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5ONI
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BU of 5oni by Molmil
LOW-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P
Descriptor: 1,4-BUTANEDIOL, 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, ...
Authors:Hochscherf, J, Lindenblatt, D, Witulski, B, Birus, R, Aichele, D, Marminon, C, Bouaziz, Z, Le Borgne, M, Jose, J, Niefind, K.
Deposit date:2017-08-03
Release date:2017-12-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Unexpected Binding Mode of a Potent Indeno[1,2-b]indole-Type Inhibitor of Protein Kinase CK2 Revealed by Complex Structures with the Catalytic Subunit CK2 alpha and Its Paralog CK2 alpha '.
Pharmaceuticals (Basel), 10, 2017
5OOI
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BU of 5ooi by Molmil
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA') IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P
Descriptor: 1,2-ETHANEDIOL, 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, ACETATE ION, ...
Authors:Hochscherf, J, Lindenblatt, D, Witulski, B, Birus, R, Aichele, D, Marminon, C, Bouaziz, Z, Le Borgne, M, Jose, J, Niefind, K.
Deposit date:2017-08-07
Release date:2017-12-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Unexpected Binding Mode of a Potent Indeno[1,2-b]indole-Type Inhibitor of Protein Kinase CK2 Revealed by Complex Structures with the Catalytic Subunit CK2 alpha and Its Paralog CK2 alpha '.
Pharmaceuticals (Basel), 10, 2017
6HBN
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BU of 6hbn by Molmil
HIGH-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA/CSKN2A1 GENE PRODUCT) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27
Descriptor: 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, Casein kinase II subunit alpha, ...
Authors:Niefind, K, Hochscherf, J, Dimper, V, Witulski, B, Lindenblatt, D, Jose, J, Le Borgne, M.
Deposit date:2018-08-10
Release date:2019-03-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
6HMD
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BU of 6hmd by Molmil
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR AR18
Descriptor: 1,2-ETHANEDIOL, 5-[2-(diethylamino)ethyl]-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, ...
Authors:Niefind, K, Lindenblatt, D, Jose, J, Le Borgne, M.
Deposit date:2018-09-12
Release date:2019-03-27
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (1 Å)
Cite:Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
6HMC
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BU of 6hmc by Molmil
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27
Descriptor: 1,2-ETHANEDIOL, 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, Casein kinase II subunit alpha'
Authors:Niefind, K, Lindenblatt, D, Dimper, V, Jose, J, Le Borgne, M.
Deposit date:2018-09-12
Release date:2019-03-27
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
6HME
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BU of 6hme by Molmil
LOW-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA; CSNK2A1 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27
Descriptor: 1,2-ETHANEDIOL, 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, ...
Authors:Niefind, K, Lindenblatt, D, Jose, J, Le Borgne, M.
Deposit date:2018-09-12
Release date:2019-03-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
6HMQ
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BU of 6hmq by Molmil
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE BENZOTRIAZOLE-TYPE INHIBITOR MB002
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, ...
Authors:Niefind, K, Lindenblatt, D, Applegate, V.M, Jose, J, Le Borgne, M.
Deposit date:2018-09-12
Release date:2019-03-27
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
6HMB
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BU of 6hmb by Molmil
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 Gene product) IN COMPLEX WITH the inhibitor CX-4945 (Silmitasertib)
Descriptor: 1,2-ETHANEDIOL, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, CHLORIDE ION, ...
Authors:Niefind, K, Lindenblatt, D, Applegate, V.M, Jose, J, Le Borgne, M.
Deposit date:2018-09-12
Release date:2019-03-27
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
5OMY
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BU of 5omy by Molmil
HIGH-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P
Descriptor: 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, Casein kinase II subunit alpha
Authors:Hochscherf, J, Lindenblatt, D, Witulski, B, Birus, R, Aichele, D, Marminon, C, Bouaziz, Z, Le Borgne, M, Jose, J, Niefind, K.
Deposit date:2017-08-02
Release date:2017-12-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Unexpected Binding Mode of a Potent Indeno[1,2-b]indole-Type Inhibitor of Protein Kinase CK2 Revealed by Complex Structures with the Catalytic Subunit CK2 alpha and Its Paralog CK2 alpha '.
Pharmaceuticals (Basel), 10, 2017
6FVG
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BU of 6fvg by Molmil
The Structure of CK2alpha with CCh507 bound
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate
Authors:Brear, P, Prudent, R, Laudet, B, Filhol, O, Cochet, C, Sautel, C, Moucadel, V, Bestgen, B, Engel, M, Ettaoussi, M, Lomberget, T, Le Borgne, M, Kufareva, I, Abagyan, R, Hyvonen, M.
Deposit date:2018-03-02
Release date:2019-06-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors.
Sci Rep, 9, 2019
6FVF
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BU of 6fvf by Molmil
The Structure of CK2alpha with CCh503 bound
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 5-fluoranyl-2-methoxy-1~{H}-indole-3-carboxylate
Authors:Brear, P, Prudent, R, Laudet, B, Filhol, O, Cochet, C, Sautel, C, Moucadel, V, Bestgen, B, Engel, M, Ettaoussi, M, Lomberget, T, Le Borgne, M, Kufareva, I, Abagyan, R, Hyvonen, M.
