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4EUU
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Structure of BX-795 Complexed with Human TBK1 Kinase Domain Phosphorylated on Ser172
分子名称: GLYCEROL, IODIDE ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, ...
著者Ma, X, Helgason, E, Phung, Q.T, Quan, C.L, Iyer, R.S, Lee, M.W, Bowman, K.K, Starovasnik, M.A, Dueber, E.C.
登録日2012-04-25
公開日2012-05-23
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular basis of Tank-binding kinase 1 activation by transautophosphorylation.
Proc.Natl.Acad.Sci.USA, 109, 2012
4EH8
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BU of 4eh8 by Molmil
Human p38 MAP kinase in complex with NP-F7 and RL87
分子名称: Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, [3-(benzyloxy)phenyl]methanol
著者Over, B, Gruetter, C, Waldmann, H, Rauh, D.
登録日2012-04-02
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
4BTM
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BU of 4btm by Molmil
TTBK1 in complex with inhibitor
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, SULFATE ION, ...
著者Xue, Y, Wan, P, Hillertz, P, Schweikart, F, Zhao, Y, Wissler, L, Dekker, N.
登録日2013-06-18
公開日2013-09-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献X-Ray Structural Analysis of Tau-Tubulin Kinase 1 and its Interactions with Small Molecular Inhibitors.
Chemmedchem, 8, 2013
4C57
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BU of 4c57 by Molmil
Structure of GAK kinase in complex with a nanobody
分子名称: (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, 1,2-ETHANEDIOL, Cyclin-G-associated kinase, ...
著者Chaikuad, A, Keates, T, Krojer, T, Allerston, C.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Muller-Knapp, S.
登録日2013-09-10
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure of Cyclin G-Associated Kinase (Gak) Trapped in Different Conformations Using Nanobodies.
Biochem.J., 459, 2014
4BYJ
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Aurora A kinase bound to a highly selective imidazopyridine inhibitor
分子名称: (S)-N-(1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide, AURORA KINASE A
著者Joshi, A, Kosmopoulou, M, Bayliss, R.
登録日2013-07-19
公開日2013-11-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells.
J.Med.Chem., 56, 2013
4C58
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BU of 4c58 by Molmil
Structure of GAK kinase in complex with nanobody (NbGAK_4)
分子名称: 1,2-ETHANEDIOL, 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, Cyclin-G-associated kinase, ...
著者Chaikuad, A, Keates, T, Allerston, C.K, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Muller-Knapp, S.
登録日2013-09-10
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structure of cyclin G-associated kinase (GAK) trapped in different conformations using nanobodies.
Biochem. J., 459, 2014
4BYI
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Aurora A kinase bound to a highly selective imidazopyridine inhibitor
分子名称: (S)-N-((1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide, AURORA KINASE A
著者Joshi, A, Kosmopoulou, M, Bayliss, R.
登録日2013-07-19
公開日2013-11-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells.
J.Med.Chem., 56, 2013
4EH4
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BU of 4eh4 by Molmil
Human p38 MAP kinase in complex with NP-F3 and RL87
分子名称: Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, phenyl(piperidin-1-yl)methanone
著者Over, B, Gruetter, C, Waldmann, H, Rauh, D.
登録日2012-04-02
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
4EK3
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BU of 4ek3 by Molmil
Crystal structure of apo CDK2
分子名称: Cyclin-dependent kinase 2
著者Kang, Y.N, Stuckey, J.A.
登録日2012-04-09
公開日2013-05-01
最終更新日2013-05-22
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Crystal structure of apo CDK2
To be Published
4ERK
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BU of 4erk by Molmil
THE COMPLEX STRUCTURE OF THE MAP KINASE ERK2/OLOMOUCINE
分子名称: EXTRACELLULAR REGULATED KINASE 2, OLOMOUCINE, SULFATE ION
著者Wang, Z, Canagarajah, B, Boehm, J.C, Cobb, M.H, Young, P.R, Abdel-Meguid, S, Adams, J.L, Goldsmith, E.J.
登録日1998-07-09
公開日1999-07-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
4EZ3
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BU of 4ez3 by Molmil
CDK2 in complex with NSC 134199
分子名称: 1,2-ETHANEDIOL, 4-[(E)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide, Cyclin-dependent kinase 2
著者Alam, R, Martin, M, Zhu, J.-Y, Schonbrunn, E.
登録日2012-05-02
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2.
Chembiochem, 13, 2012
4EZ7
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BU of 4ez7 by Molmil
CDK2 in complex with staurosporine and 2 molecules of 8-anilino-1-naphthalene sulfonic acid
分子名称: 1,2-ETHANEDIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, Cyclin-dependent kinase 2, ...
著者Alam, R, Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
登録日2012-05-02
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2.
Chembiochem, 13, 2012
4EZ5
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BU of 4ez5 by Molmil
CDK6 (monomeric) in complex with inhibitor
分子名称: Cyclin-dependent kinase 6, {5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone
著者Chopra, R, Xu, M.
登録日2012-05-02
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.
