4BCG
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![BU of 4bcg by Molmil](/molmil-images/mine/4bcg) | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1, ... | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-04-17 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (3.085 Å) | Cite: | Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities. J.Med.Chem., 56, 2013
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4BCO
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![BU of 4bco by Molmil](/molmil-images/mine/4bco) | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-01-09 | Last modified: | 2013-02-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
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4BCN
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![BU of 4bcn by Molmil](/molmil-images/mine/4bcn) | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
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4BCM
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![BU of 4bcm by Molmil](/molmil-images/mine/4bcm) | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 4-(4-methyl-2-methylimino-3H-1,3-thiazol-5-yl)-2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-03-06 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
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4BCI
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![BU of 4bci by Molmil](/molmil-images/mine/4bci) | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1 | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-01-09 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
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4BKZ
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![BU of 4bkz by Molmil](/molmil-images/mine/4bkz) | Crystal structure of unphosphorylated Maternal Embryonic Leucine zipper Kinase (MELK) in complex with a benzodipyrazole inhibitor | Descriptor: | MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE, N-(3-aminopropyl)-8-[(3-fluorophenyl)amino]-2,4,5,7-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide | Authors: | Canevari, G, Re Depaolini, S, Cucchi, U, Forte, B, Carpinelli, P, Bertrand, J.A. | Deposit date: | 2013-04-30 | Release date: | 2013-08-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Insight Into Maternal Embryonic Leucine Zipper Kinase (Melk) Conformation and Inhibition Towards Structure- Based Drug Design. Biochemistry, 52, 2013
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4D2T
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![BU of 4d2t by Molmil](/molmil-images/mine/4d2t) | Structure of MELK in complex with inhibitors | Descriptor: | 3-[2-(phenylcarbamoyl)-5-(1H-pyrazol-4-yl)phenoxy]propan-1-aminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | Deposit date: | 2014-05-13 | Release date: | 2014-10-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase Acs Med.Chem.Lett., 6, 2015
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4BCF
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![BU of 4bcf by Molmil](/molmil-images/mine/4bcf) | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1 | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-01-09 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (3.011 Å) | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
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4BCQ
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![BU of 4bcq by Molmil](/molmil-images/mine/4bcq) | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(morpholin-4-ylcarbonyl)phenyl]amino}pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2 | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-01-09 | Last modified: | 2013-02-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
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4AZW
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![BU of 4azw by Molmil](/molmil-images/mine/4azw) | Crystal structure of monomeric WbdD. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, S-ADENOSYLMETHIONINE, ... | Authors: | Hagelueken, G, Huang, H, Naismith, J.H. | Deposit date: | 2012-06-26 | Release date: | 2012-09-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Structure of Wbdd; a Bifunctional Kinase and Methyltransferase that Regulates the Chain Length of the O Antigen in Escherichia Coli O9A. Mol.Microbiol., 86, 2012
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4AZT
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![BU of 4azt by Molmil](/molmil-images/mine/4azt) | Co-crystal structure of WbdD and kinase inhibitor LY294002. | Descriptor: | 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE, CHLORIDE ION, METHYLTRANSFERASE WBDD, ... | Authors: | Hagelueken, G, Huang, H, Naismith, J.H. | Deposit date: | 2012-06-26 | Release date: | 2012-09-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structure of Wbdd; a Bifunctional Kinase and Methyltransferase that Regulates the Chain Length of the O Antigen in Escherichia Coli O9A. Mol.Microbiol., 86, 2012
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4AZV
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![BU of 4azv by Molmil](/molmil-images/mine/4azv) | Co-crystal structure of WbdD and kinase inhibitor GW435821x. | Descriptor: | CHLORIDE ION, S-ADENOSYLMETHIONINE, SULFATE ION, ... | Authors: | Hagelueken, G, Huang, H, Naismith, J.H. | Deposit date: | 2012-06-26 | Release date: | 2012-09-26 | Last modified: | 2013-02-06 | Method: | X-RAY DIFFRACTION (3.291 Å) | Cite: | Structure of Wbdd; a Bifunctional Kinase and Methyltransferase that Regulates the Chain Length of the O Antigen in Escherichia Coli O9A. Mol.Microbiol., 86, 2012
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4D2P
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![BU of 4d2p by Molmil](/molmil-images/mine/4d2p) | Structure of MELK in complex with inhibitors | Descriptor: | 7-({4-[(3-hydroxy-5-methoxyphenyl)amino]benzoyl}amino)-1,2,3,4-tetrahydroisoquinolinium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | Deposit date: | 2014-05-12 | Release date: | 2014-10-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase Acs Med.Chem.Lett., 6, 2015
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4C2W
