5OSL
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![BU of 5osl by Molmil](/molmil-images/mine/5osl) | The crystal structure of CK2alpha in complex with compound 7 | Descriptor: | 2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-17 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OSR
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![BU of 5osr by Molmil](/molmil-images/mine/5osr) | The crystal structure of CK2alpha in complex with an analogue of compound 1 | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-18 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OSU
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![BU of 5osu by Molmil](/molmil-images/mine/5osu) | The crystal structure of CK2alpha in complex with analogues of compound 1 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-4-[2-methoxy-5-(trifluoromethyl)phenyl]phenyl]methanamine | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-18 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OSP
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![BU of 5osp by Molmil](/molmil-images/mine/5osp) | The crystal structure of CK2alpha in complex with an analogue of compound 1 | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-18 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OUU
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![BU of 5ouu by Molmil](/molmil-images/mine/5ouu) | The crystal structure of CK2alpha in complex with compound 22 | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-25 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OWR
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![BU of 5owr by Molmil](/molmil-images/mine/5owr) | Human STK10 bound to dasatinib | Descriptor: | CALCIUM ION, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Serine/threonine-protein kinase 10 | Authors: | Szklarz, M, Muniz, J.R.C, Vollmar, M, von Delft, F, Bountra, C, Knapp, S, Edwards, A.M, Arrowsmith, C, Elkins, J.M. | Deposit date: | 2017-09-04 | Release date: | 2017-09-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Human STK10 bound to dasatinib To Be Published
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5OWQ
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![BU of 5owq by Molmil](/molmil-images/mine/5owq) | Human STK10 bound to dovitinib | Descriptor: | 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, Serine/threonine-protein kinase 10 | Authors: | Szklarz, M, von Delft, F, Bountra, C, Knapp, S, Edwards, A.M, Arrowsmith, C, Elkins, J.M. | Deposit date: | 2017-09-04 | Release date: | 2017-09-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human STK10 bound to dovitinib To Be Published
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5OXG
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![BU of 5oxg by Molmil](/molmil-images/mine/5oxg) | Crystal structure of the ACVR1 (ALK2) kinase in complex with LDN-212854 | Descriptor: | 1,2-ETHANEDIOL, 5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Activin receptor type-1, ... | Authors: | Williams, E.P, Sorrell, F.J, Kopec, J, Nowak, R.P, Kupinska, K, von Delft, F, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2017-09-06 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural basis for the potent and selective binding of LDN-212854 to the BMP receptor kinase ALK2. Bone, 109, 2018
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3NNW
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![BU of 3nnw by Molmil](/molmil-images/mine/3nnw) | Crystal structure of P38 alpha in complex with DP802 | Descriptor: | 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14 | Authors: | Abendroth, J. | Deposit date: | 2010-06-24 | Release date: | 2010-09-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region Bioorg.Med.Chem.Lett., 20, 2010
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3O50
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![BU of 3o50 by Molmil](/molmil-images/mine/3o50) | Crystal structure of benzamide 9 bound to AuroraA | Descriptor: | N-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, cDNA FLJ58295, highly similar to Serine/threonine-protein kinase 6 | Authors: | Huang, X. | Deposit date: | 2010-07-27 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor. J.Med.Chem., 53, 2010
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3NNX
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![BU of 3nnx by Molmil](/molmil-images/mine/3nnx) | Crystal structure of phosphorylated P38 alpha in complex with DP802 | Descriptor: | 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14 | Authors: | Abendroth, J. | Deposit date: | 2010-06-24 | Release date: | 2010-09-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region Bioorg.Med.Chem.Lett., 20, 2010
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3O71
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![BU of 3o71 by Molmil](/molmil-images/mine/3o71) | Crystal structure of ERK2/DCC peptide complex | Descriptor: | Mitogen-activated protein kinase 1, Peptide of Deleted in Colorectal Cancer, THIOCYANATE ION | Authors: | Ma, W.F, Shang, Y, Wei, Z.Y, Wen, W.Y, Wang, W.N, Zhang, M.J. | Deposit date: | 2010-07-30 | Release date: | 2011-06-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Phosphorylation of DCC by ERK2 is facilitated by direct docking of the receptor P1 domain to the kinase Structure, 18, 2010
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3OD6
