5JJ0
 
 | | Structure of G9a SET-domain with Histone H3K9M peptide and excess SAH | | Descriptor: | Histone H3K9M mutant peptide, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ... | | Authors: | Jayaram, H, Bellon, S.F, Poy, F. | | Deposit date: | 2016-04-22 | | Release date: | 2016-07-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | S-adenosyl methionine is necessary for inhibition of the methyltransferase G9a by the lysine 9 to methionine mutation on histone H3.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3EFJ
 | | Structure of c-Met with pyrimidone inhibitor 7 | | Descriptor: | 2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor | | Authors: | D'Angelo, N, Bellon, S, Whittington, D. | | Deposit date: | 2008-09-09 | | Release date: | 2008-10-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Design, synthesis, and biological evaluation of potent c-Met inhibitors.
J.Med.Chem., 51, 2008
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5KTU
 | | Crystal structure of the bromodomain of human CREBBP bound to pyrazolopiperidine scaffold | | Descriptor: | 1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone, CREB-binding protein, DIMETHYL SULFOXIDE | | Authors: | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | | Deposit date: | 2016-07-12 | | Release date: | 2016-11-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
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5JHN
 | | Structure of G9a SET-domain with Histone H3K9Ala mutant peptide and bound S-adenosylmethionine | | Descriptor: | Histone H3.1 peptide with K9A mutation, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ... | | Authors: | Jayaram, H, Bellon, S.F, Poy, F. | | Deposit date: | 2016-04-21 | | Release date: | 2016-07-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | S-adenosyl methionine is necessary for inhibition of the methyltransferase G9a by the lysine 9 to methionine mutation on histone H3.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5JIN
 | | Structure of G9a SET-domain with Histone H3K9M mutant peptide and bound S-adenosylmethionine | | Descriptor: | Histone H3.1 peptide with K9M mutation, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ... | | Authors: | Jayaram, H, Bellon, S.F, Poy, F. | | Deposit date: | 2016-04-22 | | Release date: | 2016-07-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | S-adenosyl methionine is necessary for inhibition of the methyltransferase G9a by the lysine 9 to methionine mutation on histone H3.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5JIY
 | | Structure of G9a SET-domain with Histone H3K9norLeucine mutant peptide and bound S-adenosylmethionine | | Descriptor: | Histone H3.1 mutant peptide with H3K9nor-leucine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ... | | Authors: | Jayaram, H, Bellon, S.F, Poy, F. | | Deposit date: | 2016-04-22 | | Release date: | 2016-09-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | S-adenosyl methionine is necessary for inhibition of the methyltransferase G9a by the lysine 9 to methionine mutation on histone H3.
Proc.Natl.Acad.Sci.USA, 113, 2016
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4YY4
 | | 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: | 2023-09-27 | | 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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4YY6
 | | Crystal structure of BRD9 Bromodomain bound to a butyryllysine peptide | | Descriptor: | Bromodomain-containing protein 9, Histone H4 | | Authors: | Tang, Y, Bellon, S, Cochran, A.G, Poy, F. | | Deposit date: | 2015-03-23 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications.
Structure, 23, 2015
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4YYD
 | | Crystal structure of BRD9 Bromodomain bound to a crotonyllysine peptide | | Descriptor: | Bromodomain-containing protein 9, Histone H4 | | Authors: | Tang, Y, Bellon, S, Cochran, A.G, Poy, F. | | Deposit date: | 2015-03-23 | | Release date: | 2015-09-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications.
Structure, 23, 2015
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4YYH
 | | Crystal structure of BRD9 Bromodomain bound to a crotonyllysine peptide | | Descriptor: | Bromodomain-containing protein 9, Histone H4 | | Authors: | Tang, Y, Bellon, S, Cochran, A.G, Poy, F. | | Deposit date: | 2015-03-23 | | Release date: | 2015-09-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications.
Structure, 23, 2015
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4YYN
 | | Crystal structure of TAF1 BD2 Bromodomain bound to a crotonyllysine peptide | | Descriptor: | Histone H4, Transcription initiation factor TFIID subunit 1 | | Authors: | Tang, Y, Bellon, S, Cochran, A.G, Poy, F. | | Deposit date: | 2015-03-24 | | Release date: | 2015-09-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications.
Structure, 23, 2015
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4YYK
 | | Crystal structure of BRD9 Bromodomain bound to a crotonyllysine peptide | | Descriptor: | Bromodomain-containing protein 9, Histone H4 | | Authors: | Tang, Y, Bellon, S, Cochran, A.G, Poy, F. | | Deposit date: | 2015-03-24 | | Release date: | 2015-09-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications.
