Author results

5MGE
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CRYSTAL STRUCTURE OF BAZ2B BROMODOMAIN IN COMPLEX WITH 1-METHYLPYRIDINE DERIVATIVE 1
Descriptor:Bromodomain adjacent to zinc finger domain protein 2B, ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate
Authors:Lolli, G., Spiliotopoulos, D., Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MGF
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CRYSTAL STRUCTURE OF BAZ2B BROMODOMAIN IN COMPLEX WITH 4-PROPIONYL-PYRROLE DERIVATIVE 2
Descriptor:Bromodomain adjacent to zinc finger domain protein 2B, methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate
Authors:Lolli, G., Spiliotopoulos, D., Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MGG
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CRYSTAL STRUCTURE OF BAZ2B BROMODOMAIN IN COMPLEX WITH 4-CHLOROPYRIDINE DERIVATIVE 3
Descriptor:Bromodomain adjacent to zinc finger domain protein 2B, 4-chloranyl-~{N}-methyl-pyridine-2-carboxamide
Authors:Lolli, G., Spiliotopoulos, D., Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MGJ
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CRYSTAL STRUCTURE OF BAZ2A BROMODOMAIN IN COMPLEX WITH 1-METHYLPYRIDINE DERIVATIVE 1
Descriptor:Bromodomain adjacent to zinc finger domain protein 2A, ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate
Authors:Lolli, G., Spiliotopoulos, D., Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MGK
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CRYSTAL STRUCTURE OF BAZ2A BROMODOMAIN IN COMPLEX WITH 4-PROPIONYL-PYRROLE DERIVATIVE 2
Descriptor:Bromodomain adjacent to zinc finger domain protein 2A, methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate
Authors:Lolli, G., Spiliotopoulos, D., Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MGL
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CRYSTAL STRUCTURE OF BAZ2A BROMODOMAIN IN COMPLEX WITH 4-CHLOROPYRIDINE DERIVATIVE 3
Descriptor:Bromodomain adjacent to zinc finger domain protein 2A, 4-chloranyl-~{N}-methyl-pyridine-2-carboxamide
Authors:Lolli, G., Spiliotopoulos, D., Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MGM
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CRYSTAL STRUCTURE OF BAZ2A BROMODOMAIN IN COMPLEX WITH ACETