4C57
 
 | | Structure of GAK kinase in complex with a nanobody | | Descriptor: | (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, 1,2-ETHANEDIOL, Cyclin-G-associated kinase, ... | | Authors: | Chaikuad, A, Keates, T, Krojer, T, Allerston, C.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Muller-Knapp, S. | | Deposit date: | 2013-09-10 | | Release date: | 2013-10-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure of Cyclin G-Associated Kinase (Gak) Trapped in Different Conformations Using Nanobodies.
Biochem.J., 459, 2014
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4HNI
 | | crystal structure of ck1e in complex with PF4800567 | | Descriptor: | 3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Casein kinase I isoform epsilon, SULFATE ION | | Authors: | Huang, X, Long, A.M, Zhao, H. | | Deposit date: | 2012-10-19 | | Release date: | 2012-11-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Structural basis for the potent and selective inhibition of casein kinase 1 epsilon.
J.Med.Chem., 55, 2012
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4IAK
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4IAY
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4C58
 | | Structure of GAK kinase in complex with nanobody (NbGAK_4) | | Descriptor: | 1,2-ETHANEDIOL, 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, Cyclin-G-associated kinase, ... | | Authors: | Chaikuad, A, Keates, T, Allerston, C.K, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Muller-Knapp, S. | | Deposit date: | 2013-09-10 | | Release date: | 2013-10-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structure of cyclin G-associated kinase (GAK) trapped in different conformations using nanobodies.
Biochem. J., 459, 2014
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4BDA
 | | Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | | Descriptor: | 1,2-ETHANEDIOL, 3,4-dihydro[1,2,4]triazolo[1,5-a][3,1]benzimidazol-9-ium, CHLORIDE ION, ... | | Authors: | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | | Deposit date: | 2012-10-05 | | Release date: | 2013-06-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
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4BDK
 | | Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | | Descriptor: | 1,2-ETHANEDIOL, CHECKPOINT KINASE 2, N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide, ... | | Authors: | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | | Deposit date: | 2012-10-05 | | Release date: | 2013-06-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
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4BDG
 | | Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | | Descriptor: | 1,2-ETHANEDIOL, 3-(PYRIDIN-3-YL)-1H-PYRAZOL-5-AMINE, CHLORIDE ION, ... | | Authors: | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | | Deposit date: | 2012-10-05 | | Release date: | 2013-06-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
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4BI2
 | | Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | | Authors: | Langdon, S.R, Westwood, I.M, van Montfort, R.L.M, Brown, N, Blagg, J. | | Deposit date: | 2013-04-09 | | Release date: | 2013-05-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of Ttk Inhibitors.
J.Chem.Inf.Model, 53, 2013
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4BHZ
 | | Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | | Authors: | Langdon, S.R, Westwood, I.M, van Montfort, R.L.M, Brown, N, Blagg, J. | | Deposit date: | 2013-04-09 | | Release date: | 2013-05-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of Ttk Inhibitors.
J.Chem.Inf.Model, 53, 2013
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4AUA
 | | Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6) | | Descriptor: | 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone, CYCLIN-DEPENDENT KINASE 6 | | Authors: | Cho, Y.S, Angove, H, Brain, C, Chen, C.H.T, Cheng, R, Chopra, R, Chung, K, Congreve, M, Dagostin, C, Davis, D, Feltell, R, Giraldes, J, Hiscock, S, Kim, S, Kovats, S, Lagu, B, Lewry, K, Loo, A, Lu, Y, Luzzio, M, Maniara, W, Mcmenamin, R, Mortenson, P, Benning, R, O'Reilly, M, Rees, D, Shen, J, Smith, T, Wang, Y, Williams, G, Woolford, A, Wrona, W, Xu, M, Yang, F, Howard, S. | | Deposit date: | 2012-05-15 | | Release date: | 2013-02-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.
