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5SFV
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BU of 5sfv by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-N-(1-cyclopentylpyrazol-3-yl)-2-methylpyrazole-3-carboxamide
分子名称: 4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-1H-pyrazol-3-yl)-1-methyl-1H-pyrazole-5-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 (2.41 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
5SEU
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BU of 5seu by Molmil
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
5SFZ
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BU of 5sfz by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-phenylpyrazol-3-yl)urea
分子名称: MAGNESIUM ION, N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-N'-(1-phenyl-1H-pyrazol-5-yl)urea, 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 (2.16 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SFY
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BU of 5sfy by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine
分子名称: (4S)-5,8-dimethyl-2-{(E)-2-[1-methyl-3-(1H-pyrazol-4-yl)-1H-1,2,4-triazol-5-yl]ethenyl}[1,2,4]triazolo[1,5-a]pyrazine, 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 (2.08 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
5SFC
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BU of 5sfc by Molmil
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
5SG1
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BU of 5sg1 by Molmil
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
5SFU
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BU of 5sfu by Molmil
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
5SG7
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BU of 5sg7 by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
分子名称: 3-[1-(2-fluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Brunner, 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 (2.3 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SGC
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BU of 5sgc by Molmil
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
5SG9
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BU of 5sg9 by Molmil
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
5SGE
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BU of 5sge by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 6H-imidazo[1,2-c]quinazolin-5-one
分子名称: (4R,10aP)-imidazo[1,2-c]quinazolin-5(6H)-one, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Hunkeler, 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 (2.2 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SGQ
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BU of 5sgq by Molmil
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
5SGG
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BU of 5sgg by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 2-[(4-chloro-3,5-dimethylpyridin-2-yl)methylsulfanyl]-6,7-dihydro-3H-furo[3,2-f]benzimidazole
分子名称: 2-{[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-6,7-dihydro-1H-furo[2,3-f]benzimidazole, 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 (2.09 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SH4
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BU of 5sh4 by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 6-[(5-methoxy-3,4,6-trimethylpyridin-2-yl)methylsulfanyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole
分子名称: 6-{[(5-methoxy-3,4,6-trimethylpyridin-2-yl)methyl]sulfanyl}-2H,5H-[1,3]dioxolo[4,5-f]benzimidazole, 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 (2.22 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SGL
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BU of 5sgl by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with N-[(E)-(4-bromo-3,5-dimethoxyphenyl)methylideneamino]-2-ethoxy-2-(4-pyrazol-1-ylphenyl)acetamide
分子名称: (2S)-N'-[(E)-(4-bromo-3,5-dimethoxyphenyl)methylidene]-2-ethoxy-2-[4-(1H-pyrazol-1-yl)phenyl]acetohydrazide, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Groebke-Zbinden, 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 (2.28 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SHL
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BU of 5shl by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 6-chloro-2,3-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine
分子名称: (4R)-6-chloro-2,3-dimethyl-8-(pyrrolidin-1-yl)imidazo[1,2-b]pyridazine, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Groebke-Zbinden, 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 (2.35 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SGK
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BU of 5sgk by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-[(7R)-2-(2-methylphenyl)-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-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide, 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 (2.13 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SGR
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BU of 5sgr by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 2-chloro-3-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline
分子名称: 2-chloro-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]quinoxaline, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Groebke-Zbinden, 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 (2.04 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SI5
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BU of 5si5 by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with N-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-7-yl)methanesulfonamide
分子名称: MAGNESIUM ION, N-[(10S)-2-methoxy-7-methyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-yl]methanesulfonamide, 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 (2.27 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SGV
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BU of 5sgv by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 1-benzyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
分子名称: 1-benzyl-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one, GLYCEROL, MAGNESIUM 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 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SIJ
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BU of 5sij by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 5,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
分子名称: 5,8-dimethyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Groebke-Zbinden, 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 (2.55 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SGX
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BU of 5sgx by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 5,8-dimethyl-2-[2-[2-methyl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
分子名称: (4S)-5,8-dimethyl-2-(2-{1-methyl-3-[(2R)-2-(trifluoromethyl)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, 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 (1.93 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJ3
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BU of 5sj3 by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with [1-(4-chlorophenyl)-3-methylthieno[2,3-c]pyrazol-5-yl]-piperidin-1-ylmethanone
分子名称: GLYCEROL, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Brunner, 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 (2.1 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SGY
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BU of 5sgy by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 4-chloro-2-(2-methylpropyl)-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-3-carboxamide
分子名称: 4-chloro-1-(2-methylpropyl)-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 (2.36 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SH2
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BU of 5sh2 by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide
分子名称: 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(morpholin-4-yl)-1,3-benzothiazol-5-yl]-1H-pyrazole-5-carboxamide, MAGNESIUM ION, 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 (2.19 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published

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件を2024-07-17に公開中

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