Author results

2XIR
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CRYSTAL STRUCTURE OF THE VEGFR2 KINASE DOMAIN IN COMPLEX WITH PF- 00337210 (N,2-DIMETHYL-6-(7-(2-MORPHOLINOETHOXY)QUINOLIN-4-YLOXY) BENZOFURAN-3-CARBOXAMIDE)
Descriptor:VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2, N,2-DIMETHYL-6-{[7-(2-MORPHOLIN-4-YLETHOXY)QUINOLIN-4-YL]OXY}-1-BENZOFURAN-3-CARBOXAMIDE
Authors:McTigue, M., Wickersham, J., Pinko, C., Hong, Y., Marrone, T.
Deposit date:2010-06-30
Release date:2011-04-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of the Selective Vegfr Inhibitor Pf- 00337210
To be Published
2YJR
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STRUCTURE OF F1174L MUTANT ANAPLASTIC LYMPHOMA KINASE
Descriptor:ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M., Deng, Y., Liu, W., Brooun, A.
Deposit date:2011-05-23
Release date:2012-06-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of F1174L Mutant Anaplastic Lymphoma Kinase
To be Published
2YJS
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STRUCTURE OF C1156Y MUTANT ANAPLASTIC LYMPHOMA KINASE
Descriptor:ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M., Deng, Y., Liu, W., Brooun, A.
Deposit date:2011-05-23
Release date:2012-06-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of C1156Y Mutant Anaplastic Lymphoma Kinase
To be Published
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)
Descriptor:VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2, AXITINIB
Authors:McTigue, M., Wickersham, J., Pinko, C., Kania, R.S., Bender, S.
Deposit date:2012-01-24
Release date:2012-09-26
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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)
Descriptor:VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2, AXITINIB
Authors:Mctigue, M., Deng, Y., Ryan, K., Brooun, A., Diehl, W., Kania, R.S.
Deposit date:2012-01-26
Release date:2012-09-26
Last modified:2012-11-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
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)
Descriptor:VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Authors:McTigue, M., Deng, Y., Ryan, K., Brooun, A., Diehl, W., Stewart, A.
Deposit date:2012-01-26
Release date:2012-09-26
Last modified:2012-11-14
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
4ANS
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STRUCTURE OF L1196M,G1269A DOUBLE MUTANT ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH CRIZOTINIB
Descriptor:ALK TYROSINE KINASE RECEPTOR, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
Authors:McTigue, M., Deng, Y., Liu, W., Brooun, A.
Deposit date:2012-03-22
Release date:2013-03-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib
To be Published
4ASD
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CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH SORAFENIB (BAY 43-9006)
Descriptor:VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2, 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE
Authors:McTigue, M., Deng, Y., Ryan, K., Brooun, A., Diehl, W., Stewart, A.
Deposit date:2012-04-30
Release date:2012-09-26
Last modified:2012-11-14
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
4ASE
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CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH TIVOZANIB (AV-951)
Descriptor:VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2, TIVOZANIB
Authors:McTigue, M., Deng, Y., Ryan, K., Brooun, A., Diehl, W., Stewart, A.
Deposit date:2012-04-30
Release date:2012-09-26
Last modified:2012-11-14
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
2WGJ
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X-RAY STRUCTURE OF PF-02341066 BOUND TO THE KINASE DOMAIN OF C-MET
Descriptor:HEPATOCYTE GROWTH FACTOR RECEPTOR, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
Authors:McTigue, M., Grodsky, N., Ryan, K., Tran-Dube, M., Cui, J.J., Mroczkowski, B.
Deposit date:2009-04-20
Release date:2009-06-02
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure Based Drug Design of Crizotinib (Pf-02341066), a Potent and Selective Dual Inhibitor of Mesenchymal-Epithelial Transition Factor (C-met) Kinase and Anaplastic Lymphoma Kinase (Alk).
J.Med.Chem, 54, 2011
3ZXZ
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X-RAY STRUCTURE OF PF-04217903 BOUND TO THE KINASE DOMAIN OF C-MET
Descriptor:HEPATOCYTE GROWTH FACTOR RECEPTOR, 2-{4-[1-(QUINOLIN-6-YLMETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRAZIN-6-YL]-1H-PYRAZOL-1-YL}ETHANOL
Authors:McTigue, M., Grodsky, N., Ryan, K., Cui, J.J.
Deposit date:2011-08-16
Release date:2011-08-31
Last modified:2012-10-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
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
Descriptor:HEPATOCYTE GROWTH FACTOR RECEPTOR, (2S)-N'-[(3R)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide
Authors:McTigue, M., Deng, Y., Ryan, K., Cui, J.J.
Deposit date:2011-08-31
Release date:2011-09-14
Last modified:2012-10-10
Method:X-RAY DIFFRACTION (1.87 Å)
Cite: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
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
Descriptor:HEPATOCYTE GROWTH FACTOR RECEPTOR, 4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile
Authors:McTigue, M., Grodsky, N., Ryan, K., Cui, J.J.
Deposit date:2012-03-27
Release date:2012-09-26
Last modified:2012-10-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
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
Descriptor:HEPATOCYTE GROWTH FACTOR RECEPTOR, 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol
Authors:McTigue, M., Wickersham, J.
