Author results

1RMD
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RAG1 DIMERIZATION DOMAIN
Descriptor:RAG1, ZINC ION
Authors:Bellon, S.F., Rodgers, K.K., Schatz, D.G., Coleman, J.E., Steitz, T.A.
Deposit date:1997-01-10
Release date:1997-07-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the RAG1 dimerization domain reveals multiple zinc-binding motifs including a novel zinc binuclear cluster.
Nat.Struct.Biol., 4, 1997
2RFN
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X-RAY STRUCTURE OF C-MET WITH INHIBITOR.
Descriptor:Hepatocyte growth factor receptor, 2-benzyl-5-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-3-methylpyrimidin-4(3H)-one
Authors:Bellon, S.F., Kaplan-Lefko, P., Yang, Y., Zhang, Y., Moriguchi, J., Dussault, I.
Deposit date:2007-10-01
Release date:2007-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:c-Met inhibitors with novel binding mode show activity against several hereditary papillary renal cell carcinoma-related mutations.
J.Biol.Chem., 283, 2008
2RFS
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X-RAY STRUCTURE OF SU11274 BOUND TO C-MET
Descriptor:Hepatocyte growth factor receptor, N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide
Authors:Bellon, S.F., Kaplan-Lefko, P., Yang, Y., Zhang, Y., Moriguchi, J., Dussault, I.
Deposit date:2007-10-01
Release date:2007-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:c-Met inhibitors with novel binding mode show activity against several hereditary papillary renal cell carcinoma-related mutations.
J.Biol.Chem., 283, 2008
3CD8
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X-RAY STRUCTURE OF C-MET WITH TRIAZOLOPYRIDAZINE INHIBITOR.
Descriptor:Hepatocyte growth factor receptor, 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
Authors:Bellon, S.F., Albrecht, B.K., Harmange, J.-C., Bauer, D., Choquette, D., Dussault, I.
Deposit date:2008-02-26
Release date:2008-04-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and Optimization of Triazolopyridazines as Potent and Selective Inhibitors of the c-Met Kinase.
J.Med.Chem., 51, 2008
3EFK
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STRUCTURE OF C-MET WITH PYRIMIDONE INHIBITOR 50
Descriptor:Hepatocyte growth factor receptor, 5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3H)-one
Authors:Bellon, S.F., D'Angelo, N., Whittington, D., Dussault, I.
Deposit date:2008-09-09
Release date:2008-10-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design, synthesis, and biological evaluation of potent c-Met inhibitors.
J.Med.Chem., 51, 2008
3I5N
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CRYSTAL STRUCTURE OF C-MET WITH TRIAZOLOPYRIDAZINE INHIBITOR 13
Descriptor:Hepatocyte growth factor receptor, 7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
Authors:Bellon, S.F., Whittington, D.A., Long, A.M., Boezio, A.A.
Deposit date:2009-07-06
Release date:2010-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and optimization of potent and selective triazolopyridazine series of c-Met inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
3U6H
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CRYSTAL STRUCTURE OF C-MET IN COMPLEX WITH PYRAZOLONE INHIBITOR 26
Descriptor:Hepatocyte growth factor receptor, N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
Authors:Bellon, S.F., Whittington, D.A., Long, A.L.
Deposit date:2011-10-12
Release date:2012-02-22
Last modified:2012-05-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
3U6I
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CRYSTAL STRUCTURE OF C-MET IN COMPLEX WITH PYRAZOLONE INHIBITOR 58A
Descriptor:Hepatocyte growth factor receptor, N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
Authors:Bellon, S.F., Whittington, D.A., Long, A.L.
Deposit date:2011-10-12
Release date:2012-02-22
Last modified:2012-05-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
4YK0
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CRYSTAL STRUCTURE OF THE CBP BROMODOMAIN IN COMPLEX WITH CPI098
Descriptor:CREB-binding protein, (4R)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL
Authors:Bellon, S.F., Jayaram, H.
Deposit date:2015-03-03
Release date:2016-04-20
Last modified:2016-07-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Regulatory T Cell Modulation by CBP/EP300 Bromodomain Inhibition.