ACS Med Chem Lett, 3, 2012
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4I5H
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4AWI
 | | Human Jnk1alpha kinase with 4-phenyl-7-azaindole IKK2 inhibitor. | | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 8, N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-4-[2-(1-methylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide, SULFATE ION | | Authors: | Chung, C, Vicentini, G, Liddle, J, Bamborough, P. | | Deposit date: | 2012-06-03 | | Release date: | 2013-05-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | 4-Phenyl-7-Azaindoles as Potent, Selective and Bioavailable Ikk2 Inhibitors Demonstrating Good in Vivo Efficacy.
Bioorg.Med.Chem.Lett., 22, 2012
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4IAA
 | | Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine | | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Serine/threonine-protein kinase pim-1 | | Authors: | Zhang, W, Wan, X, Li, W, Xie, Y, Huang, N. | | Deposit date: | 2012-12-06 | | Release date: | 2013-12-18 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine
To be Published
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4IAF
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4IAN
 | | Crystal Structure of apo Human PRPF4B kinase domain | | Descriptor: | SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | | Authors: | Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L. | | Deposit date: | 2012-12-06 | | Release date: | 2013-08-28 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
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4DED
 | | Aurora A in complex with YL1-038-21 | | Descriptor: | 1,2-ETHANEDIOL, 2-({2-[(4-carbamoylphenyl)amino]pyrimidin-4-yl}amino)benzamide, Aurora kinase A | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2012-01-20 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors.
J.Med.Chem., 55, 2012
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4DG3
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4IB5
 | | Structure of human protein kinase CK2 catalytic subunit in complex with a CK2beta-competitive cyclic peptide | | Descriptor: | CHLORIDE ION, CK2beta-derived cyclic peptide, Casein kinase II subunit alpha, ... | | Authors: | Raaf, J, Guerra, B, Neundorf, I, Bopp, B, Issinger, O.-G, Jose, J, Pietsch, M, Niefind, K. | | Deposit date: | 2012-12-08 | | Release date: | 2013-03-20 | | Last modified: | 2013-06-05 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | First structure of protein kinase CK2 catalytic subunit with an effective CK2 beta-competitive ligand
Acs Chem.Biol., 8, 2013
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4DH5
 | | Room temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with high Mg2+, ADP, Phosphate, and IP20 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Kovalevsky, A.Y, Langan, P. | | Deposit date: | 2012-01-27 | | Release date: | 2012-06-27 | | Last modified: | 2013-01-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity.
Acta Crystallogr.,Sect.D, 68, 2012
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4DAW
 | | Crystal structure of PAK1 kinase domain with the ruthenium phthalimide complex | | Descriptor: | Serine/threonine-protein kinase PAK 1, [1,3-dioxo-6-(pyridin-2-yl-kappaN)-2,3-dihydro-1H-isoindol-5-yl-kappaC~5~][(thioxomethylidene)azanido-kappaN](1,4,7-trithionane-kappa~3~S~1~,S~4~,S~7~)ruthenium | | Authors: | Maksimoska, J, Marmorstein, R. | | Deposit date: | 2012-01-13 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The art of filling protein pockets efficiently with octahedral metal complexes.
Angew.Chem.Int.Ed.Engl., 51, 2012
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4HYS
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4I41
 | | Crystal Structure of human Ser/Thr kinase Pim1 in complex with mitoxantrone | | Descriptor: | 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, Serine/threonine-protein kinase pim-1 | | Authors: | Zhang, W, Wan, X, Xie, Y, Huang, N. | | Deposit date: | 2012-11-27 | | Release date: | 2013-12-11 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A new target for an old drug: identifying mitoxantrone as a nanomolar inhibitor of PIM1 kinase via kinome-wide selectivity modeling.
J. Med. Chem., 56, 2013
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4DEE
 | | Aurora A in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, MAGNESIUM ION | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2012-01-20 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors.
J.Med.Chem., 55, 2012
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3NNW
 | | Crystal structure of P38 alpha in complex with DP802 | | Descriptor: | 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14 | | Authors: | Abendroth, J. | | Deposit date: | 2010-06-24 | | Release date: | 2010-09-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
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