Author results

6FFD
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HUMAN BRD4 C-TERMINAL BROMODOMAIN WITH 1-(4-(3-METHYLBENZYL)-3,4-DIHYDROQUINOXALIN-1(2H)-YL)ETHANONE
Descriptor:Bromodomain-containing protein 4, 1-(4-(3-methylbenzyl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone
Authors:Chung, C.
Deposit date:2018-01-06
Release date:2019-01-30
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Design and Synthesis of Tetrahydroquinoxalines as Domain Selective BET Inhibitors
To Be Published
6FFE
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HUMAN BRD2 C-TERMINAL BROMODOMAIN WITH 2-((4-ACETYL-3-CYCLOPROPYL-3,4-DIHYDROQUINOXALIN-1(2H)-YL)METHYL)BENZOIC ACID
Descriptor:Bromodomain-containing protein 2, DI(HYDROXYETHYL)ETHER, 1,2-ETHANEDIOL, ...
Authors:Chung, C.
Deposit date:2018-01-07
Release date:2019-01-30
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Design and Synthesis of Tetrahydroquinoxalines as Domain Selective BET Inhibitors
To Be Published
6FFF
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HUMAN BRD2 C-TERMINAL BROMODOMAIN WITH (S)-5-(1-ACETYL-2-CYCLOPROPYL-4-(2-(HYDROXYMETHYL)BENZYL)-1,2,3,4-TETRAHYDROQUINOXALIN-6-YL)PYRIMIDINE-2-CARBOXAMIDE
Descriptor:Bromodomain-containing protein 2, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Chung, C.
Deposit date:2018-01-07
Release date:2019-01-30
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Design and Synthesis of Tetrahydroquinoxalines as Domain Selective BET Inhibitors
To Be Published
6FFG
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HUMAN BRD2 C-TERMINAL BROMODOMAIN WITH (S)-1-(2-CYCLOPROPYL-4-(2-(HYDROXYMETHYL)BENZYL)-6-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)-3,4-DIHYDROQUINOXALIN-1(2H)-YL)ETHANONE
Descriptor:Bromodomain-containing protein 2, 1,2-ETHANEDIOL, (S)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone, ...
Authors:Chung, C.
Deposit date:2018-01-07
Release date:2019-01-30
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Design and Synthesis of Tetrahydroquinoxalines as Domain Selective BET Inhibitors
To Be Published
5FV1
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CRYSTAL STRUCTURE OF HVEGF IN COMPLEX WITH VK DOMAIN ANTIBODY
Descriptor:VK DOMAIN ANTIBODY, VASCULAR ENDOTHELIAL GROWTH FACTOR A
Authors:Chung, C., Walker, A.
Deposit date:2016-02-02
Release date:2016-02-17
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Novel Interaction Mechanism of a Domain Antibody Based Inhibitor of Human Vascular Endothelial Growth Factor with Greater Potency Than Ranibizumab and Bevacizumab and Improved Capacity Over Aflibercept.
J.Biol.Chem., 291, 2016
5FV2
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CRYSTAL STRUCTURE OF HVEGF IN COMPLEX WITH VH DOMAIN ANTIBODY
Descriptor:VH DOMAIN ANTIBODY, VASCULAR ENDOTHELIAL GROWTH FACTOR
Authors:Chung, C., Batuwangala, T.
Deposit date:2016-02-02
Release date:2016-02-17
Last modified:2016-03-23
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Novel Interaction Mechanism of a Domain Antibody Based Inhibitor of Human Vascular Endothelial Growth Factor with Greater Potency Than Ranibizumab and Bevacizumab and Improved Capacity Over Aflibercept.
J.Biol.Chem., 291, 2016
2XUE
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CRYSTAL STRUCTURE OF JMJD3
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 6B, ZINC ION, SULFATE ION, ...
Authors:Chung, C., Rowland, P., Mosley, J., Thomas, P.J.
Deposit date:2010-10-19
Release date:2011-12-28
Last modified:2012-08-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
Nature, 488, 2012
4ASK
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CRYSTAL STRUCTURE OF JMJD3 WITH GSK-J1
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 6B, ZINC ION, 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, ...
Authors:Chung, C., Mosley, J., Liddle, J.
Deposit date:2012-05-01
Release date:2012-07-25
Last modified:2012-08-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
Nature, 488, 2012
4AWI
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HUMAN JNK1ALPHA KINASE WITH 4-PHENYL-7-AZAINDOLE IKK2 INHIBITOR.
