7FS0
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![BU of 7fs0 by Molmil](/molmil-images/mine/7fs0) | Structure of liver pyruvate kinase in complex with allosteric modulator 8 | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 3,4-dihydroxy-N-{2-[4-(3-hydroxybenzene-1-sulfonyl)phenyl]ethyl}benzene-1-sulfonamide, MAGNESIUM ION, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.412 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FRY
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![BU of 7fry by Molmil](/molmil-images/mine/7fry) | Structure of liver pyruvate kinase in complex with allosteric modulator 6 | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-3,4-dihydroxybenzene-1-sulfonamide, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.958 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FS5
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![BU of 7fs5 by Molmil](/molmil-images/mine/7fs5) | Structure of liver pyruvate kinase in complex with allosteric modulator 17 | 分子名称: | (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, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.182 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FS7
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![BU of 7fs7 by Molmil](/molmil-images/mine/7fs7) | Structure of liver pyruvate kinase in complex with allosteric modulator 20 | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-N-(3,4-dihydroxyphenyl)-3,4-dihydroxybenzene-1-sulfonamide, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.774 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FS6
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![BU of 7fs6 by Molmil](/molmil-images/mine/7fs6) | Structure of liver pyruvate kinase in complex with allosteric modulator 18 | 分子名称: | (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, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.241 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FRZ
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![BU of 7frz by Molmil](/molmil-images/mine/7frz) | Structure of liver pyruvate kinase in complex with allosteric modulator 7 | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 3,4-dihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}benzene-1-sulfonamide, MAGNESIUM ION, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.085 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FRX
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![BU of 7frx by Molmil](/molmil-images/mine/7frx) | Structure of liver pyruvate kinase in complex with allosteric modulator 5 | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3,4-dihydroxybenzene-1-sulfonamide, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.847 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FSB
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![BU of 7fsb by Molmil](/molmil-images/mine/7fsb) | Structure of liver pyruvate kinase in complex with allosteric modulator 41 | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3,4-dihydroxybenzene-1-sulfonamide, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.495 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FRW
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![BU of 7frw by Molmil](/molmil-images/mine/7frw) | Structure of liver pyruvate kinase in complex with allosteric modulator 4 | 分子名称: | (10aM)-3,8,9-trihydroxy-6H-6lambda~6~-dibenzo[c,e][1,2]oxathiine-6,6-dione, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.737 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FS4
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![BU of 7fs4 by Molmil](/molmil-images/mine/7fs4) | Structure of liver pyruvate kinase in complex with allosteric modulator 16 | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4,4',5-trihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide, MAGNESIUM ION, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FS9
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![BU of 7fs9 by Molmil](/molmil-images/mine/7fs9) | Structure of liver pyruvate kinase in complex with allosteric modulator 22 | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[4-(4-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol, MAGNESIUM ION, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.721 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FSD
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![BU of 7fsd by Molmil](/molmil-images/mine/7fsd) | Structure of liver pyruvate kinase in complex with allosteric modulator 44 | 分子名称: | (1M)-N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.769 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FS2
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![BU of 7fs2 by Molmil](/molmil-images/mine/7fs2) | Structure of liver pyruvate kinase in complex with allosteric modulator 13 | 分子名称: | (1P)-3',4,4',5-tetrahydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.374 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FS8
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![BU of 7fs8 by Molmil](/molmil-images/mine/7fs8) | Structure of liver pyruvate kinase in complex with allosteric modulator 21 | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol, MAGNESIUM ION, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.098 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FSC
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![BU of 7fsc by Molmil](/molmil-images/mine/7fsc) | Structure of liver pyruvate kinase in complex with allosteric modulator 42 | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)benzenesulfonamide, ... | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | 登録日 | 2022-12-18 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.855 Å) | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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3Q1I
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![BU of 3q1i by Molmil](/molmil-images/mine/3q1i) | Polo-like kinase I Polo-box domain in complex with FMPPPMSpSM phosphopeptide from TCERG1 | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... | 著者 | Sledz, P, Hyvonen, M, Abell, C. | 登録日 | 2010-12-17 | 公開日 | 2011-04-27 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1 Angew.Chem.Int.Ed.Engl., 50, 2011
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4CYS
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![BU of 4cys by Molmil](/molmil-images/mine/4cys) | G6 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa, in complex with Phenylphosphonic acid | 分子名称: | AMMONIUM ION, ARYLSULFATASE, CALCIUM ION, ... | 著者 | Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F. | 登録日 | 2014-04-14 | 公開日 | 2015-04-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4CXS
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![BU of 4cxs by Molmil](/molmil-images/mine/4cxs) | G4 mutant of PAS, arylsulfatase from Pseudomonas aeruginosa, in complex with Phenylphosphonic acid | 分子名称: | ARYLSULFATASE, CALCIUM ION, SULFATE ION, ... | 著者 | Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F. | 登録日 | 2014-04-08 | 公開日 | 2015-05-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6Y3A
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![BU of 6y3a by Molmil](/molmil-images/mine/6y3a) | |
4CYR
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![BU of 4cyr by Molmil](/molmil-images/mine/4cyr) | G4 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa | 分子名称: | ARYLSULFATASE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F. | 登録日 | 2014-04-14 | 公開日 | 2015-04-29 | 最終更新日 | 2019-07-10 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7ZY0
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![BU of 7zy0 by Molmil](/molmil-images/mine/7zy0) | Crystal structure of compound 7 bound to CK2alpha | 分子名称: | 2-(5-bromanyl-1~{H}-indol-3-yl)ethanenitrile, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha | 著者 | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | 登録日 | 2022-05-23 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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6YPH
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7ZY8
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![BU of 7zy8 by Molmil](/molmil-images/mine/7zy8) | Crystal structure of compound 2 bound to CK2alpha | 分子名称: | 3-[3,5-bis(chloranyl)phenyl]propan-1-amine, ACETATE ION, Casein kinase II subunit alpha, ... | 著者 | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | 登録日 | 2022-05-24 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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7ZY5
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![BU of 7zy5 by Molmil](/molmil-images/mine/7zy5) | Crystal structure of compound 2 bound to CK2alpha | 分子名称: | 1-NAPHTHOL, ACETATE ION, Casein kinase II subunit alpha | 著者 | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | 登録日 | 2022-05-23 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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7ZY2
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![BU of 7zy2 by Molmil](/molmil-images/mine/7zy2) | Crystal structure of compound 7 bound to CK2alpha | 分子名称: | 5-bromanyl-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | 登録日 | 2022-05-23 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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