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4AQC
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Triazolopyridine-based Inhibitor of Janus Kinase 2
分子名称: 8-(4-methylsulfonylphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine, SULFATE ION, TYROSINE-PROTEIN KINASE JAK2
著者Dugan, B.J, Gingrich, D.E, Mesaros, E.F, Milkiewicz, K.L, Curry, M.A, Zulli, A.L, Dobrzanski, P, Serdikoff, C, Jan, M, Angeles, T.S, Albom, M.S, Mason, J.L, Aimone, L.D, Meyer, S.L, Huang, Z, Wells-Knecht, K.J, Ator, M.A, Ruggeri, B.A, Dorsey, B.D.
登録日2012-04-16
公開日2012-04-25
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Selective, Orally Bioavailable 1,2,4-Triazolo[1,5-A]Pyridine-Based Inhibitor of Janus Kinase 2 for Use in Anticancer Therapy: Discovery of Cep-33779.
J.Med.Chem., 55, 2012
4AP7
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Crystal structure of C-MET kinase domain in complex with 4-((6-(4- fluorophenyl)-(1,2,4)triazolo(4,3-b)(1,2,4)triazin-3-yl)methyl)phenol
分子名称: 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol, HEPATOCYTE GROWTH FACTOR RECEPTOR
著者McTigue, M, Wickersham, J.
登録日2012-03-30
公開日2012-09-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
J.Med.Chem., 55, 2012
4AOJ
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Human TrkA in complex with the inhibitor AZ-23
分子名称: 5-chloranyl-N2-[(1S)-1-(5-fluoranylpyridin-2-yl)ethyl]-N4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR, ZINC ION
著者Wang, T, Lamb, M.L, Block, M.H, Davies, A.M, Han, Y, Hoffmann, E, Ioannidis, S, Josey, J.A, Liu, Z, Lyne, P.D, MacIntyre, T, Mohr, P.J, Omer, C.A, Sjogren, T, Thress, K, Wang, B, Wang, H, Yu, D, Zhang, H.
登録日2012-03-28
公開日2012-08-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery of Disubstituted Imidazo[4,5-B]Pyridines and Purines as Potent Trka Inhibitors
Acs Med.Chem.Lett., 3, 2012
4AOI
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Crystal structure of C-MET kinase domain in complex with 4-(3-((1H- pyrrolo(2,3-b)pyridin-3-yl)methyl)-(1,2,4)triazolo(4,3-b)(1,2,4) triazin-6-yl)benzonitrile
分子名称: 4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile, HEPATOCYTE GROWTH FACTOR RECEPTOR
著者McTigue, M, Grodsky, N, Ryan, K, Cui, J.J.
登録日2012-03-27
公開日2012-09-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
J.Med.Chem., 55, 2012
4ANS
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Structure of L1196M,G1269A Double 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, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A.
登録日2012-03-22
公開日2013-03-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib
To be Published
4ANQ
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Structure of G1269A 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, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A.
登録日2012-03-21
公開日2013-03-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.76 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
4ANL
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Structure of G1269A 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2012-03-20
公開日2013-03-27
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
4AGW
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Discovery of a small molecule type II inhibitor of wild-type and gatekeeper mutants of BCR-ABL, PDGFRalpha, Kit, and Src kinases
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromet hyl)phenyl}benzamide, GLYCEROL, ...
著者Weisberg, E, Choi, H.G, Seeliger, M, Gray, N, Griffin, J.D.
登録日2012-02-01
公開日2012-02-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of a Small-Molecule Type II Inhibitor of Wild-Type and Gatekeeper Mutants of Bcr-Abl, Pdgfralpha, Kit, and Src Kinases: Novel Type II Inhibitor of Gatekeeper Mutants.
Blood, 115, 2010
4AGD
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CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH SUNITINIB (SU11248) (N-2-diethylaminoethyl)-5-((Z)-(5- fluoro-2-oxo-1H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3- carboxamide)
分子名称: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
著者McTigue, M, Deng, Y, Ryan, K, Brooun, A, Diehl, W, Stewart, A.
登録日2012-01-26
公開日2012-09-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AGC
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CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH AXITINIB (AG-013736) (N-Methyl-2-(3-((E)-2-pyridin-2-yl- vinyl)-1H-indazol-6-ylsulfanyl)-benzamide)
分子名称: AXITINIB, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
著者Mctigue, M, Deng, Y, Ryan, K, Brooun, A, Diehl, W, Kania, R.S.
