3IW4
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![BU of 3iw4 by Molmil](/molmil-images/mine/3iw4) | Crystal structure of PKC alpha in complex with NVP-AEB071 | Descriptor: | 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-1H-pyrrole-2,5-dione, Protein kinase C alpha type | Authors: | Stark, W, Rummel, G, Strauss, A, Cowan-Jacob, S.W. | Deposit date: | 2009-09-02 | Release date: | 2009-11-03 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione (AEB071), a potent and selective inhibitor of protein kinase C isotypes J.Med.Chem., 52, 2009
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3FBV
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![BU of 3fbv by Molmil](/molmil-images/mine/3fbv) | Crystal structure of the oligomer formed by the kinase-ribonuclease domain of Ire1 | Descriptor: | N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Korennykh, A.V, Egea, P.F, Korostelev, A.A, Finer-Moore, J, Zhang, C, Shokat, K.M, Stroud, R.M, Walter, P. | Deposit date: | 2008-11-19 | Release date: | 2008-12-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The unfolded protein response signals through high-order assembly of Ire1. Nature, 457, 2009
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3IGO
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![BU of 3igo by Molmil](/molmil-images/mine/3igo) | Crystal structure of Cryptosporidium parvum CDPK1, cgd3_920 | Descriptor: | CALCIUM ION, Calmodulin-domain protein kinase 1, GLYCEROL, ... | Authors: | Wernimont, A.K, Artz, J.D, Finnerty, P, Amani, M, Allali-Hassanali, A, Vedadi, M, Tempel, W, MacKenzie, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Bochkarev, A, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-07-28 | Release date: | 2009-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium. Nat.Struct.Mol.Biol., 17, 2010
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3IEC
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![BU of 3iec by Molmil](/molmil-images/mine/3iec) | |
3I6W
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![BU of 3i6w by Molmil](/molmil-images/mine/3i6w) | |
2R0I
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![BU of 2r0i by Molmil](/molmil-images/mine/2r0i) | |
2QNJ
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![BU of 2qnj by Molmil](/molmil-images/mine/2qnj) | |
2R5T
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![BU of 2r5t by Molmil](/molmil-images/mine/2r5t) | Crystal Structure of Inactive Serum and Glucocorticoid- Regulated Kinase 1 in Complex with AMP-PNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... | Authors: | Zhao, B, Lehr, R, Smallwood, A.M, Ho, T.F, Maley, K, Randall, T, Head, M.S, Koretke, K.K, Schnackenberg, C.G. | Deposit date: | 2007-09-04 | Release date: | 2008-09-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the kinase domain of serum and glucocorticoid-regulated kinase 1 in complex with AMP PNP. Protein Sci., 16, 2007
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2WTK
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![BU of 2wtk by Molmil](/molmil-images/mine/2wtk) | |
2X7O
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![BU of 2x7o by Molmil](/molmil-images/mine/2x7o) | Crystal structure of TGFbRI complexed with an indolinone inhibitor | Descriptor: | (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE, TGF-BETA RECEPTOR TYPE I | Authors: | Roth, G.J, Heckel, A, Brandl, T, Grauert, M, Hoerer, S, Kley, J.T, Schnapp, G, Baum, P, Mennerich, D, Schnapp, A, Park, J.E. | Deposit date: | 2010-03-03 | Release date: | 2010-10-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Design, Synthesis and Evaluation of Indolinones as Inhibitors of the Transforming Growth Factor Beta Receptor I (Tgfbri) J.Med.Chem., 53, 2010
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2RIO
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![BU of 2rio by Molmil](/molmil-images/mine/2rio) | Structure of the dual enzyme Ire1 reveals the basis for catalysis and regulation of non-conventional splicing | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, STRONTIUM ION, ... | Authors: | Lee, K.P, Dey, M, Neculai, D, Cao, C, Dever, T.E, Sicheri, F. | Deposit date: | 2007-10-12 | Release date: | 2008-01-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the dual enzyme ire1 reveals the basis for catalysis and regulation in nonconventional RNA splicing. Cell(Cambridge,Mass.), 132, 2008
