6GUC
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![BU of 6guc by Molmil](/molmil-images/mine/6guc) | CDK2/CyclinA in complex with SU9516 | Descriptor: | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE, Cyclin-A2, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | Deposit date: | 2018-06-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
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6GUE
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![BU of 6gue by Molmil](/molmil-images/mine/6gue) | CDK2/CyclinA in complex with AZD5438 | Descriptor: | 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | Deposit date: | 2018-06-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
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4YZD
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![BU of 4yzd by Molmil](/molmil-images/mine/4yzd) | Crystal Structure of human phosphorylated IRE1alpha in complex with ADP-Mg | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Concha, N.O. | Deposit date: | 2015-03-24 | Release date: | 2015-11-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | Long-Range Inhibitor-Induced Conformational Regulation of Human IRE1 alpha Endoribonuclease Activity. Mol.Pharmacol., 88, 2015
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4ZHX
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![BU of 4zhx by Molmil](/molmil-images/mine/4zhx) | Novel binding site for allosteric activation of AMPK | Descriptor: | (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol, 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-2, ... | Authors: | Langendorf, C.G, Ngoei, K.R, Issa, S.M.A, Ling, N, Gorman, M.A, Parker, M.W, Sakamoto, K, Scott, J.W, Oakhill, J.S, Kemp, B.E. | Deposit date: | 2015-04-27 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structural basis of allosteric and synergistic activation of AMPK by furan-2-phosphonic derivative C2 binding. Nat Commun, 7, 2016
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5ACB
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![BU of 5acb by Molmil](/molmil-images/mine/5acb) | Crystal Structure of the Human Cdk12-Cyclink Complex | Descriptor: | CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide | Authors: | Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Mackenzie, A, Goubin, S, Strain-Damerell, C, Mahajan, P, Tallant, C, Chalk, R, Wiggers, H, Kopec, J, Fitzpatrick, F, Burgess-Brown, N, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2015-08-14 | Release date: | 2016-06-15 | Last modified: | 2016-10-05 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Covalent Targeting of Remote Cysteine Residues to Develop Cdk12 and Cdk13 Inhibitors. Nat.Chem.Biol., 12, 2016
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4Z7H
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![BU of 4z7h by Molmil](/molmil-images/mine/4z7h) | |
4YZB
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![BU of 4yzb by Molmil](/molmil-images/mine/4yzb) | CDPK1 from Eimeria tenella in complex with inhibitor UW1521 | Descriptor: | 4-(6-ethoxynaphthalen-2-yl)-6-(piperazin-1-ylmethyl)-2H-indazol-3-amine, CALCIUM ION, Calmodulin-like domain protein kinase | Authors: | Merritt, E.A. | Deposit date: | 2015-03-24 | Release date: | 2016-04-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | CDPK is a druggable target in the apicomplexan parasite Eimeria to be published
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4Z7G
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5BNJ
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![BU of 5bnj by Molmil](/molmil-images/mine/5bnj) | CDK8/CYCC IN COMPLEX WITH 8-{3-Chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)-phenyl]-pyridin- 4-yl}-2,8-diaza-spiro[4.5]decan-1-one | Descriptor: | 8-{3-chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyridin-4-yl}-2,8-diazaspiro[4.5]decan-1-one, Cyclin-C, Cyclin-dependent kinase 8, ... | Authors: | Musil, D, Blagg, J, Wienke, D. | Deposit date: | 2015-05-26 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | A selective chemical probe for exploring the role of CDK8 and CDK19 in human disease. Nat.Chem.Biol., 11, 2015
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5CEI
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![BU of 5cei by Molmil](/molmil-images/mine/5cei) | Crystal structure of CDK8:Cyclin C complex with compound 22 | Descriptor: | 1,2-ETHANEDIOL, 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide, Cyclin-C, ... | Authors: | Kiefer, J.R, Schneider, E.V, Maskos, K, Koehler, M.F.T. | Deposit date: | 2015-07-06 | Release date: | 2016-02-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Development of a Potent, Specific CDK8 Kinase Inhibitor Which Phenocopies CDK8/19 Knockout Cells. Acs Med.Chem.Lett., 7, 2016
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5CYI
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![BU of 5cyi by Molmil](/molmil-images/mine/5cyi) | CDK2/Cyclin A covalent complex with 6-(cyclohexylmethoxy)-N-(4-(vinylsulfonyl)phenyl)-9H-purin-2-amine (NU6300) | Descriptor: | 6-(cyclohexylmethoxy)-N-[4-(ethylsulfonyl)phenyl]-9H-purin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2 | Authors: | Anscombe, E, Meschini, E, Vidal, R.M, Martin, M.P, Staunton, D, Geitmann, M, Danielson, U.H, Stanley, W.A, Wang, L.Z, Reuillon, T, Golding, B.T, Cano, C, Newell, D.R, Noble, M.E.M, Wedge, S.R, Endicott, J.A, Griffin, R.J. | Deposit date: | 2015-07-30 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification and Characterization of an Irreversible Inhibitor of CDK2. Chem.Biol., 22, 2015
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5CZO
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![BU of 5czo by Molmil](/molmil-images/mine/5czo) | Structure of S. cerevisiae Hrr25:Mam1 complex, form 2 | Descriptor: | Casein kinase I homolog HRR25, Monopolin complex subunit MAM1, ZINC ION | Authors: | Ye, Q, Corbett, K.D. | Deposit date: | 2015-07-31 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.894 Å) | Cite: | Structure of the Saccharomyces cerevisiae Hrr25:Mam1 monopolin subcomplex reveals a novel kinase regulator. Embo J., 35, 2016
