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3FL5
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BU of 3fl5 by Molmil
Protein kinase CK2 in complex with the inhibitor Quinalizarin
Descriptor: 1,2,5,8-tetrahydroxyanthracene-9,10-dione, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER
Authors:Mazzorana, M, Franchin, C, Battistutta, R.
Deposit date:2008-12-18
Release date:2009-08-18
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Quinalizarin as a potent, selective and cell-permeable inhibitor of protein kinase CK2
Biochem.J., 421, 2009
6FSW
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BU of 6fsw by Molmil
Structure of Archaeoglobus fulgidus SBDS protein at 1.9 Angstrom
Descriptor: DI(HYDROXYETHYL)ETHER, Ribosome maturation protein SDO1-like protein
Authors:Mazzorana, M, Foadi, J, Siliqi, D, Sanchez-Puig, N.
Deposit date:2018-02-20
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational flexibility of proteins involved in ribosome biogenesis: investigations via Small Angle X-ray Scattering (SAXS)
Crystals, 8, 2018
4A7C
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BU of 4a7c by Molmil
Crystal structure of PIM1 kinase with ETP46546
Descriptor: ACETATE ION, IMIDAZOLE, N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ...
Authors:Mazzorana, M, Montoya, G.
Deposit date:2011-11-12
Release date:2012-02-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Hit to Lead Evaluation of 1,2,3-Triazolo[4,5-B]Pyridines as Pim Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
8R5J
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BU of 8r5j by Molmil
Crystal structure of MERS-CoV main protease
Descriptor: Non-structural protein 11
Authors:Balcomb, B.H, Fairhead, M, Koekemoer, L, Lithgo, R.M, Aschenbrenner, J.C, Chandran, A.V, Godoy, A.S, Lukacik, P, Marples, P.G, Mazzorana, M, Ni, X, Strain-Damerell, C, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-11-16
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Crystal structure of MERS-CoV main protease
To Be Published
6QS5
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BU of 6qs5 by Molmil
Crystal Structure of maize CK2 in complex with tyrphostin AG99
Descriptor: (~{E})-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enamide, Casein kinase II subunit alpha
Authors:Lolli, G, Mazzorana, M, Battistutta, R.
Deposit date:2019-02-20
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.961 Å)
Cite:Inhibition of protein kinase CK2 by flavonoids and tyrphostins. A structural insight.
Biochemistry, 51, 2012
4DGM
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BU of 4dgm by Molmil
Crystal Structure of maize CK2 in complex with the inhibitor apigenin
Descriptor: 1,2-ETHANEDIOL, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Casein kinase II subunit alpha, ...
Authors:Lolli, G, Mazzorana, M, Battistutta, R.
Deposit date:2012-01-26
Release date:2012-08-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibition of protein kinase CK2 by flavonoids and tyrphostins. A structural insight.
Biochemistry, 51, 2012
4DGN
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BU of 4dgn by Molmil
Crystal Structure of maize CK2 in complex with the inhibitor luteolin
Descriptor: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Casein kinase II subunit alpha
Authors:Lolli, G, Mazzorana, M, Battistutta, R.
Deposit date:2012-01-26
Release date:2012-08-01
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Inhibition of protein kinase CK2 by flavonoids and tyrphostins. A structural insight.
Biochemistry, 51, 2012
8AGL
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BU of 8agl by Molmil
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with JMC31
Descriptor: 1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide, Heat shock protein HSP 90-alpha
Authors:Tassone, G, Pozzi, C, Mazzorana, M, Mangani, S, Maramai, S.
Deposit date:2022-07-20
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Characterization of Human Heat Shock Protein 90 N-Terminal Domain and Its Variants K112R and K112A in Complex with a Potent 1,2,3-Triazole-Based Inhibitor.
Int J Mol Sci, 23, 2022
8AGJ
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BU of 8agj by Molmil
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A in complex with JMC31
Descriptor: 1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide, Heat shock protein HSP 90-alpha
Authors:Tassone, G, Pozzi, C, Mazzorana, M, Mangani, S, Maramai, S.
