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6GDP
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BU of 6gdp by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 4l (F162)
分子名称: 2-azanyl-~{N}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide, ACETATE ION, GLYCEROL, ...
著者Pozzi, C, Landi, G, Mangani, S.
登録日2018-04-24
公開日2019-04-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
J.Med.Chem., 62, 2019
6GEX
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BU of 6gex by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 2h (F246)
分子名称: 4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{N}-(phenylmethyl)benzamide, ACETATE ION, GLYCEROL, ...
著者Pozzi, C, Landi, G, Mangani, S.
登録日2018-04-27
公開日2019-04-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
J.Med.Chem., 62, 2019
6GEY
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BU of 6gey by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 4g (F125)
分子名称: 2-azanyl-~{N}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Landi, G, Pozzi, C, Mangani, S.
登録日2018-04-27
公開日2019-04-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
J.Med.Chem., 62, 2019
6HOW
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BU of 6how by Molmil
Trypanosoma brucei PTR1 in complex with the triazine inhibitor 2a (F219).
分子名称: (2~{R})-1-(3,4-dichlorophenyl)-2-(4-nitrophenyl)-2~{H}-1,3,5-triazine-4,6-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase
著者Landi, G, Pozzi, C, Mangani, S.
登録日2018-09-18
公開日2019-05-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural Insights into the Development of Cycloguanil Derivatives asTrypanosoma bruceiPteridine-Reductase-1 Inhibitors.
Acs Infect Dis., 5, 2019
6HNR
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BU of 6hnr by Molmil
Trypanosoma brucei PTR1 in complex with the triazine inhibitor 1 (F217)
分子名称: 1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, GLYCEROL, ...
著者Landi, G, Pozzi, C, Mangani, S.
登録日2018-09-17
公開日2019-05-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural Insights into the Development of Cycloguanil Derivatives asTrypanosoma bruceiPteridine-Reductase-1 Inhibitors.
Acs Infect Dis., 5, 2019
6HNC
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BU of 6hnc by Molmil
Trypanosoma brucei PTR1 in complex with cycloguanil
分子名称: 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Landi, G, Pozzi, C, Mangani, S.
登録日2018-09-14
公開日2019-05-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Insights into the Development of Cycloguanil Derivatives asTrypanosoma bruceiPteridine-Reductase-1 Inhibitors.
Acs Infect Dis., 5, 2019
6GDO
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BU of 6gdo by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 2g (F240)
分子名称: ACETATE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Pozzi, C, Landi, G, Mangani, S.
登録日2018-04-24
公開日2019-04-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
J.Med.Chem., 62, 2019
6GD4
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BU of 6gd4 by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 4c (F188)
分子名称: 2-amino-1,3-benzothiazole-6-carboxamide, ACETATE ION, GLYCEROL, ...
著者Landi, G, Pozzi, C, Mangani, S.
登録日2018-04-21
公開日2019-04-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
J.Med.Chem., 62, 2019
7ALI
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BU of 7ali by Molmil
Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 at 1.65A resolution (spacegroup P2(1)).
分子名称: 3C-like proteinase
著者Costanzi, E, Demitri, N, Giabbai, B, Heroux, A, Storici, P.
登録日2020-10-06
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.
Int J Mol Sci, 22, 2021
7ALH
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BU of 7alh by Molmil
Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 at 1.65A resolution (spacegroup C2).
分子名称: 3C-like proteinase
著者Costanzi, E, Demitri, N, Giabbai, B, Heroux, A, Storici, P.
登録日2020-10-06
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.
Int J Mol Sci, 22, 2021
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件を2024-06-26に公開中

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