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8UF5
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BU of 8uf5 by Molmil
Catalytic domain of GtfB in complex with inhibitor G43
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Schormann, N, Deivanayagam, C, Velu, S.
登録日2023-10-03
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Discovery of Small Molecule Inhibitors of Cariogenic Virulence.
Sci Rep, 7, 2017
8FG8
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BU of 8fg8 by Molmil
Catalytic domain of GtfB in complex with inhibitor 2-[(2,4,5-Trihydroxyphenyl)methylidene]-1-benzofuran-3-one
分子名称: (2Z)-2-[(2,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3(2H)-one, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Schormann, N, Deivanayagam, C, Velu, S.
登録日2022-12-12
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Hydrogel-Encapsulated Biofilm Inhibitors Abrogate the Cariogenic Activity of Streptococcus mutans .
J.Med.Chem., 66, 2023
2H2Q
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BU of 2h2q by Molmil
Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate synthase
分子名称: 2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Senkovich, O, Schormann, N, Chattopadhyay, D.
登録日2006-05-19
公開日2008-04-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function.
Proteins, 73, 2008
3CL9
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BU of 3cl9 by Molmil
Structure of bifunctional TcDHFR-TS in complex with MTX
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase (DHFR-TS), ...
著者Schormann, N, Senkovich, O, Chattopadhyay, D.
登録日2008-03-18
公開日2009-01-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function.
Proteins, 73, 2008
3CLB
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BU of 3clb by Molmil
Structure of bifunctional TcDHFR-TS in complex with TMQ
分子名称: 1,2-ETHANEDIOL, DHFR-TS, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Schormann, N, Senkovich, O, Chattopadhyay, D.
登録日2008-03-18
公開日2009-01-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function.
Proteins, 73, 2008

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件を2024-06-12に公開中

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