4IWO
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![BU of 4iwo by Molmil](/molmil-images/mine/4iwo) | Crystal structure and mechanism of activation of TBK1 | Descriptor: | N-{3-[(5-cyclopropyl-2-{[3-(2-oxopyrrolidin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase TBK1 | Authors: | Panne, D, Larabi, A. | Deposit date: | 2013-01-24 | Release date: | 2013-03-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal structure and mechanism of activation of TANK-binding kinase 1. Cell Rep, 3, 2013
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4IZA
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![BU of 4iza by Molmil](/molmil-images/mine/4iza) | |
3O96
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![BU of 3o96 by Molmil](/molmil-images/mine/3o96) | Crystal Structure of Human AKT1 with an Allosteric Inhibitor | Descriptor: | 1-(1-(4-(7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one, RAC-alpha serine/threonine-protein kinase | Authors: | Voegtli, W.C, Wu, W.-I, Lord-Ondash, H.A, Dizon, F.P, Vigers, G.P.A, Brandhuber, B.J. | Deposit date: | 2010-08-03 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of human AKT1 with an allosteric inhibitor reveals a new mode of kinase inhibition. Plos One, 5, 2010
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3MWU
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![BU of 3mwu by Molmil](/molmil-images/mine/3mwu) | Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with bumped kinase inhibitor RM-1-95 | Descriptor: | 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1 | Authors: | Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | Deposit date: | 2010-05-06 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii. ACS Med Chem Lett, 1, 2010
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3MVH
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![BU of 3mvh by Molmil](/molmil-images/mine/3mvh) | Crystal structure of Akt-1-inhibitor complexes | Descriptor: | GSK3-beta peptide, MANGANESE (II) ION, N-{[(3S)-3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl}-2,4-difluorobenzamide, ... | Authors: | Pandit, J. | Deposit date: | 2010-05-04 | Release date: | 2010-06-02 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Design of selective, ATP-competitive inhibitors of Akt. J.Med.Chem., 53, 2010
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4IWP
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![BU of 4iwp by Molmil](/molmil-images/mine/4iwp) | Crystal structure and mechanism of activation of TBK1 | Descriptor: | N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1 | Authors: | Panne, D, Larabi, A. | Deposit date: | 2013-01-24 | Release date: | 2013-03-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.065 Å) | Cite: | Crystal structure and mechanism of activation of TANK-binding kinase 1. Cell Rep, 3, 2013
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3NYN
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![BU of 3nyn by Molmil](/molmil-images/mine/3nyn) | Crystal Structure of G Protein-Coupled Receptor Kinase 6 in Complex with Sangivamycin | Descriptor: | (R,R)-2,3-BUTANEDIOL, G protein-coupled receptor kinase 6, SANGIVAMYCIN, ... | Authors: | Tesmer, J.J.G, Singh, P. | Deposit date: | 2010-07-15 | Release date: | 2010-09-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Molecular basis for activation of G protein-coupled receptor kinases. Embo J., 29, 2010
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3NYV
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![BU of 3nyv by Molmil](/molmil-images/mine/3nyv) | |
4IZ5
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![BU of 4iz5 by Molmil](/molmil-images/mine/4iz5) | Structure of the complex between ERK2 phosphomimetic mutant and PEA-15 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Astrocytic phosphoprotein PEA-15, Mitogen-activated protein kinase 1, ... | Authors: | Mace, P.D, Robinson, H, Riedl, S.J. | Deposit date: | 2013-01-29 | Release date: | 2013-04-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Structure of ERK2 bound to PEA-15 reveals a mechanism for rapid release of activated MAPK. Nat Commun, 4, 2013
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4IW0
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![BU of 4iw0 by Molmil](/molmil-images/mine/4iw0) | Crystal structure and mechanism of activation of TBK1 | Descriptor: | N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1 | Authors: | Larabi, A, Devos, J.M, Ng, S.-L, Nanao, M.H, Round, A, Maniatis, T, Panne, D. | Deposit date: | 2013-01-23 | Release date: | 2013-03-13 | Last modified: | 2013-05-22 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Crystal structure and mechanism of activation of TANK-binding kinase 1. Cell Rep, 3, 2013
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4IZ7
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![BU of 4iz7 by Molmil](/molmil-images/mine/4iz7) | |
3OCB
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![BU of 3ocb by Molmil](/molmil-images/mine/3ocb) | Akt1 kinase domain with pyrrolopyrimidine inhibitor | Descriptor: | (2S)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine, GSK 3 beta peptide, v-akt murine thymoma viral oncogene homolog 1 (AKT1) | Authors: | Morales, T.H, Vigers, G.P.A, Brandhuber, B.J. | Deposit date: | 2010-08-09 | Release date: | 2010-09-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of pyrrolopyrimidine inhibitors of Akt. Bioorg.Med.Chem.Lett., 20, 2010
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4IEB