J.Biol.Chem., 291, 2016
5KR7
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KDM4C BOUND TO PYRAZOLO-PYRIMIDINE SCAFFOLD
Descriptor:Lysine-specific demethylase 4C, FE (II) ION, ZINC ION, ...
Authors:Bellon, S.F., Poy, F., Setser, J.W.
Deposit date:2016-07-07
Release date:2016-08-17
Last modified:2016-08-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of potent, selective KDM5 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
3CCN
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X-RAY STRUCTURE OF C-MET WITH TRIAZOLOPYRIDAZINE INHIBITOR.
Descriptor:Hepatocyte growth factor receptor, 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
Authors:Abrecht, B.K., Harmange, J.-C., Bauer, D., Dussault, I., long, A., Bellon, S.F.
Deposit date:2008-02-26
Release date:2008-04-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Optimization of Triazolopyridazines as Potent and Selective Inhibitors of the c-Met Kinase.
J.Med.Chem., 51, 2008
4DEG
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CRYSTAL STRUCTURE OF C-MET IN COMPLEX WITH TRIAZOLOPYRIDAZINE INHIBITOR 2
Descriptor:Hepatocyte growth factor receptor, 7-methoxy-N-{[6-(3-methyl-1,2-thiazol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1,5-naphthyridin-4-amine
Authors:Whittington, D.A., Bellon, S.F., Long, A.M.
Deposit date:2012-01-20
Release date:2012-05-30
Last modified:2012-06-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and optimization of a potent and selective triazolopyridinone series of c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4DEH
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CRYSTAL STRUCTURE OF C-MET IN COMPLEX WITH TRIAZOLOPYRIDINONE INHIBITOR 3
Descriptor:Hepatocyte growth factor receptor, 5-phenyl-3-(quinolin-6-ylmethyl)-3,5,6,7-tetrahydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one
Authors:Whittington, D.A., Bellon, S.F., Long, A.M.
Deposit date:2012-01-20
Release date:2012-05-30
Last modified:2012-06-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and optimization of a potent and selective triazolopyridinone series of c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4X7H
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CO-CRYSTAL STRUCTURE OF PERK BOUND TO N-{5-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]PYRIDIN-2-YL}-1-METHYL-3-OXO-2-PHENYL-5-(PYRIDIN-4-YL)-2,3-DIHYDRO-1H-PYRAZOLE-4-CARBOXAMIDE INHIBITOR
Descriptor:Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide, SULFATE ION
Authors:Shaffer, P.L., Bellon, S.F., Long, A.M., Chen, H.
Deposit date:2014-12-09
Release date:2015-02-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
5DBM
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CRYSTAL STRUCTURE OF THE CBP BROMODOMAIN IN COMPLEX WITH CPI703
Descriptor:CREB-binding protein, (4R)-6-(1-tert-butyl-1H-pyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Authors:Setser, J.W., Poy, F., Bellon, S.F.
Deposit date:2015-08-21
Release date:2016-04-20
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Regulatory T Cell Modulation by CBP/EP300 Bromodomain Inhibition.
J.Biol.Chem., 291, 2016
5I1Q
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SECOND BROMODOMAIN OF TAF1 BOUND TO A PYRROLOPYRIDONE COMPOUND
Descriptor:Transcription initiation factor TFIID subunit 1, 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide
Authors:Tang, Y., Poy, F., Bellon, S.F.
Deposit date:2016-01-09
Release date:2016-06-08
Last modified:2016-06-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
5I29
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TAF1(2) BOUND TO A PYRROLOPYRIDONE COMPOUND
Descriptor:Transcription initiation factor TFIID subunit 1, N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide, CALCIUM ION
Authors:Tang, Y., Poy, F., Bellon, S.F.
Deposit date:2016-02-08
Release date:2016-06-08
Last modified:2016-06-22
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
2OO8
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SYNTHESIS, STRUCTURAL ANALYSIS, AND SAR STUDIES OF TRIAZINE DERIVATIVES AS POTENT, SELECTIVE TIE-2 INHIBITORS
Descriptor:Angiopoietin-1 receptor, N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE
Authors:Bellon, S.F., Kim, J.