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2WZJ
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![BU of 2wzj by Molmil](/molmil-images/mine/2wzj) | Catalytic and UBA domain of kinase MARK2/(Par-1) K82R, T208E double mutant | Descriptor: | SERINE/THREONINE-PROTEIN KINASE MARK2 | Authors: | Panneerselvam, S, Marx, A, Mandelkow, E.-M, Mandelkow, E. | Deposit date: | 2009-11-30 | Release date: | 2009-12-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.786 Å) | Cite: | Structure and Function of Polarity-Inducing Kinase Family Mark/Par-1 within the Branch of Ampk/Snf1-Related Kinases. Faseb J., 24, 2010
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2X0G
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![BU of 2x0g by Molmil](/molmil-images/mine/2x0g) | X-RAY STRUCTURE OF A DAP-KINASE CALMODULIN COMPLEX | Descriptor: | CALCIUM ION, CALMODULIN, DEATH-ASSOCIATED PROTEIN KINASE 1, ... | Authors: | Kuper, J, De Diego, I, Lehmann, F, Wilmanns, M. | Deposit date: | 2009-12-08 | Release date: | 2010-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular Basis of the Death-Associated Protein Kinase-Calcium/Calmodulin Regulator Complex. Sci.Signal, 3, 2010
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2XH5
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![BU of 2xh5 by Molmil](/molmil-images/mine/2xh5) | Structure of 4-(4-tert-Butylbenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4- yl)piperidin-4-amine bound to PKB | Descriptor: | 4-(4-tert-butylbenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, GLYCOGEN SYNTHASE KINASE-3 BETA, RAC-BETA SERINE/THREONINE-PROTEIN KINASE | Authors: | Davies, T.G, McHardy, T, Caldwell, J.J, Cheung, K.M, Hunter, L.J, Taylor, K, Rowlands, M, Ruddle, R, Henley, A, Brandon, A.D, Valenti, M, Fazal, L, Seavers, L, Raynaud, F.I, Eccles, S.A, Aherne, G.W, Garrett, M.D, Collins, I. | Deposit date: | 2010-06-09 | Release date: | 2010-06-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Discovery of 4-Amino-1-(7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)Piperidine-4-Carboxamides as Selective, Orally Active Inhibitors of Protein Kinase B (Akt). J.Med.Chem., 53, 2010
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2UZB
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![BU of 2uzb by Molmil](/molmil-images/mine/2uzb) | Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | Descriptor: | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2 | Authors: | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | Deposit date: | 2007-04-27 | Release date: | 2007-06-26 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping. Bioorg.Med.Chem.Lett., 17, 2007
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2UZD
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![BU of 2uzd by Molmil](/molmil-images/mine/2uzd) | Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | Descriptor: | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | Authors: | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | Deposit date: | 2007-04-27 | Release date: | 2007-06-26 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping. Bioorg.Med.Chem.Lett., 17, 2007
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3A8W
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![BU of 3a8w by Molmil](/molmil-images/mine/3a8w) | Crystal Structure of PKCiota kinase domain | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Protein kinase C iota type, SULFATE ION | Authors: | Takimura, T, Kamata, K. | Deposit date: | 2009-10-11 | Release date: | 2010-05-05 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of the PKC-iota kinase domain in its ATP-bound and apo forms reveal defined structures of residues 533-551 in the C-terminal tail and their roles in ATP binding Acta Crystallogr.,Sect.D, 66, 2010
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2UZE
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![BU of 2uze by Molmil](/molmil-images/mine/2uze) | Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | Descriptor: | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | Authors: | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | Deposit date: | 2007-04-27 | Release date: | 2007-06-26 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping. Bioorg.Med.Chem.Lett., 17, 2007
