5C1Q
 
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3KGA
 | | Crystal structure of MAPKAP kinase 2 (MK2) complexed with a potent 3-aminopyrazole ATP site inhibitor | | 分子名称: | 6-{3-amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2H)-one, MAGNESIUM ION, MAP kinase-activated protein kinase 2 | | 著者 | Kroemer, M, Velcicky, J, Izaac, A, Be, C, Huppertz, C, Pflieger, D, Schlapbach, A, Scheufler, C. | | 登録日 | 2009-10-28 | | 公開日 | 2010-01-26 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Novel 3-aminopyrazole inhibitors of MK-2 discovered by scaffold hopping strategy.
Bioorg.Med.Chem.Lett., 20, 2010
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5BYZ
 | | ERK5 in complex with small molecule | | 分子名称: | 4-({5-fluoro-4-[2-methyl-1-(propan-2-yl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)-N-[2-(piperidin-1-yl)ethyl]benzamide, GLYCEROL, Mitogen-activated protein kinase 7 | | 著者 | Chen, H, Tucker, J, Wang, X, Gavine, P.R, Philips, C, Augustin, M.A, Schreiner, P, Steinbacher, S, Preston, M, Ogg, D. | | 登録日 | 2015-06-11 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site.
Acta Crystallogr D Struct Biol, 72, 2016
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3KK9
 | | CaMKII Substrate Complex B | | 分子名称: | Calcium/calmodulin dependent protein kinase II | | 著者 | Kuriyan, J, Chao, L.H, Pellicena, P, Deindl, S, Barclay, L.A, Schulman, H. | | 登録日 | 2009-11-04 | | 公開日 | 2010-02-09 | | 最終更新日 | 2021-10-13 | | 実験手法 | X-RAY DIFFRACTION (3.206 Å) | | 主引用文献 | Intersubunit capture of regulatory segments is a component of cooperative CaMKII activation.
Nat.Struct.Mol.Biol., 17, 2010
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3KQ7
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5CKW
 | | Crystal structure of LegK4_AMPPNP Kinase | | 分子名称: | CALCIUM ION, LegK4, MAGNESIUM ION, ... | | 著者 | Flayhan, A, Terradot, L. | | 登録日 | 2015-07-15 | | 公開日 | 2015-10-14 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | The structure of Legionella pneumophila LegK4 type four secretion system (T4SS) effector reveals a novel dimeric eukaryotic-like kinase.
Sci Rep, 5, 2015
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8A5J
 | | Crystal structure of Human STE20-like kinase 1, MST1 in complex with compound XMU-MP-1 | | 分子名称: | 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, Serine/threonine-protein kinase 4 37kDa subunit | | 著者 | Nawrotek, A, Vuillard, L, Miallau, L. | | 登録日 | 2022-06-15 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.123 Å) | | 主引用文献 | Crystal structure of the Kelch domain of human Keap1in complex with ligand S217879
To Be Published
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8A8M
 | | Structure of the MAPK p38alpha in complex with its activating MAP2K MKK6 | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 6, MAGNESIUM ION, Mitogen-activated protein kinase 14, ... | | 著者 | Bowler, M.W, Juyoux, P, Pellegrini, E. | | 登録日 | 2022-06-23 | | 公開日 | 2022-07-13 | | 最終更新日 | 2023-09-27 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Architecture of the MKK6-p38 alpha complex defines the basis of MAPK specificity and activation.
Science, 381, 2023
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3KN5
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7ZYK
 | | Compound 9 Bound to CK2alpha | | 分子名称: | 2-(5-bromanyl-6-chloranyl-1~{H}-indol-3-yl)ethanenitrile, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Brear, P, Hyvonen, M. | | 登録日 | 2022-05-25 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
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3KVW
 | | Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) in complex with an indirubin ligand | | 分子名称: | (2Z,3E)-7'-bromo-3-(hydroxyimino)-2'-oxo-1,1',2',3-tetrahydro-2,3'-biindole-5-carboxylic acid, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | | 著者 | Filippakopoulos, P, Myrianthopoulos, V, Kritsanida, M, Magiatis, P, Skaltsounis, A.L, Soundararajan, M, Krojer, T, Gileadi, O, Hapka, E, Fedorov, O, Berridge, G, Wang, J, Shrestha, L, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Mikros, E, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2009-11-30 | | 公開日 | 2010-01-05 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) in complex with an indirubin ligand
To be Published
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5BX6
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7ZTL
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7ZPC
 | | CDK2 in complex 9K-DOS | | 分子名称: | Cyclin-dependent kinase 2, ~{N}-(1-methylpyrazol-4-yl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxamide | | 著者 | Watt, J.E, Martin, M.P, Noble, M.E.N. | | 登録日 | 2022-04-27 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Build-Couple-Transform: A Paradigm for Lead-like Library Synthesis with Scaffold Diversity.
