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2XXZ
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CRYSTAL STRUCTURE OF THE HUMAN JMJD3 JUMONJI DOMAIN
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 6B, NICKEL (II) ION, SODIUM ION, ...
Authors:Che, K.H., Yue, W.W., Krojer, T., Muniz, J.R.C., Ng, S.S., Tumber, A., Daniel, M., Burgess-Brown, N., Savitsky, P., Ugochukwu, E., Filippakopoulos, P., Arrowsmith, C., Weigelt, J., Edwards, A., Bountra, C., Oppermann, U.
Deposit date:2010-11-12
Release date:2010-11-24
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the Human Jmjd3 Jumonji Domain
To be Published
2Y7J
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STRUCTURE OF HUMAN PHOSPHORYLASE KINASE, GAMMA 2
Descriptor:PHOSPHORYLASE B KINASE GAMMA CATALYTIC CHAIN, TESTIS/LIVER ISOFORM, 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:Muniz, J.R.C., Shrestha, A., Savitsky, P., Wang, J., Rellos, P., Fedorov, O., Burgess-Brown, N., Brenner, B., Berridge, G., Elkins, J.M., Krojer, T., Vollmar, M., Che, K.H., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S.
Deposit date:2011-01-31
Release date:2011-02-09
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Human Phosphorylase Kinase, Gamma 2
To be Published
3PRY
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CRYSTAL STRUCTURE OF THE MIDDLE DOMAIN OF HUMAN HSP90-BETA REFINED AT 2.3 A RESOLUTION
Descriptor:Heat shock protein HSP 90-beta, SULFATE ION, GLYCEROL, ...
Authors:Chaikuad, A., Pilka, E., Sharpe, T.D., Cooper, C.D.O., Phillips, C., Berridge, G., Ayinampudi, V., Fedorov, O., Keates, T., Thangaratnarajah, C., Zimmermann, T., Vollmar, M., Yue, W.W., Che, K.H., Krojer, T., Muniz, J.R.C., von Delft, F., Bountra, C., Arrowsmith, C.H., Weigelt, J., Edwards, A., Bullock, A., Structural Genomics Consortium (SGC)
Deposit date:2010-11-30
Release date:2010-12-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of the middle domain of human HSP90-beta refined at 2.3 A resolution
To be Published
3Q8T
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CRYSTAL STRUCTURE OF THE COILED COIL DOMAIN OF BECLIN 1, AN ESSENTIAL AUTOPHAGY PROTEIN
Descriptor:Beclin-1
Authors:Li, X., Zhao, Y.
Deposit date:2011-01-07
Release date:2012-01-18
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Imperfect interface of Beclin1 coiled-coil domain regulates homodimer and heterodimer formation with Atg14L and UVRAG
Nat Commun, 3, 2012
3U4S
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HISTONE LYSINE DEMETHYLASE JMJD2A IN COMPLEX WITH T11C PEPTIDE SUBSTRATE CROSSLINKED TO N-OXALYL-D-CYSTEINE
Descriptor:Lysine-specific demethylase 4A, HISTONE 3 TAIL ANALOG (T11C Peptide), NICKEL (II) ION, ...
Authors:Ma, J., McDonough, M.A., Schofield, C.J.
Deposit date:2011-10-10
Release date:2012-02-08
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Linking of 2-Oxoglutarate and Substrate Binding Sites Enables Potent and Highly Selective Inhibition of JmjC Histone Demethylases.
Angew.Chem.Int.Ed.Engl., 51, 2012
4AI8
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FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH DAMINOZIDE
Descriptor:HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, SULFATE ION, GLYCEROL, ...
Authors:King, O.N.F., Chowdhury, R., Rose, N.R., McDonough, M.A., Clifton, I.J., Schofield, C.J., Kawamura, A.
Deposit date:2012-02-08
Release date:2012-10-03
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases.
J. Med. Chem., 55, 2012
4AI9
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JMJD2A COMPLEXED WITH DAMINOZIDE
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, NICKEL (II) ION, ZINC ION, ...
Authors:Chowdhury, R., Schofield, C.J.
Deposit date:2012-02-08
Release date:2012-10-03
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases.