Deposit date:2022-07-20
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural Characterization of Human Heat Shock Protein 90 N-Terminal Domain and Its Variants K112R and K112A in Complex with a Potent 1,2,3-Triazole-Based Inhibitor.
Int J Mol Sci, 23, 2022
8AGI
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BU of 8agi by Molmil
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) in complex with JMC31
Descriptor: 1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide, Heat shock protein HSP 90-alpha
Authors:Tassone, G, Pozzi, C, Mazzorana, M, Mangani, S, Maramai, S.
Deposit date:2022-07-20
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Characterization of Human Heat Shock Protein 90 N-Terminal Domain and Its Variants K112R and K112A in Complex with a Potent 1,2,3-Triazole-Based Inhibitor.
Int J Mol Sci, 23, 2022
3PWD
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BU of 3pwd by Molmil
Crystal structure of maize CK2 in complex with NBC (Z1)
Descriptor: 8-hydroxy-4-methyl-9-nitro-2H-benzo[g]chromen-2-one, Casein kinase II subunit alpha
Authors:Battistutta, R, Mazzorana, M.
Deposit date:2010-12-08
Release date:2011-11-02
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural features underlying the selectivity of the kinase inhibitors NBC and dNBC: role of a nitro group that discriminates between CK2 and DYRK1A
Cell.Mol.Life Sci., 69, 2012
1ZOG
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BU of 1zog by Molmil
Crystal structure of protein kinase CK2 in complex with TBB-derivatives
Descriptor: 4,5,6,7-TETRABROMO-2-(METHYLSULFANYL)-1H-BENZIMIDAZOLE, PROTEIN KINASE CK2, alpha SUBUNIT
Authors:Battistutta, R, Mazzorana, M, Sarno, S, Kazimierczuk, Z, Zanotti, G, Pinna, L.A.
Deposit date:2005-05-13
Release date:2005-11-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Inspecting the structure-activity relationship of protein kinase CK2 inhibitors derived from tetrabromo-benzimidazole.
Chem.Biol., 12, 2005
1ZOH
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BU of 1zoh by Molmil
Crystal structure of protein kinase CK2 in complex with TBB-derivatives inhibitors
Descriptor: 1,2-ETHANEDIOL, 5,6,7,8-TETRABROMO-1-METHYL-2,3-DIHYDRO-1H-IMIDAZO[1,2-A]BENZIMIDAZOLE, CHLORIDE ION, ...
Authors:Battistutta, R, Mazzorana, M, Sarno, S, Kazimierczuk, Z, Zanotti, G, Pinna, L.A.
Deposit date:2005-05-13
Release date:2005-11-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Inspecting the structure-activity relationship of protein kinase CK2 inhibitors derived from tetrabromo-benzimidazole.
Chem.Biol., 12, 2005
1ZOE
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BU of 1zoe by Molmil
Crystal structure of protein kinase CK2 in complex with TBB-derivatives inhibitors
Descriptor: 4,5,6,7-TETRABROMO-N,N-DIMETHYL-1H-BENZIMIDAZOL-2-AMINE, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Battistutta, R, Mazzorana, M, Sarno, S, Kazimierczuk, Z, Zanotti, G, Pinna, L.A.
Deposit date:2005-05-13
Release date:2005-11-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Inspecting the structure-activity relationship of protein kinase CK2 inhibitors derived from tetrabromo-benzimidazole.
Chem.Biol., 12, 2005
3KXM
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BU of 3kxm by Molmil
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor K74
Descriptor: Casein kinase II subunit alpha, N-methyl-2-[(4,5,6,7-tetrabromo-1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
Authors:Papinutto, E, Franchin, C, Battistutta, R.
Deposit date:2009-12-03
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
3KXG
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BU of 3kxg by Molmil
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor 3,4,5,6,7-pentabromo-1H-indazole (K64)
Descriptor: 3,4,5,6,7-pentabromo-1H-indazole, Casein kinase II subunit alpha
Authors:Papinutto, E, Franchin, C, Battistutta, R.
