1M2R
 
 | | Crystal structure of 5,8-di-amino-1,4-di-hydroxy-anthraquinone/CK2 kinase complex | | Descriptor: | 5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE, CASEIN kinase II, alpha chain | | Authors: | De Moliner, E, Moro, S, Sarno, S, Zagotto, G, Zanotti, G, Pinna, L.A, Battistutta, R. | | Deposit date: | 2002-06-25 | | Release date: | 2003-06-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibition of protein kinase CK2 by anthraquinone-related compounds. A
structural insight
J.Biol.Chem., 278, 2003
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1M2P
 | | Crystal structure of 1,8-di-hydroxy-4-nitro-anthraquinone/CK2 kinase complex | | Descriptor: | 1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE, Casein kinase II, alpha chain | | Authors: | De Moliner, E, Moro, S, Sarno, S, Zagotto, G, Zanotti, G, Pinna, L.A, Battistutta, R. | | Deposit date: | 2002-06-25 | | Release date: | 2003-06-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inhibition of protein kinase CK2 by anthraquinone-related compounds. A
structural insight
J.Biol.Chem., 278, 2003
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1M2Q
 | | Crystal structure of 1,8-di-hydroxy-4-nitro-xanten-9-one/CK2 kinase complex | | Descriptor: | 1,8-DI-HYDROXY-4-NITRO-XANTHEN-9-ONE, Casein kinase II, alpha chain | | Authors: | De Moliner, E, Sarno, S, Moro, S, Zagotto, G, Zanotti, G, Pinna, L.A, Battistutta, R. | | Deposit date: | 2002-06-25 | | Release date: | 2003-06-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Inhibition of protein kinase CK2 by anthraquinone-related compounds. A
structural insight
J.Biol.Chem., 278, 2003
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1MQ4
 | | Crystal Structure of Aurora-A Protein Kinase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, AURORA-RELATED KINASE 1, MAGNESIUM ION, ... | | Authors: | Nowakowski, J, Cronin, C.N, McRee, D.E, Knuth, M.W, Nelson, C, Pavletich, N.P, Rodgers, J, Sang, B.-C, Scheibe, D.N, Swanson, R.V, Thompson, D.A. | | Deposit date: | 2002-09-13 | | Release date: | 2003-09-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of the Cancer-Related Aurora-A, FAK and EphA2 Protein Kinases from Nanovolume Crystallography
Structure, 10, 2002
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1MUO
 | | CRYSTAL STRUCTURE OF AURORA-2, AN ONCOGENIC SERINE-THREONINE KINASE | | Descriptor: | ADENOSINE, Aurora-related kinase 1 | | Authors: | Cheetham, G.M.T, Knegtel, R.M.A, Coll, J.T, Renwick, S.B, Swenson, L, Weber, P, Lippke, J.A, Austen, D.A. | | Deposit date: | 2002-09-24 | | Release date: | 2003-04-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of Aurora-2, an Oncogenic Serine/Threonine Kinase
J.Biol.Chem., 277, 2002
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1MRU
 | | Intracellular Ser/Thr protein kinase domain of Mycobacterium tuberculosis PknB. | | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Probable serine/threonine-protein kinase pknB | | Authors: | Young, T.A, Delagoutte, B, Endrizzi, J.A, Alber, T, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2002-09-18 | | Release date: | 2003-02-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of Mycobacterium tuberculosis PknB supports a universal activation mechanism for Ser/Thr protein kinases.
Nat.Struct.Biol., 10, 2003
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1NA7
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1OB3
 | | Structure of P. falciparum PfPK5 | | Descriptor: | CELL DIVISION CONTROL PROTEIN 2 HOMOLOG | | Authors: | Holton, S, Merckx, A, Burgess, D, Doerig, C, Noble, M, Endicott, J. | | Deposit date: | 2003-01-24 | | Release date: | 2004-01-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of P. Falciparum Pfpk5 Test the Cdk Regulation Paradigm and Suggest Mechanisms of Small Molecule Inhibition
Structure, 11, 2003
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1NVQ
 | | The Complex Structure Of Checkpoint Kinase Chk1/UCN-01 | | Descriptor: | 7-HYDROXYSTAUROSPORINE, Peptide ASVSA, SULFATE ION, ... | | Authors: | Zhao, B, Bower, M.J, McDevitt, P.J, Zhao, H, Davis, S.T, Johanson, K.O, Green, S.M, Concha, N.O, Zhou, B.B. | | Deposit date: | 2003-02-04 | | Release date: | 2003-04-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for Chk1 Inhibition by UCN-01
J.Biol.Chem., 277, 2002
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1NY3
 | | Crystal structure of ADP bound to MAP KAP kinase 2 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAP kinase-activated protein kinase 2 | | Authors: | Underwood, K.W, Parris, K.D, Federico, E, Mosyak, L, Shane, T, Taylor, M, Svenson, K, Liu, Y, Hsiao, C.L, Wolfrom, S, Maguire, M, Malakian, K, Telliez, J.B, Lin, L.L, Kriz, R.W, Seehra, J, Somers, W.S, Stahl, M.L. | | Deposit date: | 2003-02-11 | | Release date: | 2003-10-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Catalytically active MAP KAP kinase 2 structures in complex with staurosporine and ADP reveal differences with the autoinhibited enzyme
Structure, 11, 2003
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8C2Z
 | | Crystal structure of DYRK1B in complex with AZ191 | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1B, MANGANESE (II) ION, N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine | | Authors: | Grygier, P, Pustelny, K, Dubin, G, Czarna, A. | | Deposit date: | 2022-12-23 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structural perspective on the design of selective DYRK1B inhibitors
To Be Published
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1E1X
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8CUR
 | | Crystal structure of Cdk2 in complex with Cyclin A inhibitor 6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid | | Descriptor: | 6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid, Cyclin-dependent kinase 2 | | Authors: | Tripathi, S.M, Tambo, C.S, Kiss, G, Rubin, S.M. | | Deposit date: | 2022-05-17 | | Release date: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Biolayer Interferometry Assay for Cyclin-Dependent Kinase-Cyclin Association Reveals Diverse Effects of Cdk2 Inhibitors on Cyclin Binding Kinetics.