J. Med. Chem., 55, 2012
4BIO
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FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH 8-HYDROXYQUINOLINE-5- CARBOXYLIC ACID
Descriptor:HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, FE (III) ION, 8-hydroxyquinoline-5-carboxylic acid, ...
Authors:Chowdhury, R., Schofield, C.J.
Deposit date:2013-04-12
Release date:2013-04-24
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:5-Carboxy-8-hydroxyquinoline is a Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor which Causes Iron Translocation.
Chem Sci, 4, 2013
4BIS
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JMJD2A COMPLEXED WITH 8-HYDROXYQUINOLINE-4-CARBOXYLIC ACID
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, NICKEL (II) ION, ZINC ION, ...
Authors:Chowdhury, R., Thinnes, C., Schofield, C.J.
Deposit date:2013-04-12
Release date:2014-02-05
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:5-Carboxy-8-hydroxyquinoline is a Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor which Causes Iron Translocation.
Chem Sci, 4, 2013
4JHT
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CRYSTAL STRUCTURE OF ALKB IN COMPLEX WITH 5-CARBOXY-8-HYDROXYQUINOLINE (IOX1)
Descriptor:Alpha-ketoglutarate-dependent dioxygenase AlkB, 8-hydroxyquinoline-5-carboxylic acid, MANGANESE (II) ION, ...
Authors:Aik, W.S., McDonough, M.A., Schofield, C.J.
Deposit date:2013-03-05
Release date:2013-06-26
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:5-Carboxy-8-hydroxyquinoline is a broad spectrum 2-oxoglutarate oxygenase inhibitor which causes iron translocation
CHEM SCI, 4, 2013
4UIT
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BROMODOMAIN OF HUMAN BRD9 WITH 7-(3,4-DIMETHOXYPHENYL)-2-(4- METHANESULFONYLPIPERAZINE-1-CARBONYL)-5-METHYL-4H,5H-THIENO-3,2-C- PYRIDIN-4-ONE
Descriptor:BROMODOMAIN-CONTAINING PROTEIN 9, 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one
Authors:Chung, C., Theodoulou, N.T., Bamborough, P., Humphreys, P.G.
Deposit date:2015-04-03
Release date:2015-04-22
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
4UIU
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BROMODOMAIN OF HUMAN BRD9 WITH 7-(3,4-DIMETHOXYPHENYL)-N-(1,1-DIOXO-1- THIAN-4-YL)-5-METHYL-4-OXO-4H,5H-THIENO-3,2-C-PYRIDINE-2-CARBOXAMIDE
Descriptor:BROMODOMAIN-CONTAINING PROTEIN 9, N-[1,1-bis(oxidanylidene)thian-4-yl]-7-(3,4-dimethoxyphenyl)-5-methyl-4-oxidanylidene-thieno[3,2-c]pyridine-2-carboxamide
Authors:Chung, C., Theodoulou, N.T., Bamborough, P., Humphreys, P.G.
Deposit date:2015-04-03
Release date:2015-04-22
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
4UIV
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BROMODOMAIN OF HUMAN BRD9 WITH N-(1,1-DIOXO-1-THIAN-4-YL)-5-METHYL-4- OXO-7-3-(TRIFLUOROMETHYL)PHENYL-4H,5H-THIENO-3,2-C-PYRIDINE-2- CARBOXIMIDAMIDE
Descriptor:BROMODOMAIN-CONTAINING PROTEIN 9, 1,2-ETHANEDIOL, N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4-oxo-7-3-(trifluoromethyl)phenyl-4H,5H-thieno-3,2-c-pyridine-2-carboximidamide
Authors:Chung, C., Theodoulou, N.T., Bamborough, P., Humphreys, P.G.
Deposit date:2015-04-03
Release date:2015-04-22
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
4UIW
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BROMODOMAIN OF HUMAN BRD9 WITH N-(1,1-DIOXO-1-THIAN-4-YL)-5-ETHYL-4- OXO-7-3-(TRIFLUOROMETHYL)PHENYL-4H,5H-THIENO-3,2-C-PYRIDINE-2- CARBOXIMIDAMIDE
Descriptor:BROMODOMAIN-CONTAINING PROTEIN 9, 1,2-ETHANEDIOL, N'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide
Authors:Chung, C., Theodoulou, N.T., Bamborough, P., Humphreys, P.G.