Deposit date:2018-03-02
Release date:2019-06-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors.
Sci Rep, 9, 2019
5O6O
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BU of 5o6o by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal 2,6-pyridinketone inhibitor
Descriptor: 17-beta-hydroxysteroid dehydrogenase 14, 2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Bertoletti, N, Heine, A, Braun, F, Klebe, G, Marchais-Oberwinkler, S.
Deposit date:2017-06-07
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
5O6Z
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BU of 5o6z by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor
Descriptor: (4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Bertoletti, N, Braun, F, Heine, A, Klebe, G, Marchais-Oberwinkler, S.
Deposit date:2017-06-07
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
5O6X
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BU of 5o6x by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor
Descriptor: (4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Bertoletti, N, Braun, F, Heine, A, Klebe, G, Marchais-Oberwinkler, S.
Deposit date:2017-06-07
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
5O7C
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BU of 5o7c by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor
Descriptor: 17-beta-hydroxysteroid dehydrogenase 14, 2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Bertoletti, N, Braun, F, Heine, A, Klebe, G, Marchais-Oberwinkler, S.
Deposit date:2017-06-08
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
5O43
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BU of 5o43 by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal 2,6-pyridinketone inhibitor.
Descriptor: 17-beta-hydroxysteroid dehydrogenase 14, 2-fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Bertoletti, N, Heine, A, Braun, F, Klebe, G, Marchais-Oberwinkler, S.
Deposit date:2017-05-25
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
5O72
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BU of 5o72 by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor
Descriptor: 17-beta-hydroxysteroid dehydrogenase 14, 2-azanyl-~{N}-[2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinolin-7-yl]ethanamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Bertoletti, N, Braun, F, Heine, A, Klebe, G, Marchais-Oberwinkler, S.
Deposit date:2017-06-07
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
5O42
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BU of 5o42 by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal 2,6-pyridinketone inhibitor.
Descriptor: 17-beta-hydroxysteroid dehydrogenase 14, 2-fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl)ethenyl]pyridin-2-yl]phenol, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Bertoletti, N, Heine, A, Braun, F, Klebe, G, Marchais-Oberwinkler, S.
Deposit date:2017-05-25
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
6TEW
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BU of 6tew by Molmil
Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor 27
Descriptor: 1,2-ETHANEDIOL, 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha'
Authors:Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A.
Deposit date:2019-11-12
Release date:2020-07-08
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.082 Å)
Cite:Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2.
J.Med.Chem., 63, 2020
6TEI
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BU of 6tei by Molmil
Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the 2-aminothiazole-type inhibitor 17
Descriptor: 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid, Casein kinase II subunit alpha, SULFATE ION
Authors:Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A.
Deposit date:2019-11-12
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.756 Å)
Cite:Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2.
J.Med.Chem., 63, 2020
6TGU
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BU of 6tgu by Molmil
Crystal structure of human protein kinase CK2alpha'(CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor Cl-OH-3
Descriptor: 1,2-ETHANEDIOL, 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha'
Authors:Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A.
Deposit date:2019-11-18
Release date:2020-07-08
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (0.833 Å)
Cite:Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2.
J.Med.Chem., 63, 2020
8QCD
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BU of 8qcd by Molmil
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE INHIBITOR 4,5,6,7-TETRABROMOBENZOTRIAZOLE
Descriptor: 1,2-ETHANEDIOL, 4,5,6,7-TETRABROMOBENZOTRIAZOLE, Casein kinase II subunit alpha'
Authors:Werner, C, Niefind, K.
Deposit date:2023-08-25
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool
Kinases Phosphatases, 2023
8QBU
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BU of 8qbu by Molmil
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE INHIBITOR CX-4945 AND THE ALPHA-D-POCKET LIGAND 3,4-DICHLORO PHENETHYLAMINE (DPA)
Descriptor: 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, ...
Authors:Werner, C, Niefind, K.
Deposit date:2023-08-25
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool
Kinases Phosphatases, 2023
8QF1
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BU of 8qf1 by Molmil
STRUCTURE OF THE CATALYTIC SUBUNIT OF PROTEIN KINASE CK2 (CK2ALPHA') IN COMPLEX WITH THE NON-HYDROLYZABLE GTP ANALOGUE GMPPNP
Descriptor: Casein kinase II subunit alpha', MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Werner, C, Lindenblatt, D, Niefind, K.
Deposit date:2023-09-01
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool
Kinases Phosphatases, 2023
8QCG
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BU of 8qcg by Molmil
STRUCTURE OF THE CATALYTIC SUBUNIT OF PROTEIN KINASE CK2 (CK2ALPHA') IN COMPLEX WITH THE NON-HYDROLYZABLE ATP ANALOGUE AMPPNP
Descriptor: Casein kinase II subunit alpha', MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Werner, C, Lindenblatt, D, Niefind, K.
Deposit date:2023-08-25
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool
Kinases Phosphatases, 2023

 

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