synthase, ... | | 著者 | Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A. | | 登録日 | 2023-07-04 | | 公開日 | 2023-11-22 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121.
J.Am.Chem.Soc., 145, 2023
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7KQS
 | | A 1.68-A resolution 3-fluoro-L-tyrosine bound crystal structure of heme-dependent tyrosine hydroxylase | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-FLUOROTYROSINE, ... | | 著者 | Wang, Y, Liu, A. | | 登録日 | 2020-11-17 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.677 Å) | | 主引用文献 | Molecular Rationale for Partitioning between C-H and C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase.
J.Am.Chem.Soc., 143, 2021
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7KQT
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6CDN
 | | Crystal structure of cysteine-bound ferrous form of the crosslinked Cl-Tyr157 human cysteine dioxygenase | | 分子名称: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ... | | 著者 | Liu, A, Li, J, Shin, I. | | 登録日 | 2018-02-08 | | 公開日 | 2018-07-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.055 Å) | | 主引用文献 | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
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6CDH
 | | Crystal structure of ferrous form of the Cl-Tyr157 human cysteine dioxygenase with both uncrosslinked and crosslinked cofactor | | 分子名称: | Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ... | | 著者 | Liu, A, Li, J, Shin, I. | | 登録日 | 2018-02-08 | | 公開日 | 2018-07-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.821 Å) | | 主引用文献 | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
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6VDQ
 | | Crystal structure of SfmD | | 分子名称: | 3-methyl-L-tyrosine peroxygenase, HEME C | | 著者 | Shin, I, Liu, A. | | 登録日 | 2019-12-27 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | A novel catalytic heme cofactor in SfmD with a single thioether bond and a bis -His ligand set revealed by a de novo crystal structural and spectroscopic study.
Chem Sci, 12, 2021
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6VDP
 | | Crystal structure of SfmD truncated variant | | 分子名称: | 3-methyl-L-tyrosine peroxygenase, HEME C | | 著者 | Shin, I, Liu, A. | | 登録日 | 2019-12-27 | | 公開日 | 2021-03-10 | | 最終更新日 | 2021-07-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A novel catalytic heme cofactor in SfmD with a single thioether bond and a bis -His ligand set revealed by a de novo crystal structural and spectroscopic study.
Chem Sci, 12, 2021
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6VDZ
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6VE0
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4YD0
 | | Influenza polymerase basic protein 2 (PB2) bound to an azaindole-tetrazole inhibitor | | 分子名称: | 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-[(1R,2S,3S,4R)-3-(1H-tetrazol-5-yl)bicyclo[2.2.2]oct-2-yl]pyrimidin-4-amine, Polymerase basic protein 2 | | 著者 | Jacobs, M.D. | | 登録日 | 2015-02-20 | | 公開日 | 2015-04-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Isosteric replacements of the carboxylic acid of drug candidate VX-787: Effect of charge on antiviral potency and kinase activity of azaindole-based influenza PB2 inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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5WP2
 | | 1.44 Angstrom crystal structure of CYP121 from Mycobacterium tuberculosis in complex with substrate and CN | | 分子名称: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, CYANIDE ION, Mycocyclosin synthase, ... | | 著者 | Fielding, A, Dornevil, K, Liu, A. | | 登録日 | 2017-08-03 | | 公開日 | 2018-05-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.439 Å) | | 主引用文献 | Probing Ligand Exchange in the P450 Enzyme CYP121 from Mycobacterium tuberculosis: Dynamic Equilibrium of the Distal Heme Ligand as a Function of pH and Temperature.
J. Am. Chem. Soc., 139, 2017
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4HSJ
 | | 1.88 angstrom x-ray crystal structure of piconlinic-bound 3-hydroxyanthranilate-3,4-dioxygenase | | 分子名称: | 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION, PYRIDINE-2-CARBOXYLIC ACID | | 著者 | Liu, F, Chen, L, Davis, C.I, Liu, A. | | 登録日 | 2012-10-30 | | 公開日 | 2015-05-06 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.883 Å) | | 主引用文献 | An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE.
J.Biol.Chem., 290, 2015
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6N43
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6N42
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7K12
 | | ACMSD in complex with diflunisal | | 分子名称: | 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID, CITRIC ACID, ... | | 著者 | Yang, Y, Liu, A. | | 登録日 | 2020-09-07 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Diflunisal Derivatives as Modulators of ACMS Decarboxylase Targeting the Tryptophan-Kynurenine Pathway.
J.Med.Chem., 64, 2021
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7K13
 | | ACMSD in complex with diflunisal derivative 14 | | 分子名称: | 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, 2-hydroxy-5-(thiophen-3-yl)benzoic acid, ZINC ION | | 著者 | Yang, Y, Liu, A. | | 登録日 | 2020-09-07 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Diflunisal Derivatives as Modulators of ACMS Decarboxylase Targeting the Tryptophan-Kynurenine Pathway.
J.Med.Chem., 64, 2021
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7KQ2
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7KPZ
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5F79
 | | Influenza PB2 bound to an azaindole inhibitor | | 分子名称: | N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide, Polymerase basic protein 2 | | 著者 | Jacobs, M.D. | | 登録日 | 2015-12-07 | | 公開日 | 2016-12-07 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Novel 2-Substituted 7-Azaindole and 7-Azaindazole Analogues as Potential Antiviral Agents for the Treatment of Influenza.
ACS Med Chem Lett, 8, 2017
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5BUH
 | | Influenza PB2 bound to a hydroxymethyl azaindole inhibitor | | 分子名称: | N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide, Polymerase basic protein 2 | | 著者 | Jacobs, M.D. | | 登録日 | 2015-06-03 | | 公開日 | 2016-06-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Novel 2-Substituted 7-Azaindole and 7-Azaindazole Analogues as Potential Antiviral Agents for the Treatment of Influenza.
ACS Med Chem Lett, 8, 2017
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