4BYJ
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![BU of 4byj by Molmil](/molmil-images/mine/4byj) | Aurora A kinase bound to a highly selective imidazopyridine inhibitor | Descriptor: | (S)-N-(1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide, AURORA KINASE A | Authors: | Joshi, A, Kosmopoulou, M, Bayliss, R. | Deposit date: | 2013-07-19 | Release date: | 2013-11-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells. J.Med.Chem., 56, 2013
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4BYI
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![BU of 4byi by Molmil](/molmil-images/mine/4byi) | Aurora A kinase bound to a highly selective imidazopyridine inhibitor | Descriptor: | (S)-N-((1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide, AURORA KINASE A | Authors: | Joshi, A, Kosmopoulou, M, Bayliss, R. | Deposit date: | 2013-07-19 | Release date: | 2013-11-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells. J.Med.Chem., 56, 2013
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2WQE
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![BU of 2wqe by Molmil](/molmil-images/mine/2wqe) | Structure of S155R Aurora-A somatic mutant | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Bibby, R, Bayliss, R. | Deposit date: | 2009-08-20 | Release date: | 2009-09-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Cancer Associated Aurora-A Mutant is Mislocalised and Misregulated due to Loss of Interaction with Tpx2. J.Biol.Chem., 284, 2009
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5L8J
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![BU of 5l8j by Molmil](/molmil-images/mine/5l8j) | |
5L8L
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![BU of 5l8l by Molmil](/molmil-images/mine/5l8l) | |
5L8K
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![BU of 5l8k by Molmil](/molmil-images/mine/5l8k) | |
5LXM
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![BU of 5lxm by Molmil](/molmil-images/mine/5lxm) | |
6S75
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![BU of 6s75 by Molmil](/molmil-images/mine/6s75) | Crystal structure of Nek7 bound to compound 51 | Descriptor: | 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide, Serine/threonine-protein kinase Nek7 | Authors: | Nasir, N, Bayliss, R. | Deposit date: | 2019-07-04 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine. Biochem.J., 477, 2020
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6S76
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![BU of 6s76 by Molmil](/molmil-images/mine/6s76) | Crystal structure of human Nek7 | Descriptor: | DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase Nek7 | Authors: | Nasir, N, Bayliss, R. | Deposit date: | 2019-07-04 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.38 Å) | Cite: | Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine. Biochem.J., 477, 2020
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6SGK
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![BU of 6sgk by Molmil](/molmil-images/mine/6sgk) | Nek2 kinase bound to inhibitor 102 | Descriptor: | 2-phenylazanyl-9~{H}-purine-6-carbonitrile, Serine/threonine-protein kinase Nek2 | Authors: | Richards, M.W, Mas-Droux, C.P, Bayliss, R. | Deposit date: | 2019-08-05 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase. Rsc Med Chem, 11, 2020
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6SGD
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![BU of 6sgd by Molmil](/molmil-images/mine/6sgd) | Nek2 kinase covalently bound to 2-arylamino-6-ethynylpurine inhibitor 24 | Descriptor: | 4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SODIUM ION, ... | Authors: | Richards, M.W, Mas-Droux, C.P, Bayliss, R. | Deposit date: | 2019-08-04 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase. Rsc Med Chem, 11, 2020
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6SGI
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![BU of 6sgi by Molmil](/molmil-images/mine/6sgi) | Nek2 kinase bound to inhibitor 96 | Descriptor: | 4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, Serine/threonine-protein kinase Nek2 | Authors: | Richards, M.W, Mas-Droux, C.P, Bayliss, R. | Deposit date: | 2019-08-05 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase. Rsc Med Chem, 11, 2020
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6SGH
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![BU of 6sgh by Molmil](/molmil-images/mine/6sgh) | |
6S73
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![BU of 6s73 by Molmil](/molmil-images/mine/6s73) | Crystal structure of Nek7 SRS mutant bound to compound 51 | Descriptor: | 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide, Serine/threonine-protein kinase Nek7 | Authors: | Nasir, N, Byrne, M.J, Bhatia, C, Bayliss, R. | Deposit date: | 2019-07-04 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine. Biochem.J., 477, 2020
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4CV9
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![BU of 4cv9 by Molmil](/molmil-images/mine/4cv9) | MPS1 kinase with 3-aminopyridin-2-one inhibitors | Descriptor: | 1,2-ETHANEDIOL, 4-(4-Methylpiperazin-1-yl)-N-(2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin-3-yl)benzamide, DIMETHYL SULFOXIDE, ... | Authors: | Fearon, D, Bavetsias, V, Bayliss, R, Schmitt, J, Westwood, I.M, vanMontfort, R.L.M, Jones, K. | Deposit date: | 2014-03-24 | Release date: | 2015-04-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Protein Kinase Selectivity of a 3-Aminopyridin-2- One Based Fragment Library, Identification of 3-Amino-5-(Pyridin-4-Yl)Pyridin-2(1H)-One as a Novel Scaffold for Mps1 Inhibition To be Published
