タイトル | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. |
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ジャーナル・号・ページ | Eur. J. Med. Chem., Vol. 250, Page 115177-115177, Year 2023 |
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掲載日 | 2022年12月18日 (構造データの登録日) |
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著者 | Nain-Perez, A. / Nilsson, O. / Lulla, A. / Haversen, L. / Brear, P. / Liljenberg, S. / Hyvonen, M. / Boren, J. / Grotli, M. |
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リンク | Eur. J. Med. Chem. / PubMed:36753880 |
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手法 | X線回折 |
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解像度 | 1.655 - 2.774 Å |
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構造データ | PDB-7frv: Structure of liver pyruvate kinase in complex with allosteric modulator 3 手法: X-RAY DIFFRACTION / 解像度: 2.004 Å PDB-7frw: Structure of liver pyruvate kinase in complex with allosteric modulator 4 手法: X-RAY DIFFRACTION / 解像度: 1.737 Å PDB-7frx: Structure of liver pyruvate kinase in complex with allosteric modulator 5 手法: X-RAY DIFFRACTION / 解像度: 1.847 Å PDB-7fry: Structure of liver pyruvate kinase in complex with allosteric modulator 6 手法: X-RAY DIFFRACTION / 解像度: 1.958 Å PDB-7frz: Structure of liver pyruvate kinase in complex with allosteric modulator 7 手法: X-RAY DIFFRACTION / 解像度: 2.085 Å PDB-7fs0: Structure of liver pyruvate kinase in complex with allosteric modulator 8 手法: X-RAY DIFFRACTION / 解像度: 2.412 Å PDB-7fs1: Structure of liver pyruvate kinase in complex with allosteric modulator 11 手法: X-RAY DIFFRACTION / 解像度: 1.863 Å PDB-7fs2: Structure of liver pyruvate kinase in complex with allosteric modulator 13 手法: X-RAY DIFFRACTION / 解像度: 2.374 Å PDB-7fs3: Structure of liver pyruvate kinase in complex with allosteric modulator 15 手法: X-RAY DIFFRACTION / 解像度: 1.655 Å PDB-7fs4: Structure of liver pyruvate kinase in complex with allosteric modulator 16 手法: X-RAY DIFFRACTION / 解像度: 2.19 Å PDB-7fs5: Structure of liver pyruvate kinase in complex with allosteric modulator 17 手法: X-RAY DIFFRACTION / 解像度: 2.182 Å PDB-7fs6: Structure of liver pyruvate kinase in complex with allosteric modulator 18 手法: X-RAY DIFFRACTION / 解像度: 2.241 Å PDB-7fs7: Structure of liver pyruvate kinase in complex with allosteric modulator 20 手法: X-RAY DIFFRACTION / 解像度: 2.774 Å PDB-7fs8: Structure of liver pyruvate kinase in complex with allosteric modulator 21 手法: X-RAY DIFFRACTION / 解像度: 2.098 Å PDB-7fs9: Structure of liver pyruvate kinase in complex with allosteric modulator 22 手法: X-RAY DIFFRACTION / 解像度: 1.721 Å PDB-7fsa: Structure of liver pyruvate kinase in complex with allosteric modulator 24 手法: X-RAY DIFFRACTION / 解像度: 1.909 Å PDB-7fsb: Structure of liver pyruvate kinase in complex with allosteric modulator 41 手法: X-RAY DIFFRACTION / 解像度: 2.495 Å PDB-7fsc: Structure of liver pyruvate kinase in complex with allosteric modulator 42 手法: X-RAY DIFFRACTION / 解像度: 1.855 Å PDB-7fsd: Structure of liver pyruvate kinase in complex with allosteric modulator 44 手法: X-RAY DIFFRACTION / 解像度: 1.769 Å |
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化合物 | ChemComp-OA0: (10aM)-3,8,9-trihydroxy-6H-6lambda~6~-dibenzo[c,e][1,2]oxathiine-6,6-dione
ChemComp-O88: N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3,4-dihydroxybenzene-1-sulfonamide
ChemComp-Y0T: N-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-3,4-dihydroxybenzene-1-sulfonamide
ChemComp-O99: 3,4-dihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}benzene-1-sulfonamide
ChemComp-O8X: 3,4-dihydroxy-N-{2-[4-(3-hydroxybenzene-1-sulfonyl)phenyl]ethyl}benzene-1-sulfonamide
ChemComp-O8F: (1P)-N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide
ChemComp-O7X: (1P)-3',4,4',5-tetrahydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide
ChemComp-O9I: N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-4,4',5-trihydroxy[1,1'-biphenyl]-2-sulfonamide
ChemComp-O9R: 4,4',5-trihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide
ChemComp-O8O: (10aP)-6-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione
ChemComp-Y3Z: (10aM)-6-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione
ChemComp-OAT: N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-N-(3,4-dihydroxyphenyl)-3,4-dihydroxybenzene-1-sulfonamide
ChemComp-O7F: 4-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol
ChemComp-OB0: 4-[4-(4-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol
ChemComp-OCU: (1M)-6-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl][1,1'-biphenyl]-3,3',4,4'-tetrol
ChemComp-OE0: N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3,4-dihydroxybenzene-1-sulfonamide
ChemComp-ODL: N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)benzenesulfonamide
ChemComp-OD9: (1M)-N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide
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由来 | homo sapiens (ヒト)
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キーワード | TRANSFERASE / Pyruvate kinase / active site / inhibition |
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