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PDB: 304 件
5OSR
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BU of 5osr by Molmil
The crystal structure of CK2alpha in complex with an analogue of compound 1
分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-18
公開日2018-09-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OSU
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BU of 5osu by Molmil
The crystal structure of CK2alpha in complex with analogues of compound 1
分子名称: ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-4-[2-methoxy-5-(trifluoromethyl)phenyl]phenyl]methanamine
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-18
公開日2018-09-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OUU
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BU of 5ouu by Molmil
The crystal structure of CK2alpha in complex with compound 22
分子名称: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-25
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OTR
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BU of 5otr by Molmil
The crystal structure of CK2alpha in complex with compound 14
分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-22
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5BXO
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BU of 5bxo by Molmil
Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide cp4n2m3
分子名称: 4,4'-propane-1,3-diylbis(1-methyl-1H-1,2,3-triazole), DIMETHYL SULFOXIDE, SULFATE ION, ...
著者Xu, W, Fischer, G, Hyvonen, M, Itzhaki, L.
登録日2015-06-09
公開日2016-06-29
最終更新日2023-03-29
実験手法X-RAY DIFFRACTION (1.334 Å)
主引用文献Macrocyclized Extended Peptides: Inhibiting the Substrate-Recognition Domain of Tankyrase.
J.Am.Chem.Soc., 139, 2017
6YPG
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BU of 6ypg by Molmil
Crystal Structure of CK2alpha with Compound 2 bound to second crystal form
分子名称: 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, Hyvonen, M.
登録日2020-04-16
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
6YPK
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BU of 6ypk by Molmil
Crystal Structure of CK2alpha with GTP bound
分子名称: Casein kinase II subunit alpha, GUANOSINE-5'-DIPHOSPHATE
著者Brear, P, Hyvonen, M.
登録日2020-04-16
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
5F91
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BU of 5f91 by Molmil
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator (N-(5-(azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide)
分子名称: CHLORIDE ION, FORMIC ACID, Fumarate hydratase class II, ...
著者Kasbekar, M, Fischer, G, Mott, B.T, Yasgar, A, Hyvonen, M, Boshoff, H.I, Abell, C, Barry, C.E, Thomas, C.J.
登録日2015-12-09
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Selective small molecule inhibitor of the Mycobacterium tuberculosis fumarate hydratase reveals an allosteric regulatory site.
Proc.Natl.Acad.Sci.USA, 113, 2016
2VQR
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BU of 2vqr by Molmil
Crystal structure of a phosphonate monoester hydrolase from rhizobium leguminosarum: a new member of the alkaline phosphatase superfamily
分子名称: ACETATE ION, CALCIUM ION, MANGANESE (II) ION, ...
著者Jonas, S, Hyvonen, M, Hollfelder, F.
登録日2008-03-18
公開日2008-09-30
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献A New Member of the Alkaline Phosphatase Superfamily with a Formylglycine Nucleophile: Structural and Kinetic Characterisation of a Phosphonate Monoester Hydrolase/Phosphodiesterase from Rhizobium Leguminosarum.
J.Mol.Biol., 384, 2008
3P35
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BU of 3p35 by Molmil
Polo-like kinase I Polo-box domain in complex with MQSpSPL phosphopeptide
分子名称: GLYCEROL, Serine/threonine-protein kinase PLK1, phosphopeptide
著者Sledz, P, Hyvonen, M, Abell, C.
登録日2010-10-04
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.09 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
3P37
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BU of 3p37 by Molmil
Polo-like kinase I Polo-box domain in complex with FDPPLHSpTA phosphopeptide from PBIP1
分子名称: GLYCEROL, Serine/threonine-protein kinase PLK1, phosphopeptide
著者Sledz, P, Hyvonen, M, Abell, C.
登録日2010-10-04
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.38 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
5SCK
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BU of 5sck by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 42
分子名称: 1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.717 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SCI
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BU of 5sci by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 105
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALATE ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.155 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SDT
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BU of 5sdt by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 15
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)-beta-alanine, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2022-01-20
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.944 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SCF
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BU of 5scf by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 99
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycine, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.185 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SCJ
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BU of 5scj by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 106
分子名称: (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioic acid, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.354 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SCG
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BU of 5scg by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 101
分子名称: (3R)-1-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.937 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SCB
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BU of 5scb by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 28
分子名称: (3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SC9
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BU of 5sc9 by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 29
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-4-carboxylic acid, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.685 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SCC
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BU of 5scc by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 57
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.885 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SCL
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BU of 5scl by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 1
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, ALIZARIN RED, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.134 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SCD
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BU of 5scd by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 58
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.041 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SCE
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BU of 5sce by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 55
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.147 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SCH
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BU of 5sch by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 100
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALATE ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SC8
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BU of 5sc8 by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 17
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 5-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)amino]pentanoic acid, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022

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