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![BU of 4c2w by Molmil](/molmil-images/mine/4c2w) | Crystal structure of Aurora B in complex with AMP-PNP | Descriptor: | AURORA KINASE B-A, INNER CENTROMERE PROTEIN A, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Sessa, F, Villa, F. | Deposit date: | 2013-08-20 | Release date: | 2014-02-26 | Last modified: | 2014-03-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of Aurora B-Incenp in Complex with Barasertib Reveals a Potential Transinhibitory Mechanism Acta Crystallogr.,Sect.F, 70, 2014
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4CFN
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![BU of 4cfn by Molmil](/molmil-images/mine/4cfn) | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9H-purin-2-amine, CYCLIN-A2, ... | Authors: | Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R. | Deposit date: | 2013-11-19 | Release date: | 2013-12-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode. J.Med.Chem., 57, 2014
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4C2V
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![BU of 4c2v by Molmil](/molmil-images/mine/4c2v) | Aurora B kinase in complex with the specific inhibitor Barasertib | Descriptor: | 2-[5-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-3-yl]-N-(3-fluorophenyl)ethanamide, AURORA KINASE B-A, INNER CENTROMERE PROTEIN A | Authors: | Sessa, F, Villa, F. | Deposit date: | 2013-08-20 | Release date: | 2014-02-26 | Last modified: | 2014-03-19 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structure of Aurora B-Incenp in Complex with Barasertib Reveals a Potential Transinhibitory Mechanism Acta Crystallogr.,Sect.F, 70, 2014
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4E3C
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![BU of 4e3c by Molmil](/molmil-images/mine/4e3c) | X-ray crystal structure of human IKK2 in an active conformation | Descriptor: | Inhibitor of nuclear factor kappa-B kinase subunit beta | Authors: | Polley, S, Huang, D.B, Hauenstein, A.V, Ghosh, G, Huxford, T. | Deposit date: | 2012-03-09 | Release date: | 2013-06-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.98 Å) | Cite: | X-ray crystal structure of human IKK2 in an active conformation Plos.Biol., 2013
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4DC2
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![BU of 4dc2 by Molmil](/molmil-images/mine/4dc2) | Structure of PKC in Complex with a Substrate Peptide from Par-3 | Descriptor: | ADENINE, Partitioning defective 3 homolog, Protein kinase C iota type | Authors: | Shang, Y, Wang, C, Yu, J, Zhang, M. | Deposit date: | 2012-01-17 | Release date: | 2012-07-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Substrate recognition mechanism of atypical protein kinase Cs revealed by the structure of PKC iota in complex with a substrate peptide from Par-3 Structure, 20, 2012
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4BCH
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![BU of 4bch by Molmil](/molmil-images/mine/4bch) | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 4-(4-methyl-2-methylimino-3H-1,3-thiazol-5-yl)-2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1, ... | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-01-09 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (2.958 Å) | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
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4BCP
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![BU of 4bcp by Molmil](/molmil-images/mine/4bcp) | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-04-17 | Last modified: | 2013-08-07 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities. J.Med.Chem., 56, 2013
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4BCK
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![BU of 4bck by Molmil](/molmil-images/mine/4bck) | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-03-06 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
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4BCJ
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![BU of 4bcj by Molmil](/molmil-images/mine/4bcj) | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1 | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-01-09 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (3.162 Å) | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
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4BFM
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![BU of 4bfm by Molmil](/molmil-images/mine/4bfm) | The crystal structure of mouse PK38 | Descriptor: | MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION | Authors: | Yoo, J.H, Cho, Y.S, Park, S.M, Cho, H.S. | Deposit date: | 2013-03-21 | Release date: | 2014-02-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Structures of the Kinase Domain and Uba Domain of Mpk38 Suggest the Activation Mechanism for Kinase Activity. Acta Crystallogr.,Sect.D, 70, 2014
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4EKL
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![BU of 4ekl by Molmil](/molmil-images/mine/4ekl) | Akt1 with GDC0068 | Descriptor: | (2S)-2-(4-chlorophenyl)-1-{4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}-3-(propan-2-ylamino)propan-1-one, RAC-alpha serine/threonine-protein kinase | Authors: | Wu, W.-I, Vigers, G.P.A, Morales, T.H, Brandhuber, B.J. | Deposit date: | 2012-04-09 | Release date: | 2012-05-23 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An ATP-Site On-Off Switch That Restricts Phosphatase Accessibility of Akt. Sci.Signal., 5, 2012
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4CFH
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![BU of 4cfh by Molmil](/molmil-images/mine/4cfh) | Structure of an active form of mammalian AMPK | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ... | Authors: | Xiao, B, Sanders, M.J, Underwood, E, Heath, R, Mayer, F, Carmena, D, Jing, C, Walker, P.A, Eccleston, J.F, Haire, L.F, Saiu, P, Howell, S.A, Aasland, R, Martin, S.R, Carling, D, Gamblin, S.J. | Deposit date: | 2013-11-18 | Release date: | 2013-12-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | Structure of Mammalian Ampk and its Regulation by Adp Nature, 472, 2011
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