Structure, 23, 2015
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4YYI
 | | Crystal structure of BRD9 Bromodomain bound to an acetylated peptide | | Descriptor: | Bromodomain-containing protein 9, Histone H4 | | Authors: | Tang, Y, Bellon, S, Cochran, A.G, Poy, F. | | Deposit date: | 2015-03-23 | | Release date: | 2015-09-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications.
Structure, 23, 2015
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4YYG
 | | Crystal structure of BRD9 Bromodomain bound to a butyryllysine peptide | | Descriptor: | Bromodomain-containing protein 9, Histone H4 | | Authors: | Tang, Y, Bellon, S, Cochran, A.G, Poy, F. | | Deposit date: | 2015-03-23 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications.
Structure, 23, 2015
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4YYJ
 | | Crystal structure of BRD9 Bromodomain bound to a butyryllysine peptide | | Descriptor: | Bromodomain-containing protein 9, Histone H4 | | Authors: | Tang, Y, Bellon, S, Cochran, A.G, Poy, F. | | Deposit date: | 2015-03-23 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications.
Structure, 23, 2015
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4DEI
 | | Crystal structure of c-Met in complex with triazolopyridinone inhibitor 24 | | Descriptor: | 3-{(1S)-1-[3-(2-methoxyethoxy)quinolin-6-yl]ethyl}-5-(3-methyl-1,2-thiazol-5-yl)-3,5-dihydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one, Hepatocyte growth factor receptor | | Authors: | Whittington, D.A, Long, A.M. | | Deposit date: | 2012-01-20 | | Release date: | 2012-05-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery and optimization of a potent and selective triazolopyridinone series of c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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4YYM
 | | Crystal structure of TAF1 BD2 Bromodomain bound to a butyryllysine peptide | | Descriptor: | CALCIUM ION, Histone H4, Transcription initiation factor TFIID subunit 1 | | Authors: | Tang, Y, Bellon, S, Cochran, A.G, Poy, F. | | Deposit date: | 2015-03-24 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications.
Structure, 23, 2015
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5HM0
 | | Crystal structure of the first bromodomain of human BRD4 bound to benzoisoxazoloazepine 3 | | Descriptor: | 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine, Bromodomain-containing protein 4 | | Authors: | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | | Deposit date: | 2016-01-15 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.395 Å) | | Cite: | Identification of a Benzoisoxazoloazepine Inhibitor (CPI-0610) of the Bromodomain and Extra-Terminal (BET) Family as a Candidate for Human Clinical Trials.
J.Med.Chem., 59, 2016
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5HLS
 | | Crystal structure of the first bromodomain of human BRD4 bound to CPI-0610 | | Descriptor: | Bromodomain-containing protein 4, CPI-0610 | | Authors: | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | | Deposit date: | 2016-01-15 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.182 Å) | | Cite: | Identification of a Benzoisoxazoloazepine Inhibitor (CPI-0610) of the Bromodomain and Extra-Terminal (BET) Family as a Candidate for Human Clinical Trials.
J.Med.Chem., 59, 2016
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5I89
 | | Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02857790 | | Descriptor: | (4R)-6-(3-cyclopropyl-1-methyl-1H-indazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, ACETATE ION, CALCIUM ION, ... | | Authors: | Setser, J.W, Poy, F, Bellon, S.F. | | Deposit date: | 2016-02-18 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
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5I83
 | | Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02773986 | | Descriptor: | (4R)-4-methyl-7-[(1R)-1-phenylethoxy]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, CREB-binding protein, THIOCYANATE ION | | Authors: | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | | Deposit date: | 2016-02-18 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
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5I86
 | | Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02778174 | | Descriptor: | (4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ... | | Authors: | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | | Deposit date: | 2016-02-18 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
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3U6J
 | | Crystal structure of the VEGFR2 kinase domain in complex with a pyrazolone inhibitor | | Descriptor: | N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide, Vascular endothelial growth factor receptor 2 | | Authors: | Whittington, D.A, Long, A, Rose, P, Gu, Y, Zhao, H. | | Deposit date: | 2011-10-12 | | Release date: | 2012-02-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
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4X7N
 | | Co-crystal Structure of PERK bound to 4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor | | Descriptor: | 4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, L(+)-TARTARIC ACID | | Authors: | Shaffer, P.L, Long, A.M, Chen, H. | | Deposit date: | 2014-12-09 | | Release date: | 2015-01-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.35 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
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4X7J
 | | Co-crystal Structure of PERK with 2-amino-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide inhibitor | | Descriptor: | 2-amino-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, L(+)-TARTARIC ACID | | Authors: | Shaffer, P.L, Long, A.M, Chen, H. | | Deposit date: | 2014-12-09 | | Release date: | 2015-01-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 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
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