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3UZT
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![BU of 3uzt by Molmil](/molmil-images/mine/3uzt) | |
3WF6
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![BU of 3wf6 by Molmil](/molmil-images/mine/3wf6) | Crystal structure of S6K1 kinase domain in complex with a pyrazolopyrimidine derivative 4-[4-(1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]-1H-pyrazolo[3,4-d]pyrimidine | Descriptor: | 4-[4-(1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]-1H-pyrazolo[3,4-d]pyrimidine, Ribosomal protein S6 kinase beta-1, ZINC ION | Authors: | Niwa, H, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-17 | Release date: | 2014-08-06 | Last modified: | 2014-10-29 | Method: | X-RAY DIFFRACTION (2.031 Å) | Cite: | Crystal structures of the S6K1 kinase domain in complexes with inhibitors J.Struct.Funct.Genom., 15, 2014
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3WF7
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![BU of 3wf7 by Molmil](/molmil-images/mine/3wf7) | Crystal structure of S6K1 kinase domain in complex with a purine derivative 1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide | Descriptor: | 1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide, GLYCEROL, Ribosomal protein S6 kinase beta-1, ... | Authors: | Niwa, H, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-17 | Release date: | 2014-08-06 | Last modified: | 2014-10-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structures of the S6K1 kinase domain in complexes with inhibitors J.Struct.Funct.Genom., 15, 2014
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3WF5
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![BU of 3wf5 by Molmil](/molmil-images/mine/3wf5) | Crystal structure of S6K1 kinase domain in complex with a pyrazolopyrimidine derivative 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine | Descriptor: | 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine, Ribosomal protein S6 kinase beta-1, ZINC ION | Authors: | Niwa, H, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-17 | Release date: | 2014-08-06 | Last modified: | 2014-10-29 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Crystal structures of the S6K1 kinase domain in complexes with inhibitors J.Struct.Funct.Genom., 15, 2014
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3WF8
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![BU of 3wf8 by Molmil](/molmil-images/mine/3wf8) | Crystal structure of S6K1 kinase domain in complex with a quinoline derivative 2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate | Descriptor: | 2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate, GLYCEROL, Ribosomal protein S6 kinase beta-1, ... | Authors: | Niwa, H, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-17 | Release date: | 2014-08-06 | Last modified: | 2014-10-29 | Method: | X-RAY DIFFRACTION (1.975 Å) | Cite: | Crystal structures of the S6K1 kinase domain in complexes with inhibitors J.Struct.Funct.Genom., 15, 2014
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3ZHP
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![BU of 3zhp by Molmil](/molmil-images/mine/3zhp) | Human MST3 (STK24) in complex with MO25beta | Descriptor: | CALCIUM-BINDING PROTEIN 39-LIKE, SERINE/THREONINE-PROTEIN KINASE 24, SULFATE ION | Authors: | Elkins, J.M, Szklarz, M, Krojer, T, Mehellou, Y, Alessi, D.R, Chaikaud, A, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | Deposit date: | 2012-12-24 | Release date: | 2013-01-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Insights Into the Activation of Mst3 by Mo25. Biochem.Biophys.Res.Commun., 431, 2013
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3ZH8
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![BU of 3zh8 by Molmil](/molmil-images/mine/3zh8) | A novel small molecule aPKC inhibitor | Descriptor: | (2S)-3-phenyl-N~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Kjaer, S, Purkiss, A.G, Kostelecky, B, Knowles, P.P, Soriano, E, Murray-Rust, J, McDonald, N.Q. | Deposit date: | 2012-12-20 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.739 Å) | Cite: | Adenosine-Binding Motif Mimicry and Cellular Effects of a Thieno[2,3-D]Pyrimidine-Based Chemical Inhibitor of Atypical Protein Kinase C Isozymes. Biochem.J., 451, 2013
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3WE4
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![BU of 3we4 by Molmil](/molmil-images/mine/3we4) | |
3V51
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![BU of 3v51 by Molmil](/molmil-images/mine/3v51) | |
3V5P
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![BU of 3v5p by Molmil](/molmil-images/mine/3v5p) | |
3UPX
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![BU of 3upx by Molmil](/molmil-images/mine/3upx) | |
3UZS
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![BU of 3uzs by Molmil](/molmil-images/mine/3uzs) | |
3ZTX
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![BU of 3ztx by Molmil](/molmil-images/mine/3ztx) | Aurora kinase selective inhibitors identified using a Taxol-induced checkpoint sensitivity screen. | Descriptor: | 2-((4-(4-HYDROXYPIPERIDIN-1-YL)PHENYL)AMINO)-5,11-DIMETHYL-5H-BENZO[E]PYRIMIDO [5,4-B][1,4]DIAZEPIN-6(11H)-ONE, INNER CENTROMERE PROTEIN A, SERINE/THREONINE-PROTEIN KINASE 12-A | Authors: | Kwiatkowski, N, Villa, F, Musacchio, A, Gray, N. | Deposit date: | 2011-07-12 | Release date: | 2012-02-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Selective Aurora Kinase Inhibitors Identified Using a Taxol- Induced Checkpoint Sensitivity Screen. Acs Chem.Biol., 7, 2012
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