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1B9C
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BU of 1b9c by Molmil
Green Fluorescent Protein Mutant F99S, M153T and V163A
Descriptor: PROTEIN (GREEN FLUORESCENT PROTEIN)
Authors:Battistutta, R, Negro, A, Zanotti, G.
Deposit date:1999-02-09
Release date:2000-11-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure and refolding properties of the mutant F99S/M153T/V163A of the green fluorescent protein.
Proteins, 41, 2000
1J91
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BU of 1j91 by Molmil
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the ATP-competitive inhibitor 4,5,6,7-tetrabromobenzotriazole
Descriptor: 4,5,6,7-TETRABROMOBENZOTRIAZOLE, CASEIN KINASE II, ALPHA CHAIN
Authors:Battistutta, R, De Moliner, E, Sarno, S, Zanotti, G, Pinna, L.A.
Deposit date:2001-05-23
Release date:2002-05-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structural features underlying selective inhibition of protein kinase CK2 by ATP site-directed tetrabromo-2-benzotriazole.
Protein Sci., 10, 2001
1JAM
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BU of 1jam by Molmil
Crystal structure of apo-form of Z. Mays CK2 protein kinase alpha subunit
Descriptor: CASEIN KINASE II, ALPHA CHAIN
Authors:Battistutta, R, De Moliner, E, Sarno, S, Zanotti, G, Pinna, L.A.
Deposit date:2001-05-31
Release date:2002-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural features underlying selective inhibition of protein kinase CK2 by ATP site-directed tetrabromo-2-benzotriazole.
Protein Sci., 10, 2001
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
1DS5
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BU of 1ds5 by Molmil
DIMERIC CRYSTAL STRUCTURE OF THE ALPHA SUBUNIT IN COMPLEX WITH TWO BETA PEPTIDES MIMICKING THE ARCHITECTURE OF THE TETRAMERIC PROTEIN KINASE CK2 HOLOENZYME.
Descriptor: ADENOSINE MONOPHOSPHATE, CASEIN KINASE, ALPHA CHAIN, ...
Authors:Battistutta, R, Sarno, S, De Moliner, E, Marin, O, Zanotti, G, Pinna, L.A.
Deposit date:2000-01-07
Release date:2001-01-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:The crystal structure of the complex of Zea mays alpha subunit with a fragment of human beta subunit provides the clue to the architecture of protein kinase CK2 holoenzyme.
Eur.J.Biochem., 267, 2000
1F0Q
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BU of 1f0q by Molmil
CRYSTAL STRUCTURE OF THE ALPHA SUBUNIT OF PROTEIN KINASE CK2 IN COMPLEX WITH THE NUCLEOTIDE COMPETITIVE INHIBITOR EMODIN
Descriptor: 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, PROTEIN KINASE CK2, ALPHA SUBUNIT
Authors:Battistutta, R, Sarno, S, De Moliner, E, Papinutto, E, Zanotti, G, Pinna, L.A.
Deposit date:2000-05-17
Release date:2001-05-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:The replacement of ATP by the competitive inhibitor emodin induces conformational modifications in the catalytic site of protein kinase CK2.
J.Biol.Chem., 275, 2000
6HNW
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BU of 6hnw by Molmil
Human protein kinase CK2 alpha in complex with coumestrol
Descriptor: Casein kinase II subunit alpha, Coumestrol, SULFATE ION
Authors:Battistutta, R, Lolli, G.
Deposit date:2018-09-17
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibitory Properties of ATP-Competitive Coumestrol and Boldine Are Correlated to Different Modulations of CK2 Flexibility.
J.Nat.Prod., 82, 2019
6HNY
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BU of 6hny by Molmil
Human protein kinase CK2 alpha in complex with boldine
Descriptor: 1,2-ETHANEDIOL, Boldine, Casein kinase II subunit alpha, ...
Authors:Battistutta, R, Lolli, G.
Deposit date:2018-09-17
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibitory Properties of ATP-Competitive Coumestrol and Boldine Are Correlated to Different Modulations of CK2 Flexibility.
J.Nat.Prod., 82, 2019
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
3R0T
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BU of 3r0t by Molmil
Crystal structure of human protein kinase CK2 alpha subunit in complex with the inhibitor CX-5279
Descriptor: 1,2-ETHANEDIOL, 3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, ...
Authors:Battistutta, R, Papinutto, E, Lolli, G, Pierre, F, Haddach, M, Ryckman, D.M.
Deposit date:2011-03-09
Release date:2011-12-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer.
Biochemistry, 50, 2011
3PE1
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BU of 3pe1 by Molmil
Crystal structure of human protein kinase CK2 alpha subunit in complex with the inhibitor CX-4945
Descriptor: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION
Authors:Battistutta, R, Papinutto, E, Lolli, G, Pierre, F, Haddach, M, Ryckman, D.M.
Deposit date:2010-10-25
Release date:2011-09-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer.
Biochemistry, 50, 2011
3PE2
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BU of 3pe2 by Molmil
Crystal structure of human protein kinase CK2 in complex with the inhibitor CX-5011
Descriptor: 5-[(3-ethynylphenyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION
Authors:Battistutta, R, Papinutto, E, Lolli, G, Pierre, F, Haddach, M, Ryckman, D.M.
Deposit date:2010-10-25
Release date:2011-09-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer.
Biochemistry, 50, 2011
7NIJ
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BU of 7nij by Molmil
SARS-CoV-2 main protease (Mpro) in a novel conformational state.
Descriptor: 3C-like proteinase nsp5
Authors:Battistutta, R, Fornasier, E, Giachin, G.
Deposit date:2021-02-12
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A new inactive conformation of SARS-CoV-2 main protease.
Acta Crystallogr D Struct Biol, 78, 2022
6RB1
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BU of 6rb1 by Molmil
Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 1
Descriptor: (~{E})-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-~{N}-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ...
Authors:Battistutta, R, Lolli, G.
Deposit date:2019-04-08
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A novel class of selective CK2 inhibitors targeting its open hinge conformation.
Eur.J.Med.Chem., 195, 2020
6HOR
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BU of 6hor by Molmil
Human protein kinase CK2 alpha in complex with feruloylmethane
Descriptor: (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ...
Authors:Battistutta, R, Lolli, G.
Deposit date:2018-09-18
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020
6HOT
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BU of 6hot by Molmil
Human protein kinase CK2 alpha in complex with ferulic aldehyde
Descriptor: (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ...
Authors:Battistutta, R, Lolli, G.
Deposit date:2018-09-18
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020
6HOQ
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BU of 6hoq by Molmil
Human protein kinase CK2 alpha in complex with ferulic acid
Descriptor: 1,2-ETHANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, Casein kinase II subunit alpha, ...
Authors:Battistutta, R, Lolli, G.
Deposit date:2018-09-18
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020
6HOU
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BU of 6hou by Molmil
Human protein kinase CK2 alpha in complex with vanillin
Descriptor: 4-hydroxy-3-methoxybenzaldehyde, Casein kinase II subunit alpha, SULFATE ION
Authors:Battistutta, R, Lolli, G.
Deposit date:2018-09-18
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020
6HOP
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BU of 6hop by Molmil
Human protein kinase CK2 alpha in complex with curcumin degradation products
Descriptor: (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal, (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one, 1,2-ETHANEDIOL, ...
Authors:Battistutta, R, Lolli, G.
Deposit date:2018-09-18
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020
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
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

 

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