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5N1V
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CRYSTAL STRUCTURE OF THE PROTEIN KINASE CK2 CATALYTIC SUBUNIT IN COMPLEX WITH PYRAZOLO-PYRIMIDINE MACROCYCLIC LIGAND
Descriptor:Casein kinase II subunit alpha, SULFATE ION, 1,2-ETHANEDIOL, ...
Authors:Robb, G., Ferguson, A., Hargreaves, D.
Deposit date:2017-02-06
Release date:2017-05-17
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
5N1X
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CRYSTAL STRUCTURE OF THE BCL6 BTB DOMAIN IN COMPLEX WITH PYRAZOLO-PYRIMIDINE LIGAND
Descriptor:B-cell lymphoma 6 protein, ~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine
Authors:Robb, G., Ferguson, A., Hargreaves, D.
Deposit date:2017-02-06
Release date:2017-05-17
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
5N1Z
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CRYSTAL STRUCTURE OF THE BCL6 BTB DOMAIN IN COMPLEX WITH PYRAZOLO-PYRIMIDINE MACROCYCLIC LIGAND
Descriptor:B-cell lymphoma 6 protein, CHLORIDE ION, pyrazolo-pyrimidine macrocycle
Authors:Robb, G., Ferguson, A., Hargreaves, D.
Deposit date:2017-02-06
Release date:2017-05-17
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
5N20
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CRYSTAL STRUCTURE OF THE BCL6 BTB DOMAIN IN COMPLEX WITH PYRAZOLO-PYRIMIDINE LIGAND
Descriptor:B-cell lymphoma 6 protein, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide
Authors:Robb, G., Ferguson, A., Hargreaves, D.
Deposit date:2017-02-06
Release date:2017-05-17
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
5N21
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CRYSTAL STRUCTURE OF THE BCL6 BTB DOMAIN IN COMPLEX WITH PYRAZOLO-PYRIMIDINE LIGAND
Descriptor:B-cell lymphoma 6 protein, CHLORIDE ION, 2-[(2~{S})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid
Authors:Robb, G., Ferguson, A., Hargreaves, D.
Deposit date:2017-02-06
Release date:2017-05-17
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
6EW6
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CRYSTAL STRUCTURE OF THE BCL6 BTB DOMAIN IN COMPLEX WITH ANILINOPYRIMIDINE LIGAND
Descriptor:B-cell lymphoma 6 protein, ~{N}2-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
Authors:Robb, G., Ferguson, A., Hargreaves, D.
Deposit date:2017-11-03
Release date:2018-10-24
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Development of a Novel B-Cell Lymphoma 6 (BCL6) PROTAC To Provide Insight into Small Molecule Targeting of BCL6.
ACS Chem. Biol., 13, 2018
6EW7
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CRYSTAL STRUCTURE OF THE BCL6 BTB DOMAIN IN COMPLEX WITH ANILINOPYRIMIDINE LIGAND
Descriptor:B-cell lymphoma 6 protein, CHLORIDE ION, 2-chloranyl-4-[[5-chloranyl-4-[(4-fluorophenyl)amino]pyrimidin-2-yl]amino]benzoic acid
Authors:Robb, G., Ferguson, A., Hargreaves, D.
Deposit date:2017-11-03
Release date:2018-10-24
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Development of a Novel B-Cell Lymphoma 6 (BCL6) PROTAC To Provide Insight into Small Molecule Targeting of BCL6.
ACS Chem. Biol., 13, 2018
6EW8
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CRYSTAL STRUCTURE OF THE BCL6 BTB DOMAIN IN COMPLEX WITH ANILINOPYRIMIDINE LIGAND
Descriptor:B-cell lymphoma 6 protein, CHLORIDE ION, anilinopyrimidine ligand
Authors:Robb, G., Ferguson, A., Hargreaves, D.
Deposit date:2017-11-03
Release date:2018-10-24
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Development of a Novel B-Cell Lymphoma 6 (BCL6) PROTAC To Provide Insight into Small Molecule Targeting of BCL6.
ACS Chem. Biol., 13, 2018
4IWV
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CRYSTALS STRUCTURE OF HUMAN GLUCOKINASE IN COMPLEX WITH SMALL MOLECULE ACTIVATOR
Descriptor:Glucokinase isoform 3, SODIUM ION, ALPHA-D-GLUCOSE, ...
Authors:Ogg, D.J., Hargreaves, D., Gerhardt, S., Flavell, L., McAlister, M.
Deposit date:2013-01-24
Release date:2013-04-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Optimising pharmacokinetics of glucokinase activators with matched triplicate design sets the discovery of AZD3651 and AZD9485
To be Published
6FH5
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PI3KG IN COMPLEX WITH COMPOUND 7
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one
Authors:Petersen, J., Barlaam, B.
Deposit date:2018-01-12
Release date:2019-01-30
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Discovery and Optimisation of a Novel Series of 3-Cinnoline Carboxamides as Orally Bioavailable, Highly Potent and Selective Ataxia Telangiectasia Mutated (ATM) inhibitors
To Be Published