5OS8
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![BU of 5os8 by Molmil](/molmil-images/mine/5os8) | The crystal structure of CK2alpha in complex with compound 11 | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-17 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OTI
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![BU of 5oti by Molmil](/molmil-images/mine/5oti) | The crystal structure of CK2alpha in complex with compound 27 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, ~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{H}-benzimidazol-2-yl)ethanamine | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-22 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OTS
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![BU of 5ots by Molmil](/molmil-images/mine/5ots) | The crystal structure of CK2alpha in complex with an analogue of compound 22 | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)ethyl-[[3,5-bis(chloranyl)-4-phenyl-phenyl]methyl]azanium, Casein kinase II subunit alpha | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-22 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OTY
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![BU of 5oty by Molmil](/molmil-images/mine/5oty) | The crystal structure of CK2alpha in complex with CAM4712 | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-22 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5ORH
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![BU of 5orh by Molmil](/molmil-images/mine/5orh) | The crystal structure of CK2alpha in complex with compound 2 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-4-(2-methylphenyl)phenyl]methanamine | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-16 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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4AVH
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![BU of 4avh by Molmil](/molmil-images/mine/4avh) | Structure of the FimH lectin domain in the trigonal space group, in complex with a thioalkyl alpha-D-mannoside at 2.1 A resolution | Descriptor: | 3-(propylsulfanyl)propyl alpha-D-mannopyranoside, FIMH, NICKEL (II) ION, ... | Authors: | Wellens, A, Lahmann, M, Touaibia, M, Vaucher, J, Oscarson, S, Roy, R, Remaut, H, Bouckaert, J. | Deposit date: | 2012-05-26 | Release date: | 2012-06-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.105 Å) | Cite: | The Tyrosine Gate as a Potential Entropic Lever in the Receptor-Binding Site of the Bacterial Adhesin Fimh. Biochemistry, 51, 2012
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5OYF
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![BU of 5oyf by Molmil](/molmil-images/mine/5oyf) | The crystal structure of CK2alpha in complex with compound 31 | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methyl-phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-09-08 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OUE
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![BU of 5oue by Molmil](/molmil-images/mine/5oue) | The crystal structure of CK2alpha in complex with compound 20 | Descriptor: | (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-imidazol-4-yl)ethyl]azanium, 3-methyl-5-oxidanyl-benzoic acid, ACETATE ION, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-23 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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8BX1
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![BU of 8bx1 by Molmil](/molmil-images/mine/8bx1) | |
8BX2
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![BU of 8bx2 by Molmil](/molmil-images/mine/8bx2) | |
5OQU
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![BU of 5oqu by Molmil](/molmil-images/mine/5oqu) | The crystal structure of CK2alpha in complex with compound 5 | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-14 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.324 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OUL
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![BU of 5oul by Molmil](/molmil-images/mine/5oul) | The crystal structure of CK2alpha in complex with compound 9 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-4-(3-fluorophenyl)phenyl]methanamine, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-24 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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3ZFE
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![BU of 3zfe by Molmil](/molmil-images/mine/3zfe) | Human enterovirus 71 in complex with capsid binding inhibitor WIN51711 | Descriptor: | CHLORIDE ION, SODIUM ION, SPHINGOSINE, ... | Authors: | Plevka, P, Perera, R, Yap, M.L, Cardosa, J, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2012-12-11 | Release date: | 2013-03-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of Human Enterovirus 71 in Complex with a Capsid-Binding Inhibitor. Proc.Natl.Acad.Sci.USA, 110, 2013
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4D52
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![BU of 4d52 by Molmil](/molmil-images/mine/4d52) | CRYSTAL STRUCTURE OF FUCOSE BINDING LECTIN FROM ASPERGILLUS FUMIGATUS (AFL) IN COMPLEX WITH L-GALACTOPYRANOSE. | Descriptor: | DI(HYDROXYETHYL)ETHER, FUCOSE-SPECIFIC LECTIN FLEA, SODIUM ION, ... | Authors: | Houser, J, Cioci, G, Komarek, J, Wimmerowa, M, Kostlanova, N, Lahmann, M, Varrot, A, Imberty, A. | Deposit date: | 2014-11-01 | Release date: | 2015-03-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent. Acta Crystallogr.,Sect.D, 71, 2015
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4D4U
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![BU of 4d4u by Molmil](/molmil-images/mine/4d4u) | Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) in complex with LewisY tetrasaccharide. | Descriptor: | FUCOSE-SPECIFIC LECTIN FLEA, GLYCEROL, alpha-L-fucopyranose, ... | Authors: | Houser, J, Komarek, J, Kostlanova, N, Lahmann, M, Cioci, G, Varrot, A, Imberty, A, Wimmerova, M. | Deposit date: | 2014-10-31 | Release date: | 2015-03-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent. Acta Crystallogr.,Sect.D, 71, 2015
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5ORJ
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![BU of 5orj by Molmil](/molmil-images/mine/5orj) | The crystal structure of CK2alpha in complex with compound 3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, INOSITOL HEXAKISPHOSPHATE, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-16 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OTP
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![BU of 5otp by Molmil](/molmil-images/mine/5otp) | The crystal structure of CK2alpha in complex with an analogue of compound 22 | Descriptor: | 2-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-22 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OT5
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![BU of 5ot5 by Molmil](/molmil-images/mine/5ot5) | The crystal structure of CK2alpha in complex with compound 24 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-21 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OTD
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![BU of 5otd by Molmil](/molmil-images/mine/5otd) | The crystal structure of CK2alpha in complex with compound 25 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-21 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OTQ
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![BU of 5otq by Molmil](/molmil-images/mine/5otq) | The crystal structure of CK2alpha in complex with compound 33 | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-22 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OTZ
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![BU of 5otz by Molmil](/molmil-images/mine/5otz) | The crystal structure of CK2alpha in complex with compound 1 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, [3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-22 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5ORK
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![BU of 5ork by Molmil](/molmil-images/mine/5ork) | The crystal structure of CK2alpha in complex with compound 6 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-16 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.143 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OSL
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![BU of 5osl by Molmil](/molmil-images/mine/5osl) | The crystal structure of CK2alpha in complex with compound 7 | Descriptor: | 2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-17 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OSR
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![BU of 5osr by Molmil](/molmil-images/mine/5osr) | The crystal structure of CK2alpha in complex with an analogue of compound 1 | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-18 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OSU
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![BU of 5osu by Molmil](/molmil-images/mine/5osu) | The crystal structure of CK2alpha in complex with analogues of compound 1 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-4-[2-methoxy-5-(trifluoromethyl)phenyl]phenyl]methanamine | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-18 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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