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
 | | 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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1UWR
 | | Structure of beta-glycosidase from Sulfolobus solfataricus in complex with 2-deoxy-2-fluoro-galactose | | Descriptor: | 2-deoxy-2-fluoro-alpha-D-galactopyranose, ACETATE ION, BETA-GALACTOSIDASE | | Authors: | Gloster, T.M, Roberts, S, Ducros, V.M.-A, Perugino, G, Rossi, M, Hoos, R, Moracci, M, Vasella, A, Davies, G.J. | | Deposit date: | 2004-02-11 | | Release date: | 2004-05-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structural Studies of the Beta-Glycosidase from Sulfolobus Solfataricus in Complex with Covalently and Noncovalently Bound Inhibitors.
Biochemistry, 43, 2004
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5OS7
 | | The crystal structure of CK2alpha in complex with compound 4 | | 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 (1.66 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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5OSZ
 | | The crystal structure of CK2alpha in complex with compound 23 | | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium, 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: | 2017-08-18 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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5OT6
 | | The crystal structure of CK2alpha in complex with compound 19 | | Descriptor: | (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-pyrrol-2-yl)ethyl]azanium, 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: | 2017-08-21 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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5OTL
 | | The crystal structure of CK2alpha in complex with compound 29 | | 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: | 2017-08-22 | | 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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5OUM
 | | The crystal structure of CK2alpha in complex with compound 21 | | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{H}-imidazol-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: | 2017-08-24 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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1UWT
 | | Structure of beta-glycosidase from Sulfolobus solfataricus in complex with D-galactohydroximo-1,5-lactam | | Descriptor: | (2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2-PIPERIDINONE, ACETATE ION, BETA-GALACTOSIDASE | | Authors: | Gloster, T.M, Roberts, S, Ducros, V.M.-A, Perugino, G, Rossi, M, Hoos, R, Moracci, M, Vasella, A, Davies, G.J. | | Deposit date: | 2004-02-11 | | Release date: | 2004-05-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural studies of the beta-glycosidase from Sulfolobus solfataricus in complex with covalently and noncovalently bound inhibitors.
Biochemistry, 43, 2004
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1UWS
 | | Structure of beta-glycosidase from Sulfolobus solfataricus in complex with 2-deoxy-2-fluoro-glucose | | Descriptor: | 2-deoxy-2-fluoro-alpha-D-glucopyranose, ACETATE ION, BETA-GALACTOSIDASE | | Authors: | Gloster, T.M, Roberts, S, Ducros, V.M.-A, Perugino, G, Rossi, M, Hoos, R, Moracci, M, Vasella, A, Davies, G.J. | | Deposit date: | 2004-02-11 | | Release date: | 2004-05-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural studies of the beta-glycosidase from Sulfolobus solfataricus in complex with covalently and noncovalently bound inhibitors.
Biochemistry, 43, 2004
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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
 | | 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
 | | 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
 | | 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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5OSP
 | | 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 (1.91 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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1UWU
 | | Structure of beta-glycosidase from Sulfolobus solfataricus in complex with D-glucohydroximo-1,5-lactam | | Descriptor: | (2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL, ACETATE ION, BETA-GALACTOSIDASE | | Authors: | Gloster, T.M, Roberts, S, Ducros, V.M.-A, Perugino, G, Rossi, M, Hoos, R, Moracci, M, Vasella, A, Davies, G.J. | | Deposit date: | 2004-02-11 | | Release date: | 2004-05-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural studies of the beta-glycosidase from Sulfolobus solfataricus in complex with covalently and noncovalently bound inhibitors.
Biochemistry, 43, 2004
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1UWQ
 | | Structure of beta-glycosidase from Sulfolobus solfataricus | | Descriptor: | ACETATE ION, BETA-GALACTOSIDASE | | Authors: | Gloster, T.M, Roberts, S, Ducros, V.M.-A, Perugino, G, Rossi, M, Hoos, R, Moracci, M, Vasella, A, Davies, G.J. | | Deposit date: | 2004-02-11 | | Release date: | 2004-05-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural studies of the beta-glycosidase from Sulfolobus solfataricus in complex with covalently and noncovalently bound inhibitors.
Biochemistry, 43, 2004
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2AYT
 | | The crystal structure of a protein disulfide oxidoreductase from aquifex aeolicus | | Descriptor: | GLYCEROL, SULFATE ION, glutaredoxin-like protein | | Authors: | Pedone, E, D'Ambrosio, K, De Simone, G, Rossi, M, Pedone, C, Bartolucci, S. | | Deposit date: | 2005-09-08 | | Release date: | 2006-07-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Insights on a new PDI-like family: structural and functional analysis of a protein disulfide oxidoreductase from the bacterium Aquifex aeolicus
J.Mol.Biol., 356, 2006
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5NN2
 | | The structure of the polo-box domain (PBD) of Plk1 in complex with Z228588490 | | Descriptor: | (3~{R},5~{R})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid, Serine/threonine-protein kinase PLK1 | | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | | Deposit date: | 2017-04-07 | | Release date: | 2018-02-21 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | A fragment-based approach to developing inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain.
To Be Published
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5NEI
 | | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with JES107 | | Descriptor: | 2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid, Serine/threonine-protein kinase PLK1 | | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | | Deposit date: | 2017-03-10 | | Release date: | 2018-02-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | A fragment-based approach to developing inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain.
To Be Published
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3S4J
 | | Human FDPS Synthase in Complex with a Rigid Analog of Risedronate | | Descriptor: | 6,7-dihydro-5H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid), Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Evdokimov, A.G, Barnett, B.L, Ebetino, F.H, Pokross, M. | | Deposit date: | 2011-05-19 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Human FDPS Synthase in Complex with a Rigid Analog of Risedronate
To be Published
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3RYE
 | | Human FDPS Synthase in Complex with a N-Methyl Pyridinum Bisphosphonate | | Descriptor: | 3-(2-hydroxy-2,2-diphosphonoethyl)-1-methylpyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Evdokimov, A.G, Barnett, B.L, Ebetino, F.H, Pokross, M. | | Deposit date: | 2011-05-11 | | Release date: | 2011-06-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Human FDPS Synthase in Complex with a N-Methyl Pyridinum Bisphosphonate
To be Published
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1LIQ
 | | Non-native Solution Structure of a fragment of the CH1 domain of CBP | | Descriptor: | CREB Binding Protein, ZINC ION | | Authors: | Sharpe, B.K, Matthews, J.M, Kwan, A.H.Y, Newton, A, Gell, D.A, Crossley, M, Mackay, J.P. | | Deposit date: | 2002-04-18 | | Release date: | 2002-05-29 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | A New Zinc Binding Fold Underlines the Versatility of Zinc Binding Modules in Protein Evolution
Structure, 10, 2002
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1MM3
 | | Solution structure of the 2nd PHD domain from Mi2b with C-terminal loop replaced by corresponding loop from WSTF | | Descriptor: | Mi2-beta(Chromodomain helicase-DNA-binding protein 4) and transcription factor WSTF, ZINC ION | | Authors: | Kwan, A.H.Y, Gell, D.A, Verger, A, Crossley, M, Matthews, J.M, Mackay, J.P. | | Deposit date: | 2002-09-02 | | Release date: | 2003-07-22 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Engineering a Protein Scaffold from a PHD Finger
structure, 11, 2003
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2OPX
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