8CJO
 
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-004 | | 分子名称: | 1-[(3~{S})-3-(4-chloranyl-2-fluoranyl-phenyl)-1,4,8-triazatricyclo[7.4.0.0^{2,7}]trideca-2(7),8-dien-4-yl]-2-(2-ethyl-6-methyl-pyridin-3-yl)oxy-ethanone, FE (III) ION, Tryptophan 5-hydroxylase 1 | | 著者 | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | 登録日 | 2023-02-13 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.86633706 Å) | | 主引用文献 | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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8CJN
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-070 | | 分子名称: | 3-ethyl-7-[(4-phenylphenyl)methyl]-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | | 著者 | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | 登録日 | 2023-02-13 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.68080938 Å) | | 主引用文献 | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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8CJM
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-07-047 | | 分子名称: | 7-(cyclobutylmethyl)-3-ethyl-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | | 著者 | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | 登録日 | 2023-02-13 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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8CJL
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor TPT-004 | | 分子名称: | 3-ethyl-8-[(2-methyl-5~{H}-imidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-(oxetan-3-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | | 著者 | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | 登録日 | 2023-02-13 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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8CJK
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-098 | | 分子名称: | 3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | | 著者 | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | 登録日 | 2023-02-13 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.45914972 Å) | | 主引用文献 | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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8CJJ
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-057 | | 分子名称: | 3-ethyl-7-(phenylmethyl)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | | 著者 | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | 登録日 | 2023-02-13 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.66415656 Å) | | 主引用文献 | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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8CJI
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-07-052 | | 分子名称: | FE (III) ION, Tryptophan 5-hydroxylase 1, methyl (2~{S})-2-azanyl-3-[[3-[[3-ethyl-2,6-bis(oxidanylidene)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]carbonylamino]propanoate | | 著者 | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | 登録日 | 2023-02-13 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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7ZIK
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7ZIJ
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-080 | | 分子名称: | 8-(1~{H}-benzimidazol-2-ylmethyl)-3-cyclopropyl-7-(phenylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | | 著者 | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | 登録日 | 2022-04-08 | | 公開日 | 2022-09-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.94678366 Å) | | 主引用文献 | Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 65, 2022
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7ZII
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-193 | | 分子名称: | 8-(5~{H}-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-7-(phenylmethyl)-3-propyl-purine-2,6-dione, FE (III) ION, GLYCEROL, ... | | 著者 | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | 登録日 | 2022-04-08 | | 公開日 | 2022-09-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6280005 Å) | | 主引用文献 | Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 65, 2022
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7ZIH
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor AG-01-128 | | 分子名称: | 8-(1~{H}-benzimidazol-2-ylmethyl)-3-ethyl-7-(phenylmethyl)purine-2,6-dione, DI(HYDROXYETHYL)ETHER, FE (III) ION, ... | | 著者 | Schuetz, A, Gogolin, A, Pfeifer, J, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | 登録日 | 2022-04-08 | | 公開日 | 2022-09-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.46890831 Å) | | 主引用文献 | Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 65, 2022
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7ZIG
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-060 | | 分子名称: | (2~{R})-2-azanyl-5-[[2-[[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]methyl]-1~{H}-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid, FE (III) ION, Tryptophan 5-hydroxylase 1 | | 著者 | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | 登録日 | 2022-04-08 | | 公開日 | 2022-09-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.808885 Å) | | 主引用文献 | Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 65, 2022
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7ZIF
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-480 | | 分子名称: | (2R)-2-azanyl-5-[[2-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanyl-3H-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid, FE (III) ION, GLYCEROL, ... | | 著者 | Schuetz, A, Ziebart, N, Weise, M, Mallow, K, Pfeifer, J, Nazare, M, Specker, E, Heinemann, U. | | 登録日 | 2022-04-08 | | 公開日 | 2022-09-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.86859715 Å) | | 主引用文献 | Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 65, 2022
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7WIY
 | | Cryo-EM structure of human TPH2 tetramer | | 分子名称: | FE (III) ION, IMIDAZOLE, Tryptophan 5-hydroxylase 2 | | 著者 | Zhu, K.F, Liu, C, Zhang, H.W, Wang, D.P. | | 登録日 | 2022-01-05 | | 公開日 | 2022-10-05 | | 最終更新日 | 2024-06-26 | | 実験手法 | ELECTRON MICROSCOPY (3.09 Å) | | 主引用文献 | Cryo-EM Structure and Activator Screening of Human Tryptophan Hydroxylase 2.
Front Pharmacol, 13, 2022
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7VGM
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7PIM
 | | Partial structure of tyrosine hydroxylase lacking the first 35 residues in complex with dopamine. | | 分子名称: | FE (III) ION, L-DOPAMINE, Regulatory domain alpha-helix, ... | | 著者 | Bueno-Carrasco, M.T, Cuellar, J, Santiago, C, Valpuesta, J.M, Martinez, A, Flydal, M.I. | | 登録日 | 2021-08-20 | | 公開日 | 2021-12-22 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (4.6 Å) | | 主引用文献 | Structural mechanism for tyrosine hydroxylase inhibition by dopamine and reactivation by Ser40 phosphorylation.
Nat Commun, 13, 2022
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7A2G
 | | Full-length structure of the substrate-free tyrosine hydroxylase (apo-TH). | | 分子名称: | FE (III) ION, Tyrosine 3-monooxygenase | | 著者 | Bueno-Carrasco, M.T, Cuellar, J, Santiago, C, Flydal, M.I, Martinez, A, Valpuesta, J.M. | | 登録日 | 2020-08-17 | | 公開日 | 2021-12-01 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Structural mechanism for tyrosine hydroxylase inhibition by dopamine and reactivation by Ser40 phosphorylation.
Nat Commun, 13, 2022
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6ZZU
 | | Partial structure of the substrate-free tyrosine hydroxylase (apo-TH). | | 分子名称: | FE (III) ION, Tyrosine 3-monooxygenase | | 著者 | Bueno-Carrasco, M.T, Cuellar, J, Santiago, C, Valpuesta, J.M, Martinez, A, Flydal, M.I. | | 登録日 | 2020-08-05 | | 公開日 | 2021-11-17 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Structural mechanism for tyrosine hydroxylase inhibition by dopamine and reactivation by Ser40 phosphorylation.
Nat Commun, 13, 2022
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6ZVP
 | | Atomic model of the EM-based structure of the full-length tyrosine hydroxylase in complex with dopamine (residues 40-497) in which the regulatory domain (residues 40-165) has been included only with the backbone atoms | | 分子名称: | FE (III) ION, L-DOPAMINE, Tyrosine 3-monooxygenase | | 著者 | Bueno-Carrasco, M.T, Cuellar, J, Santiago, C, Valpuesta, J.M, Martinez, A, Flydal, M.I. | | 登録日 | 2020-07-27 | | 公開日 | 2021-11-17 | | 最終更新日 | 2022-02-02 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Structural mechanism for tyrosine hydroxylase inhibition by dopamine and reactivation by Ser40 phosphorylation.
Nat Commun, 13, 2022
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6ZN2
 | | Partial structure of tyrosine hydroxylase in complex with dopamine showing the catalytic domain and an alpha-helix from the regulatory domain involved in dopamine binding. | | 分子名称: | FE (III) ION, L-DOPAMINE, SER-LEU-ILE-GLU-ASP-ALA-ARG-LYS-GLU-ARG-GLU-ALA-ALA-VAL-ALA-ALA-ALA-ALA, ... | | 著者 | Bueno-Carrasco, M.T, Cuellar, J, Santiago, C, Valpuesta, J.M, Martinez, A, Flydal, M.I. | | 登録日 | 2020-07-06 | | 公開日 | 2021-12-08 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Structural mechanism for tyrosine hydroxylase inhibition by dopamine and reactivation by Ser40 phosphorylation.
Nat Commun, 13, 2022
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6PAH
 | | HUMAN PHENYLALANINE HYDROXYLASE CATALYTIC DOMAIN DIMER WITH BOUND L-DOPA (3,4-DIHYDROXYPHENYLALANINE) INHIBITOR | | 分子名称: | 3,4-DIHYDROXYPHENYLALANINE, FE (III) ION, PHENYLALANINE 4-MONOOXYGENASE | | 著者 | Erlandsen, H, Flatmark, T, Stevens, R.C. | | 登録日 | 1998-08-20 | | 公開日 | 1999-04-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Crystallographic analysis of the human phenylalanine hydroxylase catalytic domain with bound catechol inhibitors at 2.0 A resolution.
Biochemistry, 37, 1998
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6N1K
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6HYC
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6HPO
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5TPG
 | | Optimization of spirocyclic proline tryptophanhydroxylase-1 inhibitors | | 分子名称: | (3S)-8-(2-amino-6-{(1R)-1-[5-chloro-3'-(methylsulfonyl)[1,1'-biphenyl]-2-yl]-2,2,2-trifluoroethoxy}pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETONITRILE, ... | | 著者 | Stein, A.J, Goldberg, D.R, De Lombaert, S, Holt, M.C. | | 登録日 | 2016-10-20 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Optimization of spirocyclic proline tryptophan hydroxylase-1 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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