5SHP
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![BU of 5shp by Molmil](/molmil-images/mine/5shp) | Crystal Structure of human phosphodiesterase 10 in complex with 2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-3H-imidazo[4,5-h]quinoline | 分子名称: | 2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-imidazo[4,5-h]quinoline, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Krasso, A, 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 (2.18 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
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5SEB
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![BU of 5seb by Molmil](/molmil-images/mine/5seb) | Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-3-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]quinoxaline | 分子名称: | 2-methyl-3-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}quinoxaline, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Flohr, A, 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 (2.28 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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5SI8
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![BU of 5si8 by Molmil](/molmil-images/mine/5si8) | Crystal Structure of human phosphodiesterase 10 in complex with N-(6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-(morpholine-4-carbonyl)pyrazole-3-carboxamide | 分子名称: | MAGNESIUM ION, N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)-1H-pyrazole-3-carboxamide, ZINC ION, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Peters, J, 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 (2.1 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
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5SED
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![BU of 5sed by Molmil](/molmil-images/mine/5sed) | Crystal Structure of human phosphodiesterase 10 in complex with 4-[6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-yl]morpholine | 分子名称: | 6-chloro-2-{[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]methoxy}-4-(morpholin-4-yl)quinazoline, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Groebke-Zbinden, K, 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 (2.32 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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5SIP
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![BU of 5sip by Molmil](/molmil-images/mine/5sip) | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-3-carboxamide | 分子名称: | 4-(azetidine-1-carbonyl)-1-methyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Peters, J, 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 (2.03 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
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5SJ5
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![BU of 5sj5 by Molmil](/molmil-images/mine/5sj5) | Crystal Structure of human phosphodiesterase 10 in complex with 6-chloroquinoxalin-2-amine | 分子名称: | 6-chloroquinoxalin-2-amine, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Isenring, H, 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 (2.49 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
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5SEC
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![BU of 5sec by Molmil](/molmil-images/mine/5sec) | Crystal Structure of human phosphodiesterase 10 in complex with 2-[2-(1,4-diphenylimidazol-2-yl)ethyl]-3-methylquinoxaline | 分子名称: | 2-[2-(1,4-diphenyl-1H-imidazol-2-yl)ethyl]-3-methylquinoxaline, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Groebke-Zbinden, K, 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 (2.03 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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5SJM
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![BU of 5sjm by Molmil](/molmil-images/mine/5sjm) | Crystal Structure of human phosphodiesterase 10 in complex with 3-(2-phenylethyl)-5-pyridin-4-yl-1H-pyridin-2-one | 分子名称: | (5S)-5-(2-phenylethyl)[3,4'-bipyridin]-6(5H)-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Bleicher, K, 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 (2.3 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
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5SEH
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![BU of 5seh by Molmil](/molmil-images/mine/5seh) | 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-a]pyridin-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-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Flohr, A, 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 (2.1 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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5SK1
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![BU of 5sk1 by Molmil](/molmil-images/mine/5sk1) | Crystal Structure of human phosphodiesterase 10 in complex with 4-N,2-dimethyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-3,4-dicarboxamide | 分子名称: | CHLORIDE ION, MAGNESIUM ION, N~4~,1-dimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4,5-dicarboxamide, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Peters, J, 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 (2.3 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
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5SKI
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![BU of 5ski by Molmil](/molmil-images/mine/5ski) | Crystal Structure of human phosphodiesterase 10 in complex with N-[(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methyl]-2-methyl-5-phenyl-1,2,4-triazol-3-amine | 分子名称: | MAGNESIUM ION, N-{[(4R)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl}-1-methyl-3-phenyl-1H-1,2,4-triazol-5-amine, ZINC ION, ... | 著者 | Joseph, C, Benz, J, Flohr, A, 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 (2.16 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
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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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5SDX
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![BU of 5sdx by Molmil](/molmil-images/mine/5sdx) | Crystal Structure of human phosphodiesterase 10 in complex with 4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridin-2-yl]morpholine | 分子名称: | 4-(6-{2-[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]ethyl}pyridin-2-yl)morpholine, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Groebke-Zbinden, K, 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 (2.19 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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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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5SET
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![BU of 5set by Molmil](/molmil-images/mine/5set) | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-(2-methyl-5-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | 分子名称: | 6-cyclopropyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Groebke-Zbinden, K, 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 (2.4 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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5SES
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![BU of 5ses by Molmil](/molmil-images/mine/5ses) | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-3-carboxamide | 分子名称: | 4-(azetidine-1-carbonyl)-1-methyl-N-[(4R,7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Bleicher, K, 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 (2.11 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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5SFC
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![BU of 5sfc by Molmil](/molmil-images/mine/5sfc) | Crystal Structure of human phosphodiesterase 10 in complex with | 分子名称: | 3-(azetidin-1-ylcarbonyl)-2-methyl-~{N}-(2-phenyl-2,3-dihydro-1~{H}-imidazo[1,2-a]pyrimidin-7-yl)-1,5-dihydropyrazole-4-carboxamide, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Peters, J.U, 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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5SEX
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![BU of 5sex by Molmil](/molmil-images/mine/5sex) | Crystal Structure of human phosphodiesterase 10 in complex with N-methyl-6-[(6-methylpyridine-2-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide | 分子名称: | MAGNESIUM ION, N-methyl-6-[(6-methylpyridine-2-carbonyl)amino]-2-phenyl-1H-benzimidazole-5-carboxamide, ZINC ION, ... | 著者 | Joseph, C, Groebke-Zbinden, K, 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 (1.99 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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5SFU
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![BU of 5sfu by Molmil](/molmil-images/mine/5sfu) | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)pyridin-3-yl]pyridine-2-carboxamide | 分子名称: | 6-cyclopropyl-3-[(pyrimidin-5-yl)amino]-N-[4-(pyrrolidine-1-carbonyl)pyridin-3-yl]pyridine-2-carboxamide, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Groebke-Zbinden, K, 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 (2.4 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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5SEY
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![BU of 5sey by Molmil](/molmil-images/mine/5sey) | Crystal Structure of human phosphodiesterase 10 in complex with [2-cyclopropyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl]methanol | 分子名称: | MAGNESIUM ION, ZINC ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ... | 著者 | Joseph, C, Groebke-Zbinden, K, 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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5SG9
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![BU of 5sg9 by Molmil](/molmil-images/mine/5sg9) | Crystal Structure of human phosphodiesterase 10 in complex with 2-[(E)-2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)ethenyl]quinoline | 分子名称: | 2-{(E)-2-[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]ethenyl}quinoline, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Neidhart, W, 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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5SGQ
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![BU of 5sgq by Molmil](/molmil-images/mine/5sgq) | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxylic acid | 分子名称: | 6-cyclopropyl-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxylic acid, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Benz, J, Flohr, A, Koerner, M, 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 (2.04 Å) | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex To be published
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5SF0
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![BU of 5sf0 by Molmil](/molmil-images/mine/5sf0) | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-(3-pyridin-2-yl-1H-pyrazol-5-yl)pyrazole-3-carboxamide | 分子名称: | 4-(azetidine-1-carbonyl)-1-methyl-N-[5-(pyridin-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide, GLYCEROL, MAGNESIUM ION, ... | 著者 | Joseph, C, Peters, J.U, 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 (2.1 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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