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2Y4I
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![BU of 2y4i by Molmil](/molmil-images/mine/2y4i) | KSR2-MEK1 heterodimer | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, ... | Authors: | Brennan, D.F, Barford, D. | Deposit date: | 2011-01-06 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.46 Å) | Cite: | A Raf-Induced Allosteric Transition of Ksr Stimulates Ksr and Raf Phosphorylation of Mek Nature, 472, 2011
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2UZL
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![BU of 2uzl by Molmil](/molmil-images/mine/2uzl) | Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | Descriptor: | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | Authors: | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | Deposit date: | 2007-04-30 | Release date: | 2007-06-26 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping. Bioorg.Med.Chem.Lett., 17, 2007
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2V22
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![BU of 2v22 by Molmil](/molmil-images/mine/2v22) | REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N~2~-{[1-(4-CHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOL-3-YL]CARBONYL}-N~5~-(DIAMINOMETHYLIDENE)-L-ORNITHYL-L-LEUCYL-L-ISOLEUCYL-4-FLUORO-L-PHENYLALANINAMIDE | Authors: | Andrews, M.J, Kontopidis, G, McInnes, C, Plater, A, Innes, L, Cowan, A, Jewsbury, P, Fischer, P.M. | Deposit date: | 2007-05-31 | Release date: | 2008-01-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Replace: A Strategy for Iterative Design of Cyclin- Binding Groove Inhibitors Chembiochem, 7, 2006
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2V55
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![BU of 2v55 by Molmil](/molmil-images/mine/2v55) | Mechanism of multi-site phosphorylation from a ROCK-I:RhoE complex structure | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Komander, D, Garg, R, Wan, P.T.C, Ridley, A.J, Barford, D. | Deposit date: | 2008-10-01 | Release date: | 2008-11-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.705 Å) | Cite: | Mechanism of Multi-Site Phosphorylation from a Rock-I:Rhoe Complex Structure. Embo J., 27, 2008
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3A8X
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![BU of 3a8x by Molmil](/molmil-images/mine/3a8x) | Crystal Structure of PKCiota kinase domain | Descriptor: | Protein kinase C iota type, SULFATE ION | Authors: | Takimura, T, Kamata, K. | Deposit date: | 2009-10-11 | Release date: | 2010-05-05 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of the PKC-iota kinase domain in its ATP-bound and apo forms reveal defined structures of residues 533-551 in the C-terminal tail and their roles in ATP binding Acta Crystallogr.,Sect.D, 66, 2010
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2VGP
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![BU of 2vgp by Molmil](/molmil-images/mine/2vgp) | Crystal structure of Aurora B kinase in complex with a aminothiazole inhibitor | Descriptor: | 4-[(5-bromo-1,3-thiazol-2-yl)amino]-N-methylbenzamide, INNER CENTROMERE PROTEIN A, SERINE/THREONINE-PROTEIN KINASE 12-A | Authors: | Andersen, C.B, Wan, Y, Chang, J.W, Lee, C, Liu, Y, Sessa, F, Villa, F, Nallan, L, Musacchio, A, Gray, N.S. | Deposit date: | 2007-11-15 | Release date: | 2008-02-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of Selective Aminothiazole Aurora Kinase Inhibitors Acs Chem.Biol., 3, 2008
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2VGO
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![BU of 2vgo by Molmil](/molmil-images/mine/2vgo) | Crystal structure of Aurora B kinase in complex with Reversine inhibitor | Descriptor: | INNER CENTROMERE PROTEIN A, N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine, SERINE/THREONINE-PROTEIN KINASE 12-A | Authors: | D'Alise, A.M, Amabile, G, Iovino, M, Di Giorgio, F.P, Bartiromo, M, Sessa, F, Villa, F, Musacchio, A, Cortese, R. | Deposit date: | 2007-11-15 | Release date: | 2008-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Reversine, a Novel Aurora Kinases Inhibitor, Inhibits Colony Formation of Human Acute Myeloid Leukemia Cells. Mol.Cancer Ther., 7, 2008
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