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![BU of 3od6 by Molmil](/molmil-images/mine/3od6) | Crystal structure of p38alpha Y323T active mutant | Descriptor: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Livnah, O, Tzarum, N. | Deposit date: | 2010-08-11 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.682 Å) | Cite: | Active mutants of the TCR-mediated p38alpha alternative activation site show changes in the phosphorylation lip and DEF site formation. J.Mol.Biol., 405, 2011
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3NNV
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![BU of 3nnv by Molmil](/molmil-images/mine/3nnv) | Crystal structure of P38 alpha in complex with DP437 | Descriptor: | 1-{3-tert-butyl-1-[4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14 | Authors: | Abendroth, J. | Deposit date: | 2010-06-24 | Release date: | 2010-09-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region Bioorg.Med.Chem.Lett., 20, 2010
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3NRM
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![BU of 3nrm by Molmil](/molmil-images/mine/3nrm) | Imidazo[1,2-a]pyrazine-based Aurora Kinase Inhibitors | Descriptor: | N-(3-methylisothiazol-5-yl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine, Serine/threonine-protein kinase 6 | Authors: | Hruza, A. | Deposit date: | 2010-06-30 | Release date: | 2010-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Discovery of imidazo[1,2-a]pyrazine-based Aurora kinase inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3NUY
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![BU of 3nuy by Molmil](/molmil-images/mine/3nuy) | |
3NR9
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![BU of 3nr9 by Molmil](/molmil-images/mine/3nr9) | Structure of human CDC2-like kinase 2 (CLK2) | Descriptor: | (5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Dual specificity protein kinase CLK2 | Authors: | Chaikuad, A, Savitsky, P, Krojer, T, Muniz, J.R.C, Filippakopoulos, P, Rellos, P, Keates, T, Fedorov, O, Pike, A.C.W, Eswaran, J, Berridge, G, Phillips, C, Zhang, Y, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-06-30 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structure of human CDC2-like kinase 2 (CLK2) To be Published
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3NUU
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3O8U
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![BU of 3o8u by Molmil](/molmil-images/mine/3o8u) | |
3OHT
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![BU of 3oht by Molmil](/molmil-images/mine/3oht) | Crystal Structure of Salmo Salar p38alpha | Descriptor: | N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, SULFATE ION, p38a | Authors: | Rothweiler, U, Johnson, K, Engh, R.A. | Deposit date: | 2010-08-18 | Release date: | 2011-06-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | p38alpha MAP kinase dimers with swapped activation segments and a novel catalytic loop conformation J.Mol.Biol., 411, 2011
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3ORZ
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![BU of 3orz by Molmil](/molmil-images/mine/3orz) | PDK1 mutant bound to allosteric disulfide fragment activator 2A2 | Descriptor: | 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE, 3-phosphoinositide-dependent protein kinase 1, 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-1-thiol | Authors: | Sadowsky, J.D, Wells, J.A. | Deposit date: | 2010-09-08 | Release date: | 2011-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9995 Å) | Cite: | Turning a protein kinase on or off from a single allosteric site via disulfide trapping. Proc.Natl.Acad.Sci.USA, 108, 2011
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3P7B
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![BU of 3p7b by Molmil](/molmil-images/mine/3p7b) | p38 inhibitor-bound | Descriptor: | 1-{5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Moffett, K.K, Namboodiri, H. | Deposit date: | 2010-10-12 | Release date: | 2011-10-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg.Med.Chem.Lett., 21, 2011
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3P7A
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![BU of 3p7a by Molmil](/molmil-images/mine/3p7a) | p38 inhibitor-bound | Descriptor: | 1-[5-tert-butyl-2-(1,1-dioxidothiomorpholin-4-yl)thiophen-3-yl]-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Moffett, K.K, Namboodiri, H. | Deposit date: | 2010-10-12 | Release date: | 2011-10-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg.Med.Chem.Lett., 21, 2011
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3OOG
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![BU of 3oog by Molmil](/molmil-images/mine/3oog) | |
3OWK
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![BU of 3owk by Molmil](/molmil-images/mine/3owk) | Human CK2 catalytic domain in complex with a benzopyridoindole derivative inhibitor | Descriptor: | 7-chloro-10-methyl-11H-benzo[g]pyrido[4,3-b]indol-3-ol, CSNK2A1 protein, SULFATE ION | Authors: | Reiser, J.-B, Prudent, R, Cochet, C. | Deposit date: | 2010-09-20 | Release date: | 2010-12-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Antitumor activity of pyridocarbazole and benzopyridoindole derivatives that inhibit protein kinase CK2. Cancer Res., 70, 2010
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