Deposit date:2015-04-03
Release date:2015-04-22
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
4UIX
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N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 7-(3,4-DIMETHOXYPHENYL)-N-(1,1-DIOXO-1-THIAN-4-YL)-5-METHYL-4-OXO-4H,5H-THIENO-3,2-C-PYRIDINE-2- CARBOXAMIDE
Descriptor:BROMODOMAIN-CONTAINING PROTEIN 4, CALCIUM ION, 1,2-ETHANEDIOL, ...
Authors:Chung, C., Theodoulou, N.T., Bamborough, P., Humphreys, P.G.
Deposit date:2015-04-03
Release date:2015-04-22
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
4UIY
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N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH N-(1,1-DIOXO-1-THIAN-4-YL)- 5-METHYL-4-OXO-7-3-(TRIFLUOROMETHYL)PHENYL-4H,5H-THIENO-3,2-C- PYRIDINE-2-CARBOXIMIDAMIDE
Descriptor:BROMODOMAIN-CONTAINING PROTEIN 4, 1,2-ETHANEDIOL, N-[1,1-bis(oxidanylidene)thian-4-yl]-5-methyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide
Authors:Chung, C., Theodoulou, N.T., Bamborough, P., Humphreys, P.G.
Deposit date:2015-04-03
Release date:2015-04-22
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
4UIZ
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N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 7-(3,4-DIMETHOXYPHENYL)-2-(4-METHANESULFONYLPIPERAZINE-1-CARBONYL)-5-METHYL-4H,5H-THIENO-3,2-C- PYRIDIN-4-ONE
Descriptor:BROMODOMAIN-CONTAINING PROTEIN 4, 1,2-ETHANEDIOL, 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one
Authors:Chung, C., Theodoulou, N.T., Bamborough, P., Humphreys, P.G.
Deposit date:2015-04-03
Release date:2015-04-22
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
5LJ0
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CRYSTAL STRUCTURE OF HUMAN ATAD2 BROMODOMAIN IN COMPLEX WITH 8-(((3R,4R,5S)-3-((4,4-DIFLUOROCYCLOHEXYL)METHOXY)-5-METHOXYPIPERIDIN-4-YL)AMINO)-3-METHYL-5-(5-METHYLPYRIDIN-3-YL)-1,7-NAPHTHYRIDIN-2(1H)-ONE
Descriptor:ATPase family AAA domain-containing protein 2, 1,2-ETHANEDIOL, 8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one, ...
Authors:Chung, C.
Deposit date:2016-07-17
Release date:2016-08-31
Last modified:2016-09-14
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:A Chemical Probe for the ATAD2 Bromodomain.
Angew.Chem.Int.Ed.Engl., 55, 2016
5LJ1
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N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 8-(((3R,4R,5S)-3-((4,4-DIFLUOROCYCLOHEXYL)METHOXY)-5-METHOXYPIPERIDIN-4-YL)AMINO)-3-METHYL-5-(5-METHYLPYRIDIN-3-YL)-1,7-NAPHTHYRIDIN-2(1H)-ONE
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one
Authors:Chung, C., Bamborough, P., Demont, E.
Deposit date:2016-07-17
Release date:2016-08-31
Last modified:2016-09-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Chemical Probe for the ATAD2 Bromodomain.
Angew.Chem.Int.Ed.Engl., 55, 2016
5LJ2
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N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(5-AMINOPYRIDIN-3-YL)-8-(((3R,4R)-3-((1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL)METHOXY)PIPERIDIN-4-YL)AMINO)-3-METHYL-1,7-NAPHTHYRIDIN-2(1H)-ONE
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 5-(5-aminopyridin-3-yl)-8-(((3R,4R)-3-((1,1-dioxidotetrahydro-2H-thiopyran-4-yl)methoxy)piperidin-4-yl)amino)-3-methyl-1,7-naphthyridin-2(1H)-one
Authors:Chung, C., Bamborough, P., Demont, E.
Deposit date:2016-07-17
Release date:2016-08-31
Last modified:2016-09-14
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:A Chemical Probe for the ATAD2 Bromodomain.
Angew.Chem.Int.Ed.Engl., 55, 2016