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3AC3
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Crystal structure of pyrazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
分子名称: 2-[(3,5-dimethoxyphenyl)amino]-5-ethyl-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION
著者Tsuji, E.
登録日2009-12-28
公開日2010-06-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
3AC2
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Crystal structure of pyrazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(2-amino-2-methylpropyl)amino]-2-[(3,5-dimethoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide, DIMETHYL SULFOXIDE, ...
著者Tsuji, E.
登録日2009-12-28
公開日2010-06-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
3AC1
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Crystal structure of pyrazin derivative bound to the kinase domain of Human LCK, (Auto-phosphorylated on TYR394)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-{[(1R,2S)-2-aminocyclohexyl]amino}-3-[(3,5-dimethoxyphenyl)amino]pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, ...
著者Tsuji, E.
登録日2009-12-28
公開日2010-06-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
3A4P
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human c-MET kinase domain complexed with 6-benzyloxyquinoline inhibitor
分子名称: (2E)-3-{6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]quinolin-3-yl}-N-methylprop-2-enamide, CHLORIDE ION, Hepatocyte growth factor receptor, ...
著者Fukami, T.A, Kadono, S, Yamamuro, M, Matsuura, T.
登録日2009-07-13
公開日2010-02-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Discovery of 6-benzyloxyquinolines as c-Met selective kinase inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3A4O
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Lyn kinase domain
分子名称: STAUROSPORINE, Tyrosine-protein kinase Lyn
著者Miyano, N, Kinoshita, T, Tada, T.
登録日2009-07-11
公開日2009-12-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for the inhibitor recognition of human Lyn kinase domain
Bioorg.Med.Chem.Lett., 19, 2009
2ZYB
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Crystal structure of phenylimidazo pyrazin 2 bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
分子名称: N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION
著者Tsuji, E.
登録日2009-01-19
公開日2009-02-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The importance of CH/pi hydrogen bonds in rational drug design: An ab initio fragment molecular orbital study to leukocyte-specific protein tyrosine (LCK) kinase
Bioorg.Med.Chem., 16, 2008
2ZVA
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Lyn Tyrosine Kinase Domain-Dasatinib complex
分子名称: N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Tyrosine-protein kinase Lyn
著者Williams, N.K, Rossjohn, J.
登録日2008-11-04
公開日2008-11-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structures of the Lyn Protein Tyrosine Kinase Domain in Its Apo- and Inhibitor-bound State
J.Biol.Chem., 284, 2009
2ZV9
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Lyn Tyrosine Kinase Domain-PP2 complex
分子名称: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, Tyrosine-protein kinase Lyn
著者Williams, N.K, Rossjohn, J.
登録日2008-11-04
公開日2008-11-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Crystal Structures of the Lyn Protein Tyrosine Kinase Domain in Its Apo- and Inhibitor-bound State
J.Biol.Chem., 284, 2009
2ZV8
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Lyn Tyrosine Kinase Domain-AMP-PNP complex
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase Lyn
著者Williams, N.K, Rossjohn, J.
登録日2008-11-04
公開日2008-11-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structures of the Lyn Protein Tyrosine Kinase Domain in Its Apo- and Inhibitor-bound State
J.Biol.Chem., 284, 2009
2ZV7
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Lyn Tyrosine Kinase Domain, apo form
分子名称: Tyrosine-protein kinase Lyn
著者Williams, N.K, Rossjohn, J.
登録日2008-11-04
公開日2008-11-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structures of the Lyn Protein Tyrosine Kinase Domain in Its Apo- and Inhibitor-bound State
J.Biol.Chem., 284, 2009
2ZM4
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Crystal structure of imidazo quinoxaline 1 bound to the kinase domain of human LCK, activated form (auto-phosphorylated on TYR394)
分子名称: DIMETHYL SULFOXIDE, N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine, Proto-oncogene tyrosine-protein kinase LCK, ...
著者Tsuji, E.
登録日2008-04-11
公開日2008-10-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The importance of CH/pi hydrogen bonds in rational drug design: An ab initio fragment molecular orbital study to leukocyte-specific protein tyrosine (LCK) kinase
Bioorg.Med.Chem., 16, 2008
2ZM3
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Complex Structure of Insulin-like Growth Factor Receptor and Isoquinolinedione Inhibitor
分子名称: (4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione, Insulin-like growth factor 1 receptor
著者Xu, W, Mayer, S.C, Boschelli, F, Johnson, M, Dwyer, B.
登録日2008-04-10
公開日2008-06-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Lead identification to generate isoquinolinedione inhibitors of insulin-like growth factor receptor (IGF-1R) for potential use in cancer treatment
Bioorg.Med.Chem.Lett., 18, 2008
2ZM1
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Crystal structure of imidazo pyrazin 1 bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
分子名称: DIMETHYL SULFOXIDE, N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine, Proto-oncogene tyrosine-protein kinase LCK, ...
著者Tsuji, E.
