7QF7
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7QFB
| Crystal structure of Protein Phosphatase 1 in complex with PP1-binding peptide from PTG | 分子名称: | GLYCEROL, MANGANESE (II) ION, Protein phosphatase 1 regulatory subunit 3C, ... | 著者 | Semrau, M.S, Storici, P, Lolli, G. | 登録日 | 2021-12-05 | 公開日 | 2022-11-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Molecular architecture of the glycogen- committed PP1/PTG holoenzyme. Nat Commun, 13, 2022
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4R50
| Crystal Structure of CNG mimicking NaK-ETPP mutant cocrystallized with Li+ | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, Potassium channel protein | 著者 | De March, M, Napolitano, L.M.R, Onesti, S. | 登録日 | 2014-08-20 | 公開日 | 2015-07-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels. Proc.Natl.Acad.Sci.USA, 112, 2015
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4R7C
| Crystal Structure of CNG mimicking NaK-ETPP mutant cocrystallized with DiMethylammonium | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYLAMINE, GLYCINE, ... | 著者 | De March, M, Napolitano, L.M.R, Onesti, S. | 登録日 | 2014-08-27 | 公開日 | 2015-07-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels. Proc.Natl.Acad.Sci.USA, 112, 2015
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4R6Z
| Crystal Structure of CNG mimicking NaK mutant, NaK-ETPP, Cs+ complex | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CESIUM ION, GLYCINE, ... | 著者 | De March, M, Napolitano, L.M.R, Onesti, S. | 登録日 | 2014-08-26 | 公開日 | 2015-07-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels. Proc.Natl.Acad.Sci.USA, 112, 2015
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4R8C
| Crystal Structure of CNG mimicking NaK-ETPP mutant in complex with Rb+ | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, Potassium channel protein, ... | 著者 | De March, M, Napolitano, L.M.R, Onesti, S. | 登録日 | 2014-09-01 | 公開日 | 2015-07-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels. Proc.Natl.Acad.Sci.USA, 112, 2015
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4RAI
| Crystal Structure of CNG mimicking NaK-ETPP mutant in complex with Na+ | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, Potassium channel protein, ... | 著者 | De March, M, Napolitano, L.M.R, Onesti, S. | 登録日 | 2014-09-10 | 公開日 | 2015-07-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels. Proc.Natl.Acad.Sci.USA, 112, 2015
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4RO2
| Crystal Structure of CNG mimicking NaK-ETPP mutant cocrystallized with Methylammonium | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, Potassium channel protein, ... | 著者 | De March, M, Napolitano, L.M.R, Onesti, S. | 登録日 | 2014-10-27 | 公開日 | 2015-07-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels. Proc.Natl.Acad.Sci.USA, 112, 2015
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8A5W
| Crystal structure of the human phosphoserine aminotransferase (PSAT) in complex with O-phosphoserine | 分子名称: | (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid, (2~{S})-2-[[(~{R})-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl]amino]-3-phosphonooxy-propanoic acid, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Costanzi, E, Demitri, N, Ullah, R, Marchesan, F, Peracchi, A, Zangelmi, E, Storici, P, Campanini, B. | 登録日 | 2022-06-16 | 公開日 | 2023-03-29 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | L-serine biosynthesis in the human central nervous system: Structure and function of phosphoserine aminotransferase. Protein Sci., 32, 2023
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8A5V
| Crystal structure of the human phosposerine aminotransferase (PSAT) | 分子名称: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Phosphoserine aminotransferase, SULFATE ION | 著者 | Costanzi, E, Demitri, N, Ullah, R, Marchesan, F, Peracchi, A, Zangelmi, E, Storici, P, Campanini, B. | 登録日 | 2022-06-16 | 公開日 | 2023-03-29 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | L-serine biosynthesis in the human central nervous system: Structure and function of phosphoserine aminotransferase. Protein Sci., 32, 2023
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6ZLB
| Thioredoxin glutathione reductase from Schistosoma mansoni in complex with Indole-3-carbinol | 分子名称: | 1~{H}-indol-3-ylmethanol, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | 登録日 | 2020-06-30 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
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6ZST
| Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 3-(3-methoxyquinoxalin-2-yl)propanoic acid | 分子名称: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | 登録日 | 2020-07-16 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
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6ZLP
| Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 4-Aminopiazthiole | 分子名称: | 2,1,3-benzothiadiazol-4-amine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | 著者 | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | 登録日 | 2020-06-30 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
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6ZP3
| Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 2-Methylindole-3-acetic acid | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid, CALCIUM ION, ... | 著者 | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | 登録日 | 2020-07-08 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
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7B02
| Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid | 分子名称: | 4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | 登録日 | 2020-11-18 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
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7AHW
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7ALY
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7AMX
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7BGO
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8OKL
| Crystal structure of F2F-2020185-01X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2023-03-28 | 公開日 | 2023-05-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
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8OKM
| Crystal structure of F2F-2020197-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2023-03-28 | 公開日 | 2023-05-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
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8OKK
| Crystal structure of F2F-2020184-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2023-03-28 | 公開日 | 2023-05-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
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8OKN
| Crystal structure of F2F-2020198-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2023-03-28 | 公開日 | 2023-05-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
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7Q5E
| Crystal structure of F2F-2020209-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | 分子名称: | 3C-like proteinase, CHLORIDE ION, SODIUM ION, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2021-11-03 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Easy access to alpha-ketoamides as SARS-CoV-2 and MERS M pro inhibitors via the PADAM oxidation route. Eur.J.Med.Chem., 244, 2022
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7Q5F
| Crystal structure of F2F-2020216-01X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | 分子名称: | (S)-1-(2-(2,4-dichlorophenoxy)acetyl)-N-((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 3C-like proteinase, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2021-11-03 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Easy access to alpha-ketoamides as SARS-CoV-2 and MERS M pro inhibitors via the PADAM oxidation route. Eur.J.Med.Chem., 244, 2022
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