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![BU of 4ieb by Molmil](/molmil-images/mine/4ieb) | Crystal Structure of a Gly128Met mutant of the toxoplasma CDPK, TGME49_101440 | Descriptor: | CALCIUM ION, Calmodulin-domain protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Wernimont, A.K, Artz, J.D, El Bakkouri, M, Schapira, M, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2012-12-13 | Release date: | 2013-12-25 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal Structure of a Gly128Met mutant of the toxoplasma CDPK, TGME49_101440 To be Published
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4IHP
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![BU of 4ihp by Molmil](/molmil-images/mine/4ihp) | Crystal structure of TgCDPK1 with inhibitor bound | Descriptor: | 1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, UNKNOWN ATOM OR ION | Authors: | El Bakkouri, M, Tempel, W, Crandall, I.E, Massad, T, Loppnau, P, Graslund, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kain, C.K, Shokat, K.M, Sibley, L.D, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2012-12-19 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal structure of TgCDPK1 with inhibitor bound TO BE PUBLISHED
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4IMY
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![BU of 4imy by Molmil](/molmil-images/mine/4imy) | |
4IC7
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![BU of 4ic7 by Molmil](/molmil-images/mine/4ic7) | Crystal structure of the ERK5 kinase domain in complex with an MKK5 binding fragment | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 5, Mitogen-activated protein kinase 7, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Gogl, G, Remenyi, A. | Deposit date: | 2012-12-10 | Release date: | 2013-02-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural mechanism for the specific assembly and activation of the extracellular signal regulated kinase 5 (ERK5) module. J.Biol.Chem., 288, 2013
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3MI9
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![BU of 3mi9 by Molmil](/molmil-images/mine/3mi9) | Crystal structure of HIV-1 Tat complexed with human P-TEFb | Descriptor: | Cell division protein kinase 9, Cyclin-T1, Protein Tat, ... | Authors: | Tahirov, T.H, Babayeva, N.D, Varzavand, K, Cooper, J.J, Sedore, S.C, Price, D.H. | Deposit date: | 2010-04-09 | Release date: | 2010-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of HIV-1 Tat complexed with human P-TEFb. Nature, 465, 2010
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4JL9
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![BU of 4jl9 by Molmil](/molmil-images/mine/4jl9) | Crystal structure of mouse TBK1 bound to BX795 | Descriptor: | N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1 | Authors: | Li, P, Shu, C. | Deposit date: | 2013-03-12 | Release date: | 2013-06-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.0999 Å) | Cite: | Structural Insights into the Functions of TBK1 in Innate Antimicrobial Immunity. Structure, 21, 2013
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3MY1
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![BU of 3my1 by Molmil](/molmil-images/mine/3my1) | Structure of CDK9/cyclinT1 in complex with DRB | Descriptor: | 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole, Cell division protein kinase 9, Cyclin-T1, ... | Authors: | Baumli, S, Johnson, L.N. | Deposit date: | 2010-05-09 | Release date: | 2010-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Halogen bonds form the basis for selective P-TEFb inhibition by DRB Chem.Biol., 17, 2010
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3N51
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![BU of 3n51 by Molmil](/molmil-images/mine/3n51) | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor RM-1-95 | Descriptor: | 1,2-ETHANEDIOL, 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ... | Authors: | Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | Deposit date: | 2010-05-24 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii. ACS Med Chem Lett, 1, 2010
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3MY5
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![BU of 3my5 by Molmil](/molmil-images/mine/3my5) | CDk2/cyclinA in complex with DRB | Descriptor: | 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole, Cell division protein kinase 2, Cyclin-A2, ... | Authors: | Baumli, S, Johnson, L.N. | Deposit date: | 2010-05-09 | Release date: | 2010-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Halogen bonds form the basis for selective P-TEFb inhibition by DRB Chem.Biol., 17, 2010
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4G16
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![BU of 4g16 by Molmil](/molmil-images/mine/4g16) | |
4FZA
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![BU of 4fza by Molmil](/molmil-images/mine/4fza) | Crystal structure of MST4-MO25 complex | Descriptor: | Calcium-binding protein 39, GLYCEROL, Serine/threonine-protein kinase MST4 | Authors: | Shi, Z.B, Zhou, Z.C. | Deposit date: | 2012-07-06 | Release date: | 2013-03-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism Structure, 21, 2013
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3P23
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![BU of 3p23 by Molmil](/molmil-images/mine/3p23) | |
3OW4
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![BU of 3ow4 by Molmil](/molmil-images/mine/3ow4) | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors | Descriptor: | (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, GSK 3 beta peptide, RAC-alpha serine/threonine-protein kinase | Authors: | Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J. | Deposit date: | 2010-09-17 | Release date: | 2010-11-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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