J.Med.Chem., 65, 2022
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3KXM
 | | Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor K74 | | 分子名称: | Casein kinase II subunit alpha, N-methyl-2-[(4,5,6,7-tetrabromo-1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide | | 著者 | Papinutto, E, Franchin, C, Battistutta, R. | | 登録日 | 2009-12-03 | | 公開日 | 2010-11-17 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
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7ZWG
 | | The Crystal structure of RO4493940 bound to CK2alpha | | 分子名称: | (5~{Z})-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | | 著者 | Brear, P, Hyvonen, M. | | 登録日 | 2022-05-19 | | 公開日 | 2023-05-31 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 20, 2024
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7ZWE
 | | The Crystal structure of GW8695 bound to CK2alpha | | 分子名称: | 7-(1~{H}-indol-2-yl)-5-methyl-~{N}-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine, Casein kinase II subunit alpha | | 著者 | Brear, P, Hyvonen, M. | | 登録日 | 2022-05-19 | | 公開日 | 2023-05-31 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 20, 2024
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3KXG
 | | Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor 3,4,5,6,7-pentabromo-1H-indazole (K64) | | 分子名称: | 3,4,5,6,7-pentabromo-1H-indazole, Casein kinase II subunit alpha | | 著者 | Papinutto, E, Franchin, C, Battistutta, R. | | 登録日 | 2009-12-03 | | 公開日 | 2010-11-17 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
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5BYY
 | | ERK5 IN COMPLEX WITH SMALL MOLECULE | | 分子名称: | 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Mitogen-activated protein kinase 7 | | 著者 | Chen, H, Tucker, J, Wang, X, Gavine, P.R, Philips, C, Augustin, M.A, Schreiner, P, Steinbacher, S, Preston, M, Ogg, D. | | 登録日 | 2015-06-11 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site.
Acta Crystallogr D Struct Biol, 72, 2016
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3L8S
 | | Human p38 MAP Kinase in Complex with CP-547632 | | 分子名称: | 3-[(4-bromo-2,6-difluorobenzyl)oxy]-5-{[(4-pyrrolidin-1-ylbutyl)carbamoyl]amino}isothiazole-4-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | 著者 | Gruetter, C, Simard, J.R, Rauh, D. | | 登録日 | 2010-01-03 | | 公開日 | 2010-03-09 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations.
J.Am.Chem.Soc., 132, 2010
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3L9M
 | | Crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 18 | | 分子名称: | (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | 著者 | Huang, X. | | 登録日 | 2010-01-05 | | 公開日 | 2011-01-19 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
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3LHJ
 | | Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridinone Inhibitor. | | 分子名称: | Mitogen-activated protein kinase 14, N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide | | 著者 | Mohr, C, Jordan, S. | | 登録日 | 2010-01-22 | | 公開日 | 2010-04-14 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3.31 Å) | | 主引用文献 | Discovery and evaluation of 7-alkyl-1,5-bis-aryl-pyrazolopyridinones as highly potent, selective, and orally efficacious inhibitors of p38alpha mitogen-activated protein kinase.
J.Med.Chem., 53, 2010
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3LFS
 | | Crystal structure of CDK2 with SAR37, an aminoindazole type inhibitor | | 分子名称: | Cell division protein kinase 2, N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide | | 著者 | Dreyer, M.K, Wendt, K.U, Schimanski-Breves, S, Loenze, P. | | 登録日 | 2010-01-18 | | 公開日 | 2010-03-02 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2.
Bioorg.Med.Chem.Lett., 20, 2010
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3L8X
 | | P38 alpha kinase complexed with a pyrazolo-pyrimidine based inhibitor | | 分子名称: | Mitogen-activated protein kinase 14, N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | | 著者 | Sack, J.S. | | 登録日 | 2010-01-04 | | 公開日 | 2010-03-02 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Pyrazolo-Pyrimidines: A Novel Heterocyclic Scaffold for Potent and Selective P38 Alpha Inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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5CLR
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