タイトル | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase. |
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ジャーナル・号・ページ | Eur. J. Med. Chem., Vol. 234, Page 114270-114270, Year 2022 |
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掲載日 | 2021年12月1日 (構造データの登録日) |
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著者 | Nain-Perez, A. / Foller Fuchtbauer, A. / Haversen, L. / Lulla, A. / Gao, C. / Matic, J. / Monjas, L. / Rodriguez, A. / Brear, P. / Kim, W. ...Nain-Perez, A. / Foller Fuchtbauer, A. / Haversen, L. / Lulla, A. / Gao, C. / Matic, J. / Monjas, L. / Rodriguez, A. / Brear, P. / Kim, W. / Hyvonen, M. / Boren, J. / Mardinoglu, A. / Uhlen, M. / Grotli, M. |
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リンク | Eur. J. Med. Chem. / PubMed:35290845 |
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手法 | X線回折 |
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解像度 | 1.685 - 2.354 Å |
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構造データ | PDB-5sc8: Structure of liver pyruvate kinase in complex with anthraquinone derivative 17 手法: X-RAY DIFFRACTION / 解像度: 1.77 Å PDB-5sc9: Structure of liver pyruvate kinase in complex with anthraquinone derivative 29 手法: X-RAY DIFFRACTION / 解像度: 1.685 Å PDB-5sca: Structure of liver pyruvate kinase in complex with anthraquinone derivative 36 手法: X-RAY DIFFRACTION / 解像度: 1.918 Å PDB-5scb: Structure of liver pyruvate kinase in complex with anthraquinone derivative 28 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-5scc: Structure of liver pyruvate kinase in complex with anthraquinone derivative 57 手法: X-RAY DIFFRACTION / 解像度: 1.885 Å PDB-5scd: Structure of liver pyruvate kinase in complex with anthraquinone derivative 58 手法: X-RAY DIFFRACTION / 解像度: 2.041 Å PDB-5sce: Structure of liver pyruvate kinase in complex with anthraquinone derivative 55 手法: X-RAY DIFFRACTION / 解像度: 2.147 Å PDB-5scf: Structure of liver pyruvate kinase in complex with anthraquinone derivative 99 手法: X-RAY DIFFRACTION / 解像度: 2.185 Å PDB-5scg: Structure of liver pyruvate kinase in complex with anthraquinone derivative 101 手法: X-RAY DIFFRACTION / 解像度: 1.937 Å PDB-5sch: Structure of liver pyruvate kinase in complex with anthraquinone derivative 100 手法: X-RAY DIFFRACTION / 解像度: 2.089 Å PDB-5sci: Structure of liver pyruvate kinase in complex with anthraquinone derivative 105 手法: X-RAY DIFFRACTION / 解像度: 2.155 Å PDB-5scj: Structure of liver pyruvate kinase in complex with anthraquinone derivative 106 手法: X-RAY DIFFRACTION / 解像度: 2.354 Å PDB-5sck: Structure of liver pyruvate kinase in complex with anthraquinone derivative 42 手法: X-RAY DIFFRACTION / 解像度: 1.717 Å PDB-5scl: Structure of liver pyruvate kinase in complex with anthraquinone derivative 1 手法: X-RAY DIFFRACTION / 解像度: 2.134 Å PDB-5sdt: Structure of liver pyruvate kinase in complex with anthraquinone derivative 15 手法: X-RAY DIFFRACTION / 解像度: 1.944 Å PDB-7qdn: Structure of human liver pyruvate kinase from which the B domain has been deleted 手法: X-RAY DIFFRACTION / 解像度: 1.695 Å PDB-7qzu: Structure of liver pyruvate kinase in complex with anthraquinone derivative 47 手法: X-RAY DIFFRACTION / 解像度: 1.964 Å |
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化合物 | ChemComp-E6K: 5-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)amino]pentanoic acid
ChemComp-I7K: 1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-4-carboxylic acid
ChemComp-I7N: N-[(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carbonyl]-L-aspartic acid
ChemComp-I7V: (3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid
ChemComp-I8Q: 4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
ChemComp-I8U: 3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
ChemComp-I8Y: 3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
ChemComp-I91: N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycine
ChemComp-I99: (3R)-1-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid
ChemComp-I9C: methyl N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycinate
ChemComp-I9F: dimethyl (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioate
ChemComp-I9K: (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioic acid
ChemComp-I9N: 1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione
ChemComp-I9Q: N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)-beta-alanine
ChemComp-I4L: (2~{S})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid
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由来 | - homo sapiens (ヒト)
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キーワード | TRANSFERASE/TRANSFERASE inhibitor / Pyruvate kinase / active site / inhibition / TRANSFERASE / TRANSFERASE-TRANSFERASE inhibitor complex / PKL / GLYCOLYSIS |
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