Descriptor:MITOGEN-ACTIVATED PROTEIN KINASE 8, N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-4-[2-(1-methylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide, SULFATE ION
Authors:Chung, C., Vicentini, G., Liddle, J., Bamborough, P.
Deposit date:2012-06-03
Release date:2013-05-01
Last modified:2014-07-30
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:4-Phenyl-7-Azaindoles as Potent, Selective and Bioavailable Ikk2 Inhibitors Demonstrating Good in Vivo Efficacy.
Bioorg.Med.Chem.Lett., 22, 2012
5A5N
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CRYSTAL STRUCTURE OF HUMAN ATAD2 BROMODOMAIN IN COMPLEX WITH (2S)-2,6- DIACETAMIDO-N-METHYLHEXANAMIDE
Descriptor:ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, 1,2-ETHANEDIOL, (2S)-2,6-diacetamido-N-methyl-hexanamide, ...
Authors:Chung, C., Bamborough, P., Demont, E.
Deposit date:2015-06-20
Release date:2015-07-22
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5A5O
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CRYSTAL STRUCTURE OF HUMAN ATAD2 BROMODOMAIN IN COMPLEX WITH 3-METHYL- 1,2-DIHYDROQUINOLIN-2-ONE
Descriptor:ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, 1,2-ETHANEDIOL, 3-METHYL-1,2-DIHYDROQUINOLIN-2-ONE, ...
Authors:Chung, C., Bamborough, P., Demont, E.
Deposit date:2015-06-20
Release date:2015-07-22
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5A5P
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CRYSTAL STRUCTURE OF HUMAN ATAD2 BROMODOMAIN IN COMPLEX WITH 8-2-(DIMETHYLAMINO)ETHYLAMINO-3-METHYL-1,2-DIHYDROQUINOLIN-2-ONE
Descriptor:ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, 1,2-ETHANEDIOL, 8-{[2-(dimethylamino)ethyl]amino}-3-methyl-1,2-dihydroquinolin-2-one, ...
Authors:Chung, C., Bamborough, P., Demont, E.
Deposit date:2015-06-20
Release date:2015-07-22
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5A5Q
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CRYSTAL STRUCTURE OF HUMAN ATAD2 BROMODOMAIN IN COMPLEX WITH 3-METHYL- 8-PIPERIDIN-4-YLAMINO-1,2-DIHYDRO-1,7-NAPHTHYRIDIN-2-ONE HYDROCHLORIDE
Descriptor:ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, 1,2-ETHANEDIOL, 3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one, ...
Authors:Chung, C., Bamborough, P., Demont, E.
Deposit date:2015-06-20
Release date:2015-07-22
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5A5R
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CRYSTAL STRUCTURE OF HUMAN ATAD2 BROMODOMAIN IN COMPLEX WITH 5-5- METHOXYPYRIDIN-3-YL-3-METHYL-8-PIPERIDIN-4-YLAMINO-1,2-DIHYDRO-1,7- NAPHTHYRIDIN-2-ONE
Descriptor:ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, 1,2-ETHANEDIOL, 5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one, ...
Authors:Chung, C., Bamborough, P., Demont, E.
Deposit date:2015-06-20
Release date:2015-07-22
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5A5S
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NN-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-5-METHOXYPYRIDIN-3-YL-3- METHYL-8-PIPERIDIN-4-YLAMINO-1,2-DIHYDRO-1,7-NAPHTHYRIDIN-2-ONE
Descriptor:BROMODOMAIN-CONTAINING PROTEIN 4, 1,2-ETHANEDIOL, 5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one
Authors:Chung, C., Bamborough, P., Demont, E.
Deposit date:2015-06-20
Release date:2015-07-22
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5A81
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CRYSTAL STRUCTURE OF HUMAN ATAD2 BROMODOMAIN IN COMPLEX WITH 8-(3R,4R) -3-(CYCLOHEXYLMETHOXY)PIPERIDIN-4-YL-AMINO-3-METHYL-1,2-DIHYDRO-1,7- NAPHTHYRIDIN-2-ONE
Descriptor:ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, 1,2-ETHANEDIOL, (3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino}-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one, ...
Authors:Chung, C., Bamborough, P., Demont, E.