ACS Med Chem Lett, 3, 2012
4F9Y
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BU of 4f9y by Molmil
Human P38 alpha MAPK In Complex With a Novel and Selective Small Molecule Inhibitor
分子名称: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ...
著者Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M.
登録日2012-05-21
公開日2013-06-05
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction.
Plos One, 8, 2013
4EYM
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BU of 4eym by Molmil
MAPK13 complex with inhibitor
分子名称: 2-(morpholin-4-yl)-N-[4-(pyridin-4-yloxy)phenyl]pyridine-4-carboxamide, Mitogen-activated protein kinase 13
著者Miller, C.A, Brett, T.J.
登録日2012-05-01
公開日2012-12-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.353 Å)
主引用文献IL-13-induced airway mucus production is attenuated by MAPK13 inhibition.
J.Clin.Invest., 122, 2012
4FA2
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BU of 4fa2 by Molmil
Human P38 alpha Mitogen-Activated Kinase In Complex With SB239063
分子名称: 1,2-ETHANEDIOL, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, BETA-MERCAPTOETHANOL, ...
著者Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M.
登録日2012-05-21
公開日2013-06-05
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction.
Plos One, 8, 2013
4F9W
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BU of 4f9w by Molmil
Human P38alpha MAPK in Complex with a Novel and Selective Small Molecule Inhibitor
分子名称: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, ACETATE ION, BETA-MERCAPTOETHANOL, ...
著者Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M.
登録日2012-05-21
公開日2013-06-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction.
Plos One, 8, 2013
4EYJ
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BU of 4eyj by Molmil
MAPK13 Complex with inhibitor
分子名称: 1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-[4-(pyridin-4-yloxy)phenyl]urea, Mitogen-activated protein kinase 13
著者Miller, C.A, Brett, T.J.
登録日2012-05-01
公開日2012-12-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献IL-13-induced airway mucus production is attenuated by MAPK13 inhibition.
J.Clin.Invest., 122, 2012
4FBX
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BU of 4fbx by Molmil
Complex structure of human protein kinase CK2 catalytic subunit crystallized in the presence of a bisubstrate inhibitor
分子名称: CHLORIDE ION, Casein kinase II subunit alpha, bisubstrate inhibitor
著者Enkvist, E, Viht, K, Bischoff, N, Vahter, J, Saaver, S, Raidaru, G, Issinger, O.-G, Niefind, K, Uri, A.
登録日2012-05-23
公開日2012-10-17
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献A subnanomolar fluorescent probe for protein kinase CK2 interaction studies.
Org.Biomol.Chem., 10, 2012
1MRY
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BU of 1mry by Molmil
crystal structure of an inactive akt2 kinase domain
分子名称: RAC-beta serine/threonine kinase
著者Huang, X, Begley, M, Morgenstern, K.A, Gu, Y, Rose, P, Zhao, H, Zhu, X.
登録日2002-09-18
公開日2003-09-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of an inactive akt2 kinase domain
Structure, 11, 2003
8ROZ
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BU of 8roz by Molmil
Cryo-EM structure of CDK2-cyclin A in complex with CDC25A
分子名称: Cyclin-A2, Cyclin-dependent kinase 2, M-phase inducer phosphatase 1
著者Rowland, R.J, Noble, M.E.M, Endicott, J.A.
登録日2024-01-12
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM structure of the CDK2-cyclin A-CDC25A Complex
To Be Published
3GNI
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BU of 3gni by Molmil
Structure of STRAD and MO25
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CITRIC ACID, Protein Mo25, ...
著者Zeqiraj, E, Goldie, S, Alessi, D.R, van Aalten, D.M.F.
登録日2009-03-17
公開日2009-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献ATP and MO25alpha regulate the conformational state of the STRADalpha pseudokinase and activation of the LKB1 tumour suppressor
Plos Biol., 7, 2009
3H4J
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BU of 3h4j by Molmil
crystal structure of pombe AMPK KDAID fragment
分子名称: SNF1-like protein kinase ssp2
著者Chen, L, Jiao, Z.-H, Zheng, L.-S, Zhang, Y.-Y, Xie, S.-T, Wang, Z.-X, Wu, J.-W.
登録日2009-04-20
公開日2009-06-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insight into the autoinhibition mechanism of AMP-activated protein kinase
Nature, 459, 2009
3HDN
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BU of 3hdn by Molmil
Crystal structure of serum and glucocorticoid-regulated kinase 1 in complex with compound 2
分子名称: Serine/threonine-protein kinase Sgk1, [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid
著者Zhao, B, Hammond, M.
登録日2009-05-07
公開日2009-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Design and synthesis of orally bioavailable serum and glucocorticoid-regulated kinase 1 (SGK1) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3HDM
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BU of 3hdm by Molmil
Crystal structure of serum and glucocorticoid-regulated kinase 1 in complex with compound 1
分子名称: 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, Serine/threonine-protein kinase Sgk1
著者Zhao, B, Hammond, M.
登録日2009-05-07
公開日2009-06-30
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design and synthesis of orally bioavailable serum and glucocorticoid-regulated kinase 1 (SGK1) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009

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