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2OXX
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BU of 2oxx by Molmil
Protein kinase CK2 in complex with tetrabromobenzoimidazole derivatives K17, K22 and K32
分子名称: 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-THIONE, Casein kinase II subunit alpha
著者Battistutta, R, Zanotti, G, Cendron, L.
登録日2007-02-21
公開日2007-09-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: 4,5,6,7-TETRABROMO-BENZIMIDAZOLE, Casein kinase II subunit alpha
著者Battistutta, R, Zanotti, G, Cendron, L.
登録日2007-02-21
公開日2007-09-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.812 Å)
主引用文献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
分子名称: 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-ONE, Casein kinase II subunit alpha
著者Battistutta, R, Zanotti, G, Cendron, L.
登録日2007-02-20
公開日2007-09-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The ATP-Binding Site of Protein Kinase CK2 Holds a Positive Electrostatic Area and Conserved Water Molecules.
Chembiochem, 8, 2007
1B9C
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BU of 1b9c by Molmil
Green Fluorescent Protein Mutant F99S, M153T and V163A
分子名称: PROTEIN (GREEN FLUORESCENT PROTEIN)
著者Battistutta, R, Negro, A, Zanotti, G.
登録日1999-02-09
公開日2000-11-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure and refolding properties of the mutant F99S/M153T/V163A of the green fluorescent protein.
Proteins, 41, 2000
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.
分子名称: ADENOSINE MONOPHOSPHATE, CASEIN KINASE, ALPHA CHAIN, ...
著者Battistutta, R, Sarno, S, De Moliner, E, Marin, O, Zanotti, G, Pinna, L.A.
登録日2000-01-07
公開日2001-01-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献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
分子名称: 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, PROTEIN KINASE CK2, ALPHA SUBUNIT
著者Battistutta, R, Sarno, S, De Moliner, E, Papinutto, E, Zanotti, G, Pinna, L.A.
登録日2000-05-17
公開日2001-05-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献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
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
分子名称: 4,5,6,7-TETRABROMOBENZOTRIAZOLE, CASEIN KINASE II, ALPHA CHAIN
著者Battistutta, R, De Moliner, E, Sarno, S, Zanotti, G, Pinna, L.A.
登録日2001-05-23
公開日2002-05-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献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
分子名称: CASEIN KINASE II, ALPHA CHAIN
著者Battistutta, R, De Moliner, E, Sarno, S, Zanotti, G, Pinna, L.A.
登録日2001-05-31
公開日2002-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structural features underlying selective inhibition of protein kinase CK2 by ATP site-directed tetrabromo-2-benzotriazole.
Protein Sci., 10, 2001
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
分子名称: 1,2-ETHANEDIOL, 3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, ...
著者Battistutta, R, Papinutto, E, Lolli, G, Pierre, F, Haddach, M, Ryckman, D.M.
登録日2011-03-09
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
1ZOG
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BU of 1zog by Molmil
Crystal structure of protein kinase CK2 in complex with TBB-derivatives
分子名称: 4,5,6,7-TETRABROMO-2-(METHYLSULFANYL)-1H-BENZIMIDAZOLE, PROTEIN KINASE CK2, alpha SUBUNIT
著者Battistutta, R, Mazzorana, M, Sarno, S, Kazimierczuk, Z, Zanotti, G, Pinna, L.A.
登録日2005-05-13
公開日2005-11-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 5,6,7,8-TETRABROMO-1-METHYL-2,3-DIHYDRO-1H-IMIDAZO[1,2-A]BENZIMIDAZOLE, CHLORIDE ION, ...
著者Battistutta, R, Mazzorana, M, Sarno, S, Kazimierczuk, Z, Zanotti, G, Pinna, L.A.
登録日2005-05-13
公開日2005-11-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献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
分子名称: 4,5,6,7-TETRABROMO-N,N-DIMETHYL-1H-BENZIMIDAZOL-2-AMINE, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Battistutta, R, Mazzorana, M, Sarno, S, Kazimierczuk, Z, Zanotti, G, Pinna, L.A.