登録日2008-04-10
公開日2008-10-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The importance of CH/pi hydrogen bonds in rational drug design: An ab initio fragment molecular orbital study to leukocyte-specific protein tyrosine (LCK) kinase
Bioorg.Med.Chem., 16, 2008
2Z8C
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BU of 2z8c by Molmil
Phosphorylated insulin receptor tyrosine kinase in complex with (4-{[5-carbamoyl-4-(3-methylanilino)pyrimidin-2-yl]amino}phenyl)acetic acid
分子名称: 6-mer peptide from Insulin receptor substrate 1, Insulin receptor, [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID
著者Katayama, N, Kurihara, H.
登録日2007-09-05
公開日2008-08-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Identification of a key element for hydrogen-bonding patterns between protein kinases and their inhibitors.
Proteins, 73, 2008
2Z60
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Crystal Structure of the T315I Mutant of Abl kinase bound with PPY-A
分子名称: 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase ABL1
著者Zhou, T, Dalgarno, D, Zhu, X.
登録日2007-07-21
公開日2007-09-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of the T315I Mutant of Abl Kinase
Chem.Biol.Drug Des., 70, 2007
2YN8
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ephB4 kinase domain inhibitor complex
分子名称: EPHRIN TYPE-B RECEPTOR 4, STAUROSPORINE
著者Read, J, Brassington, C.A, Overmann, R.
登録日2012-10-13
公開日2013-10-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Stability and Solubility Engineering of the Ephb4 Tyrosine Kinase Catalytic Domain Using a Rationally Designed Synthetic Library.
Protein Eng.Des.Sel., 26, 2013
2YJS
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Structure of C1156Y Mutant Anaplastic Lymphoma Kinase
分子名称: ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A.
登録日2011-05-23
公開日2012-06-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of C1156Y Mutant Anaplastic Lymphoma Kinase
To be Published
2YJR
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Structure of F1174L Mutant Anaplastic Lymphoma Kinase
分子名称: ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A.
登録日2011-05-23
公開日2012-06-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of F1174L Mutant Anaplastic Lymphoma Kinase
To be Published
2YIY
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Crystal structure of compound 8 bound to TAK1-TAB
分子名称: (1E)-1-[5-TERT-BUTYL-2-(3-FLUOROPHENYL)-1H-PYRAZOL-3-YLIDENE]-3-(4-PYRIDIN-3-YLOXYPHENYL)UREA, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 7, TGF-BETA-ACTIVATED KINASE 1 AND MAP3K7-BINDING PROTEIN 1
著者Brown, D.G, Phillips, C.
登録日2011-05-17
公開日2012-05-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献The Discovery and Synthesis of Selective Dfg-Out Tak-1 Inhibitors
To be Published
2YHV
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Structure of L1196M Mutant Anaplastic Lymphoma Kinase
分子名称: ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A.
登録日2011-05-06
公開日2011-05-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
2YFX
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Structure of L1196M Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib
分子名称: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, TYROSINE-PROTEIN KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A.
登録日2011-04-08
公開日2011-05-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
2Y6O
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Crystal structure of EphA4 kinase domain in complex with Dasatinib.
分子名称: EPHRIN TYPE-A RECEPTOR 4, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE
著者Farenc, C.J.A, Celie, P.H.N, Siegal, G.
登録日2011-01-25
公開日2011-11-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.543 Å)
主引用文献Crystal Structure of the Epha4 Protein Tyrosine Kinase Domain in the Apo- and Dasatinib-Bound State.
FEBS Lett., 585, 2011
2Y6M
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Crystal structure of EphA4 kinase domain
分子名称: EPHRIN TYPE-A RECEPTOR 4, GLYCEROL
著者Farenc, C.J.A, Celie, P.H.N, Siegal, G.
登録日2011-01-25
公開日2011-11-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of the Epha4 Protein Tyrosine Kinase Domain in the Apo- and Dasatinib-Bound State.
FEBS Lett., 585, 2011
2Y4I
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KSR2-MEK1 heterodimer
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, ...
著者Brennan, D.F, Barford, D.
登録日2011-01-06
公開日2011-01-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.46 Å)
主引用文献A Raf-Induced Allosteric Transition of Ksr Stimulates Ksr and Raf Phosphorylation of Mek
Nature, 472, 2011
2XYU
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Crystal structure of EphA4 kinase domain in complex with VUF 12058
分子名称: 5-(5-FLUORO-2-METHYLPHENYL)-6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[3,4-C]ISOQUINOLIN-1-AMINE, EPHRIN TYPE-A RECEPTOR 4,, GLYCEROL
著者Farenc, C.J.A, Celie, P.H.N, vanLinden, O.P.J, Siegal, G.
登録日2010-11-19
公開日2011-11-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.117 Å)
主引用文献Fragment Based Lead Discovery of Small Molecule Inhibitors for the Epha4 Receptor Tyrosine Kinase.
Eur.J.Med.Chem., 47, 2012

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