Deposit date:2012-03-30
Release date:2012-09-26
Last modified:2012-10-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
2WKM
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X-RAY STRUCTURE OF PHA-00665752 BOUND TO THE KINASE DOMAIN OF C-MET
Descriptor:HEPATOCYTE GROWTH FACTOR RECEPTOR, (3Z)-5-[(2,6-DICHLOROBENZYL)SULFONYL]-3-[(3,5-DIMETHYL-4-{[(2S)-2-(PYRROLIDIN-1-YLMETHYL)PYRROLIDIN-1-YL]CARBONYL}-1H-PYRROL-2-YL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE
Authors:McTigue, M., Grodsky, N., Ryan, K., Cui, J.J.
Deposit date:2009-06-15
Release date:2010-08-25
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure Based Drug Design of Crizotinib (Pf-02341066), a Potent and Selective Dual Inhibitor of Mesenchymal-Epithelial Transition Factor (C-met) Kinase and Anaplastic Lymphoma Kinase (Alk).
J.Med.Chem, 54, 2011
2XP2
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STRUCTURE OF THE HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH CRIZOTINIB (PF-02341066)
Descriptor:TYROSINE-PROTEIN KINASE RECEPTOR, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
Authors:McTigue, M., Deng, Y., Liu, W., Brooun, A., Timofeevski, S., Marrone, T., Cui, J.J.
Deposit date:2010-08-24
Release date:2010-09-15
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure Based Drug Design of Crizotinib (Pf-02341066), a Potent and Selective Dual Inhibitor of Mesenchymal-Epithelial Transition Factor (C-met) Kinase and Anaplastic Lymphoma Kinase (Alk).
J.Med.Chem, 54, 2011
2YFX
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STRUCTURE OF L1196M MUTANT ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH CRIZOTINIB
Descriptor:TYROSINE-PROTEIN KINASE RECEPTOR, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
Authors:McTigue, M., Deng, Y., Liu, W., Brooun, A.
Deposit date:2011-04-08
Release date:2011-05-04
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
2YHV
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STRUCTURE OF L1196M MUTANT ANAPLASTIC LYMPHOMA KINASE
Descriptor:ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M., Deng, Y., Liu, W., Brooun, A.
Deposit date:2011-05-06
Release date:2011-05-18
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
3ZBF
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STRUCTURE OF HUMAN ROS1 KINASE DOMAIN IN COMPLEX WITH CRIZOTINIB
Descriptor:PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
Authors:McTigue, M., Deng, Y., Liu, W., Brooun, A., Stewart, A.
Deposit date:2012-11-08
Release date:2013-06-12
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Acquired Resistance to Crizotinib from a Mutation in Cd74-Ros1
N.Engl.J.Med., 368, 2013
3ZBX
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X-RAY STRUCTURE OF C-MET KINASE IN COMPLEX WITH INHIBITOR 6-((6-(4- FLUOROPHENYL)-(1,2,4)TRIAZOLO(4,3-B)(1,2,4)TRIAZIN-3-YL)METHYL) QUINOLINE.
Descriptor:HEPATOCYTE GROWTH FACTOR RECEPTOR, 6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
Authors:McTigue, M., Wickersham, J., Ryan, K.
Deposit date:2012-11-13
Release date:2013-11-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
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.
Descriptor:HEPATOCYTE GROWTH FACTOR RECEPTOR, 6-{(1S)-1-[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}quinoline
Authors:McTigue, M., Grodsky, N., Ryan, K.
Deposit date:2012-11-15
Release date:2013-11-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
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
Descriptor:HEPATOCYTE GROWTH FACTOR RECEPTOR, (S)-3-(1-(1H-pyrrolo(2,3-b)pyridin-3-yl)ethyl)-N-isopropyl-(1,2,4)triazolo(4,3-b)pyridazin-6-amine
Authors:McTigue, M., Grodsky, N., Ryan, K.
Deposit date:2012-11-20
Release date:2013-11-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
4ANL
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STRUCTURE OF G1269A MUTANT ANAPLASTIC LYMPHOMA KINASE
Descriptor:ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M., Deng, Y., Liu, W., Brooun, A.
Deposit date:2012-03-20
Release date:2013-03-27
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
4ANQ
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STRUCTURE OF G1269A MUTANT ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH CRIZOTINIB
Descriptor:ALK TYROSINE KINASE RECEPTOR, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
Authors:McTigue, M., Deng, Y., Liu, W., Brooun, A.
Deposit date:2012-03-21
Release date:2013-03-27
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
4UXL
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STRUCTURE OF HUMAN ROS1 KINASE DOMAIN IN COMPLEX WITH PF-06463922
Descriptor:PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS, (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile
Authors:McTigue, M., Deng, Y., Liu, W., Brooun, A., Stewart, A.
Deposit date:2014-08-25
Release date:2015-03-11
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Pf-06463922 is a Potent and Selective Next-Generation Ros1/Alk Inhibitor Capable of Blocking Crizotinib-Resistant Ros1 Mutations.
Proc.Natl.Acad.Sci.USA, 112, 2015
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