Deposit date:2007-01-25
Release date:2007-03-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Synthesis, structural analysis, and SAR studies of triazine derivatives as potent, selective Tie-2 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2OSC
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SYNTHESIS, STRUCTURAL ANALYSIS, AND SAR STUDIES OF TRIAZINE DERIVATIVES AS POTENT, SELECTIVE TIE-2 INHIBITORS
Descriptor:Angiopoietin-1 receptor, N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE
Authors:Bellon, S.F., Kim, J.
Deposit date:2007-02-05
Release date:2007-03-20
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Synthesis, structural analysis, and SAR studies of triazine derivatives as potent, selective Tie-2 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2P4I
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EVOLUTION OF A HIGHLY SELECTIVE AND POTENT 2-(PYRIDIN-2-YL)-1,3,5-TRIAZINE TIE-2 KINASE INHIBITOR
Descriptor:Angiopoietin-1 receptor, 4-METHYL-3-({3-[2-(METHYLAMINO)PYRIMIDIN-4-YL]PYRIDIN-2-YL}OXY)-N-[2-MORPHOLIN-4-YL-5-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
Authors:Bellon, S.F.
Deposit date:2007-03-12
Release date:2007-03-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Evolution of a highly selective and potent 2-(pyridin-2-yl)-1,3,5-triazine Tie-2 kinase inhibitor.
J.Med.Chem., 50, 2007
3EFW
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STRUCTURE OF AURORAA WITH PYRIDYL-PYRIMIDINE UREA INHIBITOR
Descriptor:Serine/threonine-protein kinase 6, 1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea, SULFATE ION
Authors:Bellon, S.F., Cee, V., Hughes, P., Geuns-Meyer, S., Whittington, D.
Deposit date:2008-09-10
Release date:2008-12-23
Last modified:2013-06-26
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase.
Bioorg.Med.Chem.Lett., 19, 2009
4X2I
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DISCOVERY OF BENZOTRIAZOLO DIAZEPINES AS ORALLY-ACTIVE INHIBITORS OF BET BROMODOMAINS: CRYSTAL STRUCTURE OF BRD4 WITH CPI-13
Descriptor:Bromodomain-containing protein 4, FORMIC ACID, (4R)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
Authors:Bellon, S.F., Jayaram, H., Poy, F.
Deposit date:2014-11-26
Release date:2015-11-11
Last modified:2016-03-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Discovery of Benzotriazolo[4,3-d][1,4]diazepines as Orally Active Inhibitors of BET Bromodomains.
Acs Med.Chem.Lett., 7, 2016
5T3Q
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CRYSTAL STRUCTURE OF THE C-MET KINASE DOMAIN IN COMPLEX WITH A PYRAZOLONE INHIBITOR
Descriptor:Hepatocyte growth factor receptor, N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
Authors:Bellon, S.F., Whittington, D.A., Long, A.M.
Deposit date:2016-08-26
Release date:2016-09-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of AMG337: Using structure guided scaffold hydridization to optimize physicochemical properties and target coverage of a MET kinase inhibitor
to be published
3EFJ
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STRUCTURE OF C-MET WITH PYRIMIDONE INHIBITOR 7
Descriptor:Hepatocyte growth factor receptor, 2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3H)-one
Authors:D'Angelo, N., Bellon, S., Whittington, D.
Deposit date:2008-09-09
Release date:2008-10-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design, synthesis, and biological evaluation of potent c-Met inhibitors.
J.Med.Chem., 51, 2008
4YY4
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CRYSTAL STRUCTURE OF BRD9 BROMODOMAIN BOUND TO DMSO
Descriptor:Bromodomain-containing protein 9, DIMETHYL SULFOXIDE
Authors:Tang, Y., Bellon, S., Cochran, A.G., Poy, F.
Deposit date:2015-03-23
Release date:2015-09-16
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications.
Structure, 23, 2015
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