Acs Chem.Biol., 18, 2023
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1DM2
 | | HUMAN CYCLIN-DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR HYMENIALDISINE | | Descriptor: | 1,2-ETHANEDIOL, 4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONE, CYCLIN-DEPENDENT KINASE 2 | | Authors: | Thunnissen, A.M, Kim, S.-H. | | Deposit date: | 1999-12-13 | | Release date: | 2000-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibition of cyclin-dependent kinases, GSK-3beta and CK1 by hymenialdisine, a marine sponge constituent.
Chem.Biol., 7, 2000
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1DS5
 | | 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
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7U31
 | | Crystal structure of human GSK3B in complex with G5 | | Descriptor: | 5-(4-fluorophenyl)-4-[1-(methanesulfonyl)azetidin-3-yl]pyrimidin-2-amine, CHLORIDE ION, Glycogen synthase kinase-3 beta | | Authors: | Tripathi, S.K, Balboni, B, Giabbai, B, Storici, P, Girotto, S, Cavalli, A. | | Deposit date: | 2022-02-25 | | Release date: | 2022-04-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Identification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays.
Int J Mol Sci, 23, 2022
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7U36
 | | Crystal structure of human GSK3B in complex with ARN1484 | | Descriptor: | (3S)-1-[(2-fluorophenoxy)acetyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide, CHLORIDE ION, Glycogen synthase kinase-3 beta | | Authors: | Tripathi, S.K, Balboni, B, Giabbai, B, Storici, P, Girotto, S, Cavalli, A. | | Deposit date: | 2022-02-25 | | Release date: | 2022-04-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Identification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays.
Int J Mol Sci, 23, 2022
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7U33
 | | Crystal structure of human GSK3B in complex with ARN9133 | | Descriptor: | 3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]-N,N-dimethylazetidine-1-sulfonamide, CHLORIDE ION, Glycogen synthase kinase-3 beta | | Authors: | Tripathi, S.K, Balboni, B, Giabbai, B, Storici, P, Girotto, S, Cavalli, A. | | Deposit date: | 2022-02-25 | | Release date: | 2022-04-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays.
Int J Mol Sci, 23, 2022
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7U2Z
 | | Crystal structure of human GSK3B in complex with G12 | | Descriptor: | (3R)-1-[3-(2-fluorophenyl)propanoyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide, CHLORIDE ION, Glycogen synthase kinase-3 beta | | Authors: | Tripathi, S.K, Balboni, B, Giabbai, B, Storici, P, Girotto, S, Cavalli, A. | | Deposit date: | 2022-02-25 | | Release date: | 2022-04-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Identification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays.
Int J Mol Sci, 23, 2022
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1E1V
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8CIE
 | | Crystal structure of the human CDKL5 kinase domain with compound YL-354 | | Descriptor: | 4-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-~{N}-piperidin-4-yl-1~{H}-pyrazole-3-carboxamide, Cyclin-dependent kinase-like 5, SULFATE ION | | Authors: | Richardson, W, Chen, X, Newman, J.A, Bakshi, S, Lakshminarayana, B, Brooke, L, Bullock, A.N. | | Deposit date: | 2023-02-09 | | Release date: | 2023-06-14 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a Potent and Selective CDKL5/GSK3 Chemical Probe That Is Neuroprotective.
Acs Chem Neurosci, 14, 2023
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8CIJ
 | | CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 2-[8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-isoquinolin-3-ylamino]-6-isopropyl-5,6-dihydro-4H-1,6,8a-triaza-azulen-7-one | | Descriptor: | 2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one, Mitogen-activated protein kinase kinase kinase kinase 1 | | Authors: | Musil, D, Toure, M. | | Deposit date: | 2023-02-09 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.821 Å) | | Cite: | Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023
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8CDW
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8C3R
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8C3Q
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