5YVB
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![BU of 5yvb by Molmil](/molmil-images/mine/5yvb) | Structure of CaMKK2 in complex with CKI-011 | Descriptor: | (3Z)-5-chloro-3-[(1-methyl-1H-pyrazol-4-yl)methylidene]-1,3-dihydro-2H-indol-2-one, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | Authors: | Niwa, H, Handa, N, Yokoyama, S. | Deposit date: | 2017-11-24 | Release date: | 2018-12-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method. J.Mol.Graph.Model., 99, 2020
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5YV9
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![BU of 5yv9 by Molmil](/molmil-images/mine/5yv9) | Structure of CaMKK2 in complex with CKI-009 | Descriptor: | 5-chloro-2-methoxy-4[(1Z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]aminobenzoic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | Authors: | Niwa, H, Handa, N, Yokoyama, S. | Deposit date: | 2017-11-24 | Release date: | 2018-12-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method. J.Mol.Graph.Model., 99, 2020
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7C3G
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![BU of 7c3g by Molmil](/molmil-images/mine/7c3g) | Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134 | Descriptor: | 1,2-ETHANEDIOL, Activin receptor type-1, SULFATE ION, ... | Authors: | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | Deposit date: | 2020-05-12 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Novel bicyclic pyrazoles as potent ALK2 (R206H) inhibitors for the treatment of fibrodysplasia ossificans progressiva. Bioorg.Med.Chem.Lett., 38, 2021
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6U69
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![BU of 6u69 by Molmil](/molmil-images/mine/6u69) | Crystal structure of Yck2 from Candida albicans, apoenzyme | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-08-29 | Release date: | 2019-10-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Overcoming Fungal Echinocandin Resistance through Inhibition of the Non-essential Stress Kinase Yck2. Cell Chem Biol, 27, 2020
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6U5L
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![BU of 6u5l by Molmil](/molmil-images/mine/6u5l) | Structure of human ULK4 in complex with an inhibitor | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N~2~-(1H-benzimidazol-6-yl)-N~4~-(5-cyclobutyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine, ... | Authors: | Khamrui, S, Lazarus, M.B. | Deposit date: | 2019-08-28 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | High-Resolution Structure and Inhibition of the Schizophrenia-Linked Pseudokinase ULK4. J.Am.Chem.Soc., 142, 2020
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6TW2
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![BU of 6tw2 by Molmil](/molmil-images/mine/6tw2) | Re-refined crystal structure of di-phosphorylated human CLK1 in complex with a novel substituted indole inhibitor | Descriptor: | Dual specificity protein kinase CLK1, ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate | Authors: | Loll, B, Haltenhof, T, Heyd, F, Wahl, M.C. | Deposit date: | 2020-01-12 | Release date: | 2020-02-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Conserved Kinase-Based Body-Temperature Sensor Globally Controls Alternative Splicing and Gene Expression. Mol.Cell, 78, 2020
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6U0K
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![BU of 6u0k by Molmil](/molmil-images/mine/6u0k) | TTBK2 kinase domain in complex with Compound 1 | Descriptor: | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, GLYCEROL, PHOSPHATE ION, ... | Authors: | Marcotte, D.J, Chodaparambil, J.V. | Deposit date: | 2019-08-14 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.744 Å) | Cite: | The crystal structure of the catalytic domain of tau tubulin kinase 2 in complex with a small-molecule inhibitor Acta Crystallogr.,Sect.F, 76, 2020
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7CHT
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![BU of 7cht by Molmil](/molmil-images/mine/7cht) | Crystal structure of TTK kinase domain in complex with compound 30 | Descriptor: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK, MAGNESIUM ION | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Ko, E.H, Choi, H.G, Son, J.B, Kim, N.D. | Deposit date: | 2020-07-06 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
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7CHM
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![BU of 7chm by Molmil](/molmil-images/mine/7chm) | Crystal structure of TTK kinase domain in complex with compound 8 | Descriptor: | 4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | Deposit date: | 2020-07-06 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
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5ZJW
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![BU of 5zjw by Molmil](/molmil-images/mine/5zjw) | Crystal Structure of PAK4 in complex with inhibitor CZg353 | Descriptor: | (3Z)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1H-imidazol-2-yl)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Zhao, F, Li, H. | Deposit date: | 2018-03-22 | Release date: | 2019-04-03 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Crystal Structure of PAK4 in complex with inhibitor CZg353 To be published
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7CHN
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![BU of 7chn by Molmil](/molmil-images/mine/7chn) | Crystal structure of TTK kinase domain in complex with compound 9 | Descriptor: | 4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | Deposit date: | 2020-07-06 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
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7CLH
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![BU of 7clh by Molmil](/molmil-images/mine/7clh) | Crystal structure of TTK kinase domain in complex with compound 19 | Descriptor: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | Deposit date: | 2020-07-21 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