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4BN1
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![BU of 4bn1 by Molmil](/molmil-images/mine/4bn1) | Crystal structure of V174M mutant of Aurora-A kinase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, AURORA KINASE A, CALCIUM ION | Authors: | Bibby, R.A, Bayliss, R. | Deposit date: | 2013-05-13 | Release date: | 2014-03-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | Insights Into Aurora-A Kinase Activation Using Unnatural Amino Acids Incorporated by Chemical Modification. Acs Chem.Biol., 8, 2013
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4CEG
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![BU of 4ceg by Molmil](/molmil-images/mine/4ceg) | Crystal structure of Aurora A 122-403 C290A, C393A bound to ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, AURORA KINASE A, CHLORIDE ION, ... | Authors: | Burgess, S.G, Bayliss, R. | Deposit date: | 2013-11-11 | Release date: | 2015-01-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Structure of C290A:C393A Aurora a Provides Structural Insights Into Kinase Regulation. Acta Crystallogr.,Sect.F, 71, 2015
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4CI8
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![BU of 4ci8 by Molmil](/molmil-images/mine/4ci8) | |
4CGB
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![BU of 4cgb by Molmil](/molmil-images/mine/4cgb) | Crystal structure of the trimerization domain of EML2 | Descriptor: | ECHINODERM MICROTUBULE-ASSOCIATED PROTEIN-LIKE 2, GLYCEROL, POTASSIUM ION | Authors: | Richards, M.W, Bayliss, R. | Deposit date: | 2013-11-21 | Release date: | 2014-12-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.154 Å) | Cite: | Microtubule Association of Eml Proteins and the Eml4-Alk Variant 3 Oncoprotein Require an N-Terminal Trimerization Domain. Biochem.J., 467, 2015
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4B0G
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![BU of 4b0g by Molmil](/molmil-images/mine/4b0g) | Complex of Aurora-A bound to an Imidazopyridine-based inhibitor | Descriptor: | 6-bromo-2-(1-methyl-1H-imidazol-5-yl)-7-{4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl}-1H-imidazo[4,5-b]pyridine, AURORA KINASE A, SULFATE ION | Authors: | Kosmopoulou, M, Bayliss, R. | Deposit date: | 2012-07-02 | Release date: | 2013-03-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Optimization of Imidazo[4,5-B]Pyridine-Based Kinase Inhibitors: Identification of a Dual Flt3/Aurora Kinase Inhibitor as an Orally Bioavailable Preclinical Development Candidate for the Treatment of Acute Myeloid Leukemia. J.Med.Chem., 55, 2012
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4CGC
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![BU of 4cgc by Molmil](/molmil-images/mine/4cgc) | |
4CVA
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![BU of 4cva by Molmil](/molmil-images/mine/4cva) | MPS1 kinase with 3-aminopyridin-2-one inhibitors | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | Authors: | Fearon, D, Bavetsias, V, Bayliss, R, Schmitt, J, Westwood, I.M, vanMontfort, R.L.M, Jones, K. | Deposit date: | 2014-03-24 | Release date: | 2015-04-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Protein Kinase Selectivity of a 3-Aminopyridin-2- One Based Fragment Library, Identification of 3-Amino-5-(Pyridin-4-Yl)Pyridin-2(1H)-One as a Novel Scaffold for Mps1 Inhibition To be Published
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4CV8
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![BU of 4cv8 by Molmil](/molmil-images/mine/4cv8) | MPS1 kinase with 3-aminopyridin-2-one inhibitors | Descriptor: | 1,2-ETHANEDIOL, 3-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-2(1H)-one, DUAL SPECIFICITY PROTEIN KINASE TTK | Authors: | Fearon, D, Bavetsias, V, Bayliss, R, Schmitt, J, Westwood, I.M, vanMontfort, R.L.M, Jones, K. | Deposit date: | 2014-03-24 | Release date: | 2015-04-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Protein Kinase Selectivity of a 3-Aminopyridin-2- One Based Fragment Library, Identification of 3-Amino-5-(Pyridin-4-Yl)Pyridin-2(1H)-One as a Novel Scaffold for Mps1 Inhibition To be Published
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2XOC
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![BU of 2xoc by Molmil](/molmil-images/mine/2xoc) | C-terminal cysteine-rich domain of human CHFR bound to mADPr | Descriptor: | ADENINE, ADENOSINE-5'-DIPHOSPHATE, E3 UBIQUITIN-PROTEIN LIGASE CHFR, ... | Authors: | Oberoi, J, Bayliss, R. | Deposit date: | 2010-08-11 | Release date: | 2010-09-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural Basis of Poly(Adp-Ribose) Recognition by the Multizinc Binding Domain of Checkpoint with Forkhead-Associated and Ring Domains (Chfr). J.Biol.Chem., 285, 2010
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2XKD
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![BU of 2xkd by Molmil](/molmil-images/mine/2xkd) | Structure of Nek2 bound to aminopyrazine compound 12 | Descriptor: | 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | Authors: | Mas-Droux, C, Bayliss, R. | Deposit date: | 2010-07-07 | Release date: | 2010-10-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization. J.Med.Chem., 53, 2010
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