5YVB
| Structure of CaMKK2 in complex with CKI-011 | 分子名称: | (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, ... | 著者 | Niwa, H, Handa, N, Yokoyama, S. | 登録日 | 2017-11-24 | 公開日 | 2018-12-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | 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
|
|
5YV9
| Structure of CaMKK2 in complex with CKI-009 | 分子名称: | 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, ... | 著者 | Niwa, H, Handa, N, Yokoyama, S. | 登録日 | 2017-11-24 | 公開日 | 2018-12-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | 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
|
|
7C3G
| Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134 | 分子名称: | 1,2-ETHANEDIOL, Activin receptor type-1, SULFATE ION, ... | 著者 | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | 登録日 | 2020-05-12 | 公開日 | 2021-03-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.802 Å) | 主引用文献 | Novel bicyclic pyrazoles as potent ALK2 (R206H) inhibitors for the treatment of fibrodysplasia ossificans progressiva. Bioorg.Med.Chem.Lett., 38, 2021
|
|
6U69
| Crystal structure of Yck2 from Candida albicans, apoenzyme | 分子名称: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | 著者 | Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2019-08-29 | 公開日 | 2019-10-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Overcoming Fungal Echinocandin Resistance through Inhibition of the Non-essential Stress Kinase Yck2. Cell Chem Biol, 27, 2020
|
|
6U5L
| Structure of human ULK4 in complex with an inhibitor | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N~2~-(1H-benzimidazol-6-yl)-N~4~-(5-cyclobutyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine, ... | 著者 | Khamrui, S, Lazarus, M.B. | 登録日 | 2019-08-28 | 公開日 | 2019-12-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | High-Resolution Structure and Inhibition of the Schizophrenia-Linked Pseudokinase ULK4. J.Am.Chem.Soc., 142, 2020
|
|
6TW2
| Re-refined crystal structure of di-phosphorylated human CLK1 in complex with a novel substituted indole inhibitor | 分子名称: | Dual specificity protein kinase CLK1, ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate | 著者 | Loll, B, Haltenhof, T, Heyd, F, Wahl, M.C. | 登録日 | 2020-01-12 | 公開日 | 2020-02-05 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A Conserved Kinase-Based Body-Temperature Sensor Globally Controls Alternative Splicing and Gene Expression. Mol.Cell, 78, 2020
|
|
6U0K
| TTBK2 kinase domain in complex with Compound 1 | 分子名称: | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, GLYCEROL, PHOSPHATE ION, ... | 著者 | Marcotte, D.J, Chodaparambil, J.V. | 登録日 | 2019-08-14 | 公開日 | 2020-03-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.744 Å) | 主引用文献 | 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
|
|
7CHT
| Crystal structure of TTK kinase domain in complex with compound 30 | 分子名称: | 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 | 著者 | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Ko, E.H, Choi, H.G, Son, J.B, Kim, N.D. | 登録日 | 2020-07-06 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | 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
|
|
7CHM
| Crystal structure of TTK kinase domain in complex with compound 8 | 分子名称: | 4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | 著者 | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | 登録日 | 2020-07-06 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | 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
|
|
5ZJW
| Crystal Structure of PAK4 in complex with inhibitor CZg353 | 分子名称: | (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, ... | 著者 | Zhao, F, Li, H. | 登録日 | 2018-03-22 | 公開日 | 2019-04-03 | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | 主引用文献 | Crystal Structure of PAK4 in complex with inhibitor CZg353 To be published
|
|
7CHN
| Crystal structure of TTK kinase domain in complex with compound 9 | 分子名称: | 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 | 著者 | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | 登録日 | 2020-07-06 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | 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
|
|
7CLH
| Crystal structure of TTK kinase domain in complex with compound 19 | 分子名称: | 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 | 著者 | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | 登録日 | 2020-07-21 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | 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
|
|
7CJA
| Crystal structure of TTK kinase domain in complex with compound 28 | 分子名称: | 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 | 著者 | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | 登録日 | 2020-07-09 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | 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
|
|
7CIL
| Crystal structure of TTK kinase domain in complex with compound 7 | 分子名称: | 4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | 著者 | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | 登録日 | 2020-07-07 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 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
|
|
5YWM
| Crystal structure of CK2a2 form-1 | 分子名称: | Casein kinase II subunit alpha', NICOTINIC ACID, SULFATE ION | 著者 | Tsuyuguchi, M, Kinoshita, T. | 登録日 | 2017-11-29 | 公開日 | 2018-12-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.939 Å) | 主引用文献 | Crystal structure of human CK2a2 in a new crystal form at 1.89 angstrom resolution To Be Published
|
|
5ZN4
| X-ray structure of protein kinase ck2 alpha subunit H148N mutant | 分子名称: | Casein kinase II subunit alpha, SULFATE ION | 著者 | Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Kuroki, R, Adachi, M. | 登録日 | 2018-04-07 | 公開日 | 2018-11-21 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.651 Å) | 主引用文献 | Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography. J. Mol. Biol., 430, 2018
|
|
5Z33
| |
6U6A
| Crystal structure of Yck2 from Candida albicans in complex with kinase inhibitor GW461484A | 分子名称: | 2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine, SULFATE ION, Serine/threonine protein kinase | 著者 | 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) | 登録日 | 2019-08-29 | 公開日 | 2019-10-30 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Overcoming Fungal Echinocandin Resistance through Inhibition of the Non-essential Stress Kinase Yck2. Cell Chem Biol, 27, 2020
|
|
5ZN0
| Joint X-ray/neutron structure of protein kinase ck2 alpha subunit | 分子名称: | Casein kinase II subunit alpha, SULFATE ION | 著者 | Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Ostermann, A, Schrader, T.E, Sunami, T, Kuroki, R, Adachi, M. | 登録日 | 2018-04-07 | 公開日 | 2018-11-21 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION | 主引用文献 | Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography. J. Mol. Biol., 430, 2018
|
|
7CGA
| |
5YV8
| Structure of CaMKK2 in complex with CKI-002 | 分子名称: | 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | 著者 | Niwa, H, Handa, N, Yokoyama, S. | 登録日 | 2017-11-24 | 公開日 | 2018-12-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.927 Å) | 主引用文献 | 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
|
|
7CMB
| Crystal Structure of PAK4 in complex with inhibitor 41 | 分子名称: | 1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indole-3-carboxamide, Serine/threonine-protein kinase PAK 4 | 著者 | Zhao, F, Li, H. | 登録日 | 2020-07-26 | 公開日 | 2021-07-28 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.592 Å) | 主引用文献 | Discovery of 6-ethynyl-1H-indole-3-carboxamide Derivatives as Highly Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors to be published
|
|
5ZAN
| |
7CP3
| Crystal Structure of PAK4 in complex with inhibitor 47 | 分子名称: | 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 | 著者 | Zhao, F, Li, H. | 登録日 | 2020-08-05 | 公開日 | 2021-08-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of 6-ethynyl-1H-indole-3-carboxamide Derivatives as Highly Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors to be published
|
|
7CP4
| Crystal Structure of PAK4 in complex with inhibitor 55 | 分子名称: | 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 | 著者 | Zhao, F, Li, H. | 登録日 | 2020-08-06 | 公開日 | 2021-08-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of 6-ethynyl-1H-indole-3-carboxamide Derivatives as Highly Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors to be published
|
|