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7CJA
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![BU of 7cja by Molmil](/molmil-images/mine/7cja) | Crystal structure of TTK kinase domain in complex with compound 28 | Descriptor: | 4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | Deposit date: | 2020-07-09 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
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7CIL
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![BU of 7cil by Molmil](/molmil-images/mine/7cil) | Crystal structure of TTK kinase domain in complex with compound 7 | Descriptor: | 4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | Deposit date: | 2020-07-07 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
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5YWM
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![BU of 5ywm by Molmil](/molmil-images/mine/5ywm) | Crystal structure of CK2a2 form-1 | Descriptor: | Casein kinase II subunit alpha', NICOTINIC ACID, SULFATE ION | Authors: | Tsuyuguchi, M, Kinoshita, T. | Deposit date: | 2017-11-29 | Release date: | 2018-12-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.939 Å) | Cite: | Crystal structure of human CK2a2 in a new crystal form at 1.89 angstrom resolution To Be Published
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5ZN4
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![BU of 5zn4 by Molmil](/molmil-images/mine/5zn4) | X-ray structure of protein kinase ck2 alpha subunit H148N mutant | Descriptor: | Casein kinase II subunit alpha, SULFATE ION | Authors: | Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Kuroki, R, Adachi, M. | Deposit date: | 2018-04-07 | Release date: | 2018-11-21 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography. J. Mol. Biol., 430, 2018
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5Z33
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![BU of 5z33 by Molmil](/molmil-images/mine/5z33) | |
6U6A
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![BU of 6u6a by Molmil](/molmil-images/mine/6u6a) | Crystal structure of Yck2 from Candida albicans in complex with kinase inhibitor GW461484A | Descriptor: | 2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine, SULFATE ION, Serine/threonine protein kinase | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Chang, C, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-08-29 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Overcoming Fungal Echinocandin Resistance through Inhibition of the Non-essential Stress Kinase Yck2. Cell Chem Biol, 27, 2020
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5ZN0
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![BU of 5zn0 by Molmil](/molmil-images/mine/5zn0) | Joint X-ray/neutron structure of protein kinase ck2 alpha subunit | Descriptor: | Casein kinase II subunit alpha, SULFATE ION | Authors: | Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Ostermann, A, Schrader, T.E, Sunami, T, Kuroki, R, Adachi, M. | Deposit date: | 2018-04-07 | Release date: | 2018-11-21 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION | Cite: | Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography. J. Mol. Biol., 430, 2018
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7CGA
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![BU of 7cga by Molmil](/molmil-images/mine/7cga) | |
5YV8
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![BU of 5yv8 by Molmil](/molmil-images/mine/5yv8) | Structure of CaMKK2 in complex with CKI-002 | Descriptor: | 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | Authors: | Niwa, H, Handa, N, Yokoyama, S. | Deposit date: | 2017-11-24 | Release date: | 2018-12-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.927 Å) | Cite: | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method. J.Mol.Graph.Model., 99, 2020
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7CMB
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![BU of 7cmb by Molmil](/molmil-images/mine/7cmb) | Crystal Structure of PAK4 in complex with inhibitor 41 | Descriptor: | 1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indole-3-carboxamide, Serine/threonine-protein kinase PAK 4 | Authors: | Zhao, F, Li, H. | Deposit date: | 2020-07-26 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.592 Å) | Cite: | Discovery of 6-ethynyl-1H-indole-3-carboxamide Derivatives as Highly Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors to be published
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5ZAN
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![BU of 5zan by Molmil](/molmil-images/mine/5zan) | |
7CP3
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![BU of 7cp3 by Molmil](/molmil-images/mine/7cp3) | Crystal Structure of PAK4 in complex with inhibitor 47 | Descriptor: | Serine/threonine-protein kinase PAK 4, [(3R)-3-azanylpiperidin-1-yl]-[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]methanone | Authors: | Zhao, F, Li, H. | Deposit date: | 2020-08-05 | Release date: | 2021-08-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of 6-ethynyl-1H-indole-3-carboxamide Derivatives as Highly Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors to be published
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7CP4
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![BU of 7cp4 by Molmil](/molmil-images/mine/7cp4) | Crystal Structure of PAK4 in complex with inhibitor 55 | Descriptor: | Serine/threonine-protein kinase PAK 4, [1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]-[(3S)-3-methylpiperazin-1-yl]methanone | Authors: | Zhao, F, Li, H. | Deposit date: | 2020-08-06 | Release date: | 2021-08-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of 6-ethynyl-1H-indole-3-carboxamide Derivatives as Highly Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors to be published
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