登録日2012-01-26
公開日2012-09-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AG8
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CRYSTAL STRUCTURE OF THE VEGFR2 KINASE DOMAIN IN COMPLEX WITH AXITINIB (AG-013736) (N-Methyl-2-(3-((E)-2-pyridin-2-yl-vinyl)-1H- indazol-6-ylsulfanyl)-benzamide)
分子名称: AXITINIB, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
著者McTigue, M, Wickersham, J, Pinko, C, Kania, R.S, Bender, S.
登録日2012-01-24
公開日2012-09-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
3ZZW
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Crystal structure of the kinase domain of ROR2
分子名称: CHLORIDE ION, SULFATE ION, TYROSINE-PROTEIN KINASE TRANSMEMBRANE RECEPTOR ROR2
著者Tresaugues, L, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Ekblad, T, Graslund, S, Karlberg, T, Nyman, T, Schuler, H, Thorsell, A.G, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2011-09-05
公開日2011-09-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of the Kinase Domain of Ror2
To be Published
3ZZE
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Crystal structure of C-MET kinase domain in complex with N'-((3Z)-4- chloro-7-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-2-(4- hydroxyphenyl)propanohydrazide
分子名称: (2S)-N'-[(3R)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide, HEPATOCYTE GROWTH FACTOR RECEPTOR
著者McTigue, M, Deng, Y, Ryan, K, Cui, J.J.
登録日2011-08-31
公開日2011-09-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
J.Med.Chem., 55, 2012
3ZXZ
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X-ray Structure of PF-04217903 bound to the kinase domain of c-Met
分子名称: 2-{4-[1-(QUINOLIN-6-YLMETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRAZIN-6-YL]-1H-PYRAZOL-1-YL}ETHANOL, HEPATOCYTE GROWTH FACTOR RECEPTOR
著者McTigue, M, Grodsky, N, Ryan, K, Cui, J.J.
登録日2011-08-16
公開日2011-08-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
J.Med.Chem., 55, 2012
3ZOS
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Structure of the DDR1 kinase domain in complex with ponatinib
分子名称: 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1
著者Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Bradley, A, Coutandin, D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2013-02-22
公開日2013-05-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural Mechanisms Determining Inhibition of the Collagen Receptor Ddr1 by Selective and Multi-Targeted Type II Kinase Inhibitors
J.Mol.Biol., 426, 2014
3ZON
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BU of 3zon by Molmil
Human TYK2 pseudokinase domain bound to a kinase inhibitor
分子名称: 5-PHENYL-2-UREIDOTHIOPHENE-3-CARBOXAMIDE, NON-RECEPTOR TYROSINE-PROTEIN KINASE TYK2
著者Elkins, J.M, Wang, J, Krojer, T, Savitsky, P, Chalk, R, Daga, N, Salah, E, Berridge, G, Picaud, S, von Delft, F, Bountra, C, Edwards, A, Knapp, S.
登録日2013-02-22
公開日2013-04-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Human Tyk2 Pseudokinase Domain Bound to a Kinase Inhibitor
To be Published
3ZMM
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Inhibitors of Jak2 Kinase domain
分子名称: 5-FLUORO-4-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHOXY]-N-(5-METHYL-1H-PYRAZOL-3-YL)-6-MORPHOLINO-PYRIMIDIN-2-AMINE, ACETYL GROUP, TYROSINE-PROTEIN KINASE JAK2
著者Read, J, Green, I, Pollard, H, Howard, T, Mott, R.
登録日2013-02-11
公開日2013-04-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery of Novel Jak2-Stat Pathway Inhibitors with Extended Residence Time on Target.
Bioorg.Med.Chem.Lett., 23, 2013
3ZFY
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Crystal structure of EphB3
分子名称: EPHRIN TYPE-B RECEPTOR 3
著者Debreczeni, J.E, Overman, R, Truman, C, McAlister, M, Attwood, T.K.
登録日2012-12-12
公開日2014-01-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Completing the Structural Family Portrait of the Human Ephb Tyrosine Kinase Domains
Protein Sci., 23, 2014
3ZFX
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Crystal structure of EphB1
分子名称: EPHRIN TYPE-B RECEPTOR 1, SULFATE ION
著者Debreczeni, J.E, Overman, R, Truman, C, McAlister, M, Attwood, T.K.