Deposit date:2009-12-03
Release date:2010-11-17
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
6YB7
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BU of 6yb7 by Molmil
SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19).
Descriptor: 3C-like proteinase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE
Authors:Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A.
Deposit date:2020-03-16
Release date:2020-03-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:COVID-19 main protease with unliganded active site
To Be Published
6Y84
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BU of 6y84 by Molmil
SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19)
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A.
Deposit date:2020-03-03
Release date:2020-03-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:COVID-19 main protease with unliganded active site
To Be Published
2OXX
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BU of 2oxx by Molmil
Protein kinase CK2 in complex with tetrabromobenzoimidazole derivatives K17, K22 and K32
Descriptor: 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-THIONE, Casein kinase II subunit alpha
Authors:Battistutta, R, Zanotti, G, Cendron, L.
Deposit date:2007-02-21
Release date:2007-09-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The ATP-Binding Site of Protein Kinase CK2 Holds a Positive Electrostatic Area and Conserved Water Molecules.
Chembiochem, 8, 2007
2OXY
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BU of 2oxy by Molmil
Protein kinase CK2 in complex with tetrabromobenzoimidazole derivatives K17, K22 and K32
Descriptor: 4,5,6,7-TETRABROMO-BENZIMIDAZOLE, Casein kinase II subunit alpha
Authors:Battistutta, R, Zanotti, G, Cendron, L.
Deposit date:2007-02-21
Release date:2007-09-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.812 Å)
Cite:The ATP-Binding Site of Protein Kinase CK2 Holds a Positive Electrostatic Area and Conserved Water Molecules.
Chembiochem, 8, 2007
2OXD
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BU of 2oxd by Molmil
Protein kinase CK2 in complex with tetrabromobenzoimidazole K17, K22 and K32 inhibitors
Descriptor: 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-ONE, Casein kinase II subunit alpha
Authors:Battistutta, R, Zanotti, G, Cendron, L.
Deposit date:2007-02-20
Release date:2007-09-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The ATP-Binding Site of Protein Kinase CK2 Holds a Positive Electrostatic Area and Conserved Water Molecules.
Chembiochem, 8, 2007
2QC6
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BU of 2qc6 by Molmil
Protein kinase CK2 in complex with DBC
Descriptor: 3,8-DIBROMO-7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE, Casein kinase II subunit alpha
Authors:Battistutta, R.
Deposit date:2007-06-19
Release date:2008-02-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Coumarin as attractive casein kinase 2 (CK2) inhibitor scaffold: an integrate approach to elucidate the putative binding motif and explain structure-activity relationships.
J.Med.Chem., 51, 2008
4ZBC
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BU of 4zbc by Molmil
A dehydrated form of glucose isomerase collected at 100K.
Descriptor: MANGANESE (II) ION, Xylose isomerase, alpha-D-glucopyranose, ...
Authors:Sandy, J.
Deposit date:2015-04-14
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:A generic protocol for protein crystal dehydration using the HC1b humidity controller.
Acta Crystallogr D Struct Biol, 72, 2016
4ZB5
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BU of 4zb5 by Molmil
A form of glucose isomerase collected at 100K.
Descriptor: MANGANESE (II) ION, Xylose isomerase, alpha-D-glucopyranose
Authors:Sandy, J.
Deposit date:2015-04-14
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:A generic protocol for protein crystal dehydration using the HC1b humidity controller.
Acta Crystallogr D Struct Biol, 72, 2016
4ZB0
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BU of 4zb0 by Molmil
A dehydrated form of glucose isomerase collected at room temperature.
Descriptor: MANGANESE (II) ION, Xylose isomerase, alpha-D-glucopyranose, ...
Authors:Sandy, J.
Deposit date:2015-04-14
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:A generic protocol for protein crystal dehydration using the HC1b humidity controller.
Acta Crystallogr D Struct Biol, 72, 2016

 

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