5P9W
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![BU of 5p9w by Molmil](/molmil-images/mine/5p9w) | rat catechol O-methyltransferase in complex with 4'-fluoro-4,5-dihydroxy-N-{[(1R,2R)-2-{(2S,4R,5R)-4-hydroxy-5-[6-(methylamino)-9H-purin-9-yl]oxolan-2-yl}cyclopropyl]methyl}[1,1'-biphenyl]-3-carboxamide | 分子名称: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4'-fluoro-4,5-dihydroxy-N-{[(1R,2R)-2-{(2S,4R,5R)-4-hydroxy-5-[6-(methylamino)-9H-purin-9-yl]oxolan-2-yl}cyclopropyl]methyl}[1,1'-biphenyl]-3-carboxamide, ... | 著者 | Ehler, A, Lerner, C, Rudolph, M.G. | 登録日 | 2016-10-19 | 公開日 | 2017-11-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Crystal Structure of a COMT complex To be published
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5SFM
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![BU of 5sfm by Molmil](/molmil-images/mine/5sfm) | Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-4-(morpholine-4-carbonyl)-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-3-carboxamide | 分子名称: | 1-methyl-4-(morpholine-4-carbonyl)-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Lerner, C, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2022-01-21 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
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5SFW
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![BU of 5sfw by Molmil](/molmil-images/mine/5sfw) | Crystal Structure of human phosphodiesterase 10 in complex with 5-ethyl-8-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine | 分子名称: | (4R)-5-ethyl-8-methyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Lerner, C, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2022-01-21 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
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5SEF
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![BU of 5sef by Molmil](/molmil-images/mine/5sef) | Crystal Structure of human phosphodiesterase 10 in complex with 5,7,8-trimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine | 分子名称: | (4R)-5,7,8-trimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Lerner, C, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2022-01-21 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
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5SEJ
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![BU of 5sej by Molmil](/molmil-images/mine/5sej) | Crystal Structure of human phosphodiesterase 10 in complex with 6-chloro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine | 分子名称: | (4R)-6-chloro-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Lerner, C, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2022-01-21 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
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5SEQ
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![BU of 5seq by Molmil](/molmil-images/mine/5seq) | Crystal Structure of human phosphodiesterase 10 in complex with 5,6,8-trimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine | 分子名称: | (4S)-5,6,8-trimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]pyrazine, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Lerner, C, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2022-01-21 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
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5SEU
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![BU of 5seu by Molmil](/molmil-images/mine/5seu) | Crystal Structure of human phosphodiesterase 10 in complex with 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine | 分子名称: | (4R)-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-6-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Lerner, C, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2022-01-21 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
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5SEI
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![BU of 5sei by Molmil](/molmil-images/mine/5sei) | Crystal Structure of human phosphodiesterase 10 in complex with 6-chloro-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine | 分子名称: | (4R)-6-chloro-2-{(E)-2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethenyl}[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Lerner, C, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2022-01-21 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
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5SGC
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![BU of 5sgc by Molmil](/molmil-images/mine/5sgc) | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-3-carboxamide | 分子名称: | 4-(azetidine-1-carbonyl)-1-methyl-N-[(4S)-2-(morpholin-4-yl)[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Lerner, C, Rudolph, M.G. | 登録日 | 2022-02-01 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
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5SIW
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![BU of 5siw by Molmil](/molmil-images/mine/5siw) | 5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine | 分子名称: | (4S)-5-methyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-8-(trifluoromethyl)[1,2,4]triazolo[1,5-c]pyrimidine, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Lerner, C, Rudolph, M.G. | 登録日 | 2022-02-01 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
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5SHT
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![BU of 5sht by Molmil](/molmil-images/mine/5sht) | Crystal Structure of human phosphodiesterase 10 in complex with 8-chloro-5,7-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine | 分子名称: | (4S)-8-chloro-5,7-dimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Lerner, C, Rudolph, M.G. | 登録日 | 2022-02-01 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
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5SI0
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![BU of 5si0 by Molmil](/molmil-images/mine/5si0) | Crystal Structure of human phosphodiesterase 10 in complex with 7-methyl-2,5-bis[2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine | 分子名称: | (4R)-7-methyl-2,5-bis{2-[1-methyl-5-(pyrrolidin-1-yl)-1H-1,2,4-triazol-3-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Lerner, C, Rudolph, M.G. | 登録日 | 2022-02-01 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
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5SG1
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![BU of 5sg1 by Molmil](/molmil-images/mine/5sg1) | Crystal Structure of human phosphodiesterase 10 in complex with 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]quinoline | 分子名称: | (10R)-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]quinoline, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Lerner, C, Rudolph, M.G. | 登録日 | 2022-02-01 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
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5SID
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![BU of 5sid by Molmil](/molmil-images/mine/5sid) | Crystal Structure of human phosphodiesterase 10 in complex with 5-chloro-2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1,3-benzothiazole | 分子名称: | (4S)-6,8-dichloro-2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Lerner, C, Rudolph, M.G. | 登録日 | 2022-02-01 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
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5SIU
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![BU of 5siu by Molmil](/molmil-images/mine/5siu) | Crystal Structure of human phosphodiesterase 10 in complex with 3-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-quinoxalin-2-one | 分子名称: | 3-{2-[(4S)-6,8-dichloro-5-methyl[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl}quinoxalin-2(1H)-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Lerner, C, Rudolph, M.G. | 登録日 | 2022-02-01 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
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5SJN
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![BU of 5sjn by Molmil](/molmil-images/mine/5sjn) | Crystal Structure of human phosphodiesterase 10 in complex with 6,8-dichloro-2-[2-(6,7-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine | 分子名称: | (4R)-6,8-dichloro-2-[2-(6,7-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Lerner, C, Rudolph, M.G. | 登録日 | 2022-02-01 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
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5SJP
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![BU of 5sjp by Molmil](/molmil-images/mine/5sjp) | Crystal Structure of human phosphodiesterase 10 in complex with ethyl N-[[4-[[4-(azetidine-1-carbonyl)-2-methylpyrazole-3-carbonyl]amino]-6-methylpyridin-2-yl]carbamothioyl]carbamate | 分子名称: | MAGNESIUM ION, ZINC ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Lerner, C, Rudolph, M.G. | 登録日 | 2022-02-01 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
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