登録日2012-12-12
公開日2014-01-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Completing the Structural Family Portrait of the Human Ephb Tyrosine Kinase Domains
Protein Sci., 23, 2014
3ZFM
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Crystal structure of EphB2
分子名称: EPHRIN TYPE-B RECEPTOR 2
著者Debreczeni, J.E, Overman, R, Truman, C, McAlister, M, Attwood, T.K.
登録日2012-12-12
公開日2014-01-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Completing the Structural Family Portrait of the Human Ephb Tyrosine Kinase Domains
Protein Sci., 23, 2014
3ZEW
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Crystal structure of EphB4 in complex with staurosporine
分子名称: EPHRIN TYPE-B RECEPTOR 4, STAUROSPORINE, SULFATE ION
著者Debreczeni, J.E, Overman, R, Truman, C, McAlister, M, Attwood, T.K.
登録日2012-12-07
公開日2013-12-25
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Completing the Structural Family Portrait of the Human Ephb Tyrosine Kinase Domains
Protein Sci., 23, 2014
3ZEP
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BU of 3zep by Molmil
Crystal Structure of JAK3 Kinase Domain in Complex with a Pyrrolopyrazine-2-phenyl Ether Inhibitor
分子名称: 2-[[(3R)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-[(1S)-1-cyclopropylethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK3
著者Kuglstatter, A, Jestel, A, Nagel, S, Boettcher, J, Blaesse, M.
登録日2012-12-06
公開日2013-12-11
最終更新日2016-09-14
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of a Series of Novel 5H-Pyrrolo[2,3-B]Pyrazine-2-Phenyl Ethers, as Potent Jak3 Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
3ZCL
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X-ray Structure of c-Met kinase in complex with inhibitor (S)-3-(1-(1H-pyrrolo(2,3-b)pyridin-3-yl)ethyl)-N-isopropyl-(1,2,4)triazolo(4,3- b)pyridazin-6-amine
分子名称: (S)-3-(1-(1H-pyrrolo(2,3-b)pyridin-3-yl)ethyl)-N-isopropyl-(1,2,4)triazolo(4,3-b)pyridazin-6-amine, HEPATOCYTE GROWTH FACTOR RECEPTOR
著者McTigue, M, Grodsky, N, Ryan, K.
登録日2012-11-20
公開日2013-11-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Lessons from (S)-6-(1-(6-(1-Methyl-1H-Pyrazol-4-Yl)-[1,2, 4]Triazolo[4,3-B]Pyridazin-3-Yl)Ethyl)Quinoline (Pf-04254644), an Inhibitor of Receptor Tyrosine Kinase C-met with High Protein Kinase Selectivity But Broad Phosphodiesterase Family Inhibition Leading to Myocardial Degeneration in Rats.
J.Med.Chem., 56, 2013
3ZC6
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Crystal structure of JAK3 kinase domain in complex with an indazole substituted pyrrolopyrazine inhibitor
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, ...
著者Kuglstatter, A, Jestel, A, Nagel, S, Boettcher, J, Blaesse, M.
登録日2012-11-16
公開日2013-09-25
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Strategic Use of Conformational Bias and Structure Based Design to Identify Potent Jak3 Inhibitors with Improved Selectivity Against the Jak Family and the Kinome.
Bioorg.Med.Chem.Lett., 23, 2013
3ZC5
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X-ray Structure of c-Met kinase in complex with inhibitor (S)-6-(1-(6- (1-methyl-1H-pyrazol-4-yl)-(1,2,4)triazolo(4,3-b)pyridazin-3-yl)ethyl) quinoline.
分子名称: 6-{(1S)-1-[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}quinoline, HEPATOCYTE GROWTH FACTOR RECEPTOR
著者McTigue, M, Grodsky, N, Ryan, K.
登録日2012-11-15
公開日2013-11-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Lessons from (S)-6-(1-(6-(1-Methyl-1H-Pyrazol-4-Yl)-[1,2, 4]Triazolo[4,3-B]Pyridazin-3-Yl)Ethyl)Quinoline (Pf-04254644), an Inhibitor of Receptor Tyrosine Kinase C-met with High Protein Kinase Selectivity But Broad Phosphodiesterase Family Inhibition Leading to Myocardial Degeneration in Rats.
J.Med.Chem., 56, 2013

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