登録日2005-05-13
公開日2005-11-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Inspecting the structure-activity relationship of protein kinase CK2 inhibitors derived from tetrabromo-benzimidazole.
Chem.Biol., 12, 2005
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
分子名称: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION
著者Battistutta, R, Papinutto, E, Lolli, G, Pierre, F, Haddach, M, Ryckman, D.M.
登録日2010-10-25
公開日2011-09-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称: 5-[(3-ethynylphenyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION
著者Battistutta, R, Papinutto, E, Lolli, G, Pierre, F, Haddach, M, Ryckman, D.M.
登録日2010-10-25
公開日2011-09-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
6HNW
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BU of 6hnw by Molmil
Human protein kinase CK2 alpha in complex with coumestrol
分子名称: Casein kinase II subunit alpha, Coumestrol, SULFATE ION
著者Battistutta, R, Lolli, G.
登録日2018-09-17
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, Boldine, Casein kinase II subunit alpha, ...
著者Battistutta, R, Lolli, G.
登録日2018-09-17
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Inhibitory Properties of ATP-Competitive Coumestrol and Boldine Are Correlated to Different Modulations of CK2 Flexibility.
J.Nat.Prod., 82, 2019
8PUM
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BU of 8pum by Molmil
Tha1 L-threonine aldolase (mouse), monoclinic form (C2)
分子名称: L-threonine aldolase, SODIUM ION
著者Battistutta, R, Fornasier, E, Giachin, G.
登録日2023-07-17
公開日2024-03-20
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献One substrate many enzymes virtual screening uncovers missing genes of carnitine biosynthesis in human and mouse.
Nat Commun, 15, 2024
8PUS
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Tha1 L-threonine aldolase (mouse), orthorhombic form (F222)
分子名称: L-threonine aldolase
著者Battistutta, R, Fornasier, E, Giachin, G.
登録日2023-07-17
公開日2024-03-20
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献One substrate many enzymes virtual screening uncovers missing genes of carnitine biosynthesis in human and mouse.
Nat Commun, 15, 2024
6RB1
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BU of 6rb1 by Molmil
Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 1
分子名称: (~{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, ...
著者Battistutta, R, Lolli, G.
登録日2019-04-08
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A novel class of selective CK2 inhibitors targeting its open hinge conformation.
Eur.J.Med.Chem., 195, 2020
7NIJ
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BU of 7nij by Molmil
SARS-CoV-2 main protease (Mpro) in a novel conformational state.
分子名称: 3C-like proteinase nsp5
著者Battistutta, R, Fornasier, E, Giachin, G.
登録日2021-02-12
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献A new inactive conformation of SARS-CoV-2 main protease.
Acta Crystallogr D Struct Biol, 78, 2022
2QC6
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BU of 2qc6 by Molmil
Protein kinase CK2 in complex with DBC
分子名称: 3,8-DIBROMO-7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE, Casein kinase II subunit alpha
著者Battistutta, R.
登録日2007-06-19
公開日2008-02-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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
6HOP
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BU of 6hop by Molmil
Human protein kinase CK2 alpha in complex with curcumin degradation products
分子名称: (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal, (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one, 1,2-ETHANEDIOL, ...
著者Battistutta, R, Lolli, G.
登録日2018-09-18
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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
分子名称: (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ...
著者Battistutta, R, Lolli, G.
登録日2018-09-18
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020
6HOR
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BU of 6hor by Molmil
Human protein kinase CK2 alpha in complex with feruloylmethane
分子名称: (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ...
著者Battistutta, R, Lolli, G.
登録日2018-09-18
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 4-hydroxy-3-methoxybenzaldehyde, Casein kinase II subunit alpha, SULFATE ION
著者Battistutta, R, Lolli, G.
登録日2018-09-18
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020

 

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