Deposit date:2015-07-11
Release date:2015-08-12
Last modified:2015-08-26
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structure-Based Optimization of Naphthyridones Into Potent Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5A82
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CRYSTAL STRUCTURE OF HUMAN ATAD2 BROMODOMAIN IN COMPLEX WITH 4-(3R,4R) -4-(3-METHYL-2-OXO-1,2-DIHYDRO-1,7-NAPHTHYRIDIN-8-YL)AMINOPIPERIDIN-3- YLOXYMETHYL)-1-THIANE-1,1-DIONE
Descriptor:ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, 1,2-ETHANEDIOL, 8-[[(3R,4R)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one, ...
Authors:Chung, C., Bamborough, P., Demont, E.
Deposit date:2015-07-11
Release date:2015-08-12
Last modified:2015-08-26
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure-Based Optimization of Naphthyridones Into Potent Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5A83
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CRYSTAL STRUCTURE OF HUMAN ATAD2 BROMODOMAIN IN COMPLEX WITH 4-((3R, 4R)-4-3-METHYL-5-(5-METHYLPYRIDIN-3-YL)-2-OXO-1,2-DIHYDROQUINOLIN-8- YL-AMINOPIPERIDIN-3-YLOXYMETHYL)-1-THIANE-1,1-DIONE
Descriptor:ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, 1,2-ETHANEDIOL, 8-[[(3R,4R)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1H-quinolin-2-one, ...
Authors:Chung, C., Bamborough, P., Demont, E.
Deposit date:2015-07-11
Release date:2015-08-12
Last modified:2015-08-26
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure-Based Optimization of Naphthyridones Into Potent Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5A85
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N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 8-(3R,4R)-3-(CYCLOHEXYLMETHOXY)PIPERIDIN-4-YLAMINO-3-METHYL-1,2-DIHYDRO-1,7- NAPHTHYRIDIN-2-ONE
Descriptor:BROMODOMAIN-CONTAINING PROTEIN 4, 1,2-ETHANEDIOL, (3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino}-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one
Authors:Chung, C., Bamborough, P., Demont, E.
Deposit date:2015-07-11
Release date:2015-08-12
Last modified:2015-08-26
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structure-Based Optimization of Naphthyridones Into Potent Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5FP3
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CELL PENETRANT INHIBITORS OF THE JMJD2 (KDM4) AND JARID1 (KDM5) FAMILIES OF HISTONE LYSINE DEMETHYLASES
Descriptor:HUMAN LYSINE-SPECIFIC DEMETHYLASE 6B, JMJD3, 3-(4-PHENYLBUTANAMIDO)PYRIDINE-4-CARBOXYLIC ACID, ...
Authors:Chung, C.
Deposit date:2015-11-27
Release date:2016-01-27
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5FP4
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CRYSTAL STRUCTURE OF HUMAN KDM4D IN COMPLEX WITH 3-(4- PHENYLBUTANAMIDO)PYRIDINE-4-CARBOXYLIC ACID
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4D, ZINC ION, FE (II) ION, ...
Authors:Chung, C.
Deposit date:2015-11-27
Release date:2016-01-27
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5FP8
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CRYSTAL STRUCTURE OF HUMAN KDM4D IN COMPLEX WITH 3-4-METHYLTHIOPHEN-2- YLMETHYLAMINOPYRIDINE-4-CARBOXYLIC ACID
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4D, ZINC ION, COBALT (II) ION, ...
Authors:Chung, C.
Deposit date:2015-11-27
Release date:2016-01-27
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5FP9
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CRYSTAL STRUCTURE OF HUMAN KDM4D IN COMPLEX WITH 3-AMINOPYRIDINE-4- CARBOXYLIC ACID
Descriptor:HUMAN LYSINE-SPECIFIC DEMETHYLASE 4D JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROTEIN 3D, JUMONJI DOMAIN-CONTAINING PROTEIN 2D, JMJD2D, ...
Authors:Chung, C.
Deposit date:2015-11-27
Release date:2016-01-27
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5FPA
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CRYSTAL STRUCTURE OF HUMAN KDM4D IN COMPLEX WITH 3H,4H-PYRIDO-3,4-D- PYRIMIDIN-4-ONE
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4D, ZINC ION, COBALT (II) ION, ...
Authors:Chung, C.
Deposit date:2015-11-27
Release date:2016-01-27
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5FPB
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CRYSTAL STRUCTURE OF HUMAN KDM4D IN COMPLEX WITH 2-1H-PYRAZOL-4-YLOXY- 3H,4H-PYRIDO-3,4-D-PYRIMIDIN-4-ONE
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4D, ZINC ION, COBALT (II) ION, ...
Authors:Chung, C.
Deposit date:2015-11-27
Release date:2016-01-27
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016