7OM8
 
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3RFR
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3RGB
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3RJ6
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3RJN
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4HRX
 | | Crystal structure of KAI2 | | 分子名称: | Hydrolase, alpha/beta fold family protein | | 著者 | Bythell-Douglas, R, Waters, M.T, Scaffidi, A, Flematti, G.R, Smith, S.M, Bond, C.S. | | 登録日 | 2012-10-29 | | 公開日 | 2013-02-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | The Structure of the Karrikin-Insensitive Protein (KAI2) in Arabidopsis thaliana
Plos One, 8, 2013
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4HRY
 | | The structure of Arabidopsis thaliana KAI2 | | 分子名称: | CHLORIDE ION, GLYCEROL, Hydrolase, ... | | 著者 | Bythell-Douglas, R, Waters, M.T, Scaffidi, A, Flematti, G.R, Smith, S.M, Bond, C.S. | | 登録日 | 2012-10-29 | | 公開日 | 2013-02-27 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | The Structure of the Karrikin-Insensitive Protein (KAI2) in Arabidopsis thaliana
Plos One, 8, 2013
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4HTA
 | | The structure of the karrikin insensitive (KAI2) protein in Arabidopsis thaliana | | 分子名称: | GLYCEROL, Hydrolase, alpha/beta fold family protein, ... | | 著者 | Bythell-Douglas, R, Waters, M.T, Scaffidi, A, Flematti, G.R, Smith, S.M, Bond, C.S. | | 登録日 | 2012-11-01 | | 公開日 | 2013-02-27 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | | 主引用文献 | The Structure of the Karrikin-Insensitive Protein (KAI2) in Arabidopsis thaliana
Plos One, 8, 2013
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1TXO
 | | Crystal structure of the Mycobacterium tuberculosis serine/threonine phosphatase PstP/Ppp at 1.95 A. | | 分子名称: | MANGANESE (II) ION, Putative Bacterial Enzyme | | 著者 | Pullen, K.E, Ng, H.L, Sung, P.Y, Good, M.C, Smith, S.M, Alber, T, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2004-07-05 | | 公開日 | 2004-11-23 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | An Alternate Conformation and a Third Metal in PstP/Ppp, the M. tuberculosis PP2C-Family Ser/Thr Protein Phosphatase.
Structure, 12, 2004
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2C7Y
 | | plant enzyme | | 分子名称: | 3-KETOACYL-COA THIOLASE 2 | | 著者 | Sundaramoorthy, R, Micossi, E, Alphey, M.S, Germain, V, Bryce, J.H, Smith, S.M, Leonard, G.A, Hunter, W.N. | | 登録日 | 2005-11-30 | | 公開日 | 2006-05-18 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The Crystal Structure of a Plant 3-Ketoacyl-Coa Thiolase Reveals the Potential for Redox Control of Peroxisomal Fatty Acid Beta-Oxidation.
J.Mol.Biol., 359, 2006
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4ZO5
 | | PDE10 complexed with 4-isopropoxy-2-(2-(3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)isoindoline-1,3-dione | | 分子名称: | 2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione, 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, MAGNESIUM ION, ... | | 著者 | Yan, Y. | | 登録日 | 2015-05-06 | | 公開日 | 2015-08-12 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of [(11)C]MK-8193 as a PET tracer to measure target engagement of phosphodiesterase 10A (PDE10A) inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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4TWU
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4TWV
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8DI4
 | | Discovery of MK-8189, a highly potent and selective PDE10A inhibitor for the treatment of schizophrenia | | 分子名称: | 2-methyl-6-{[(1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl]methoxy}-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... | | 著者 | Hayes, R.P, Yan, Y. | | 登録日 | 2022-06-28 | | 公開日 | 2023-02-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.016 Å) | | 主引用文献 | Discovery of MK-8189, a Highly Potent and Selective PDE10A Inhibitor for the Treatment of Schizophrenia.
J.Med.Chem., 66, 2023
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5C1W
 | | PDE10 complexed with 4,6-dichloro-2-cyclopropyl-5-methyl-pyrimidine | | 分子名称: | 4,6-dichloro-2-cyclopropyl-5-methylpyrimidine, MAGNESIUM ION, ZINC ION, ... | | 著者 | Yan, Y. | | 登録日 | 2015-06-15 | | 公開日 | 2015-09-30 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis.
J.Med.Chem., 58, 2015
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5C2A
 | | PDE10 complexed with 6-chloro-2-cyclopropyl-N-[(2,4-dimethylthiazol-5-yl)methyl]-5-methyl-pyrimidin-4-amine | | 分子名称: | 6-chloro-2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylpyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... | | 著者 | Yan, Y. | | 登録日 | 2015-06-15 | | 公開日 | 2015-09-30 | | 最終更新日 | 2015-10-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis.
J.Med.Chem., 58, 2015
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5C28
 | | PDE10 complexed with 6-chloro-2-cyclopropyl-5-methyl-pyrimidin-4-amine | | 分子名称: | 6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... | | 著者 | Yan, Y. | | 登録日 | 2015-06-15 | | 公開日 | 2015-09-30 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis.
J.Med.Chem., 58, 2015
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5C2E
 | | PDE10 complexed with6-chloro-N-[(2,4-dimethylthiazol-5-yl)methyl]-5-methyl-2-[2-(2-pyridyl)ethoxy]pyrimidin-4-amine | | 分子名称: | 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine, MAGNESIUM ION, ... | | 著者 | Yan, Y. | | 登録日 | 2015-06-15 | | 公開日 | 2015-12-02 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis.
J.Med.Chem., 58, 2015
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5C29
 | | PDE10 complexed with 6-chloro-2-cyclopropyl-5-methyl-N-propyl-pyrimidin-4-amine | | 分子名称: | 6-chloro-2-cyclopropyl-5-methyl-N-propylpyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... | | 著者 | Yan, Y. | | 登録日 | 2015-06-15 | | 公開日 | 2015-09-30 | | 最終更新日 | 2015-10-21 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis.
J.Med.Chem., 58, 2015
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5C2H
 | | PDE10 complexed with 6-chloro-N-[(2,4-dimethylthiazol-5-yl)methyl]-5-methyl-2-[3-(2-quinolyl)propoxy]pyrimidin-4-amine | | 分子名称: | 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-(quinolin-2-yl)propoxy]pyrimidin-4-amine, MAGNESIUM ION, ... | | 著者 | Yan, Y. | | 登録日 | 2015-06-15 | | 公開日 | 2015-10-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis.
J.Med.Chem., 58, 2015
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5DH5
 | | PDE10 complexed with N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-(2-pyridyl)cyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine | | 分子名称: | MAGNESIUM ION, N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-{[(1S,2S)-2-(pyridin-2-yl)cyclopropyl]methoxy}pyrazolo[1,5-a]pyrimidin-7-amine, ZINC ION, ... | | 著者 | Yan, Y. | | 登録日 | 2015-08-29 | | 公開日 | 2016-01-27 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg.Med.Chem.Lett., 26, 2016
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5DJ5
 | | Crystal structure of rice DWARF14 in complex with synthetic strigolactone GR24 | | 分子名称: | (3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one, Probable strigolactone esterase D14 | | 著者 | Zhou, X.E, Zhao, L.-H, Yi, W, Wu, Z.-S, Liu, Y, Kang, Y, Hou, L, de Waal, P.W, Li, S, Jiang, Y, Melcher, K, Xu, H.E. | | 登録日 | 2015-09-01 | | 公開日 | 2015-10-28 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Destabilization of strigolactone receptor DWARF14 by binding of ligand and E3-ligase signaling effector DWARF3.
Cell Res., 25, 2015
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5DH4
 | | PDE10 complexed with 5-chloro-N-[(2,4-dimethylthiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine | | 分子名称: | 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, 5-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine, MAGNESIUM ION, ... | | 著者 | Yan, Y. | | 登録日 | 2015-08-29 | | 公開日 | 2016-01-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg.Med.Chem.Lett., 26, 2016
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4NS2
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6B98
 | | PDE2 in complex with compound 1 | | 分子名称: | 6-chloro-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... | | 著者 | Lu, J. | | 登録日 | 2017-10-10 | | 公開日 | 2017-11-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | The identification of a novel lead class for phosphodiesterase 2 inhibition by fragment-based drug design.
Bioorg. Med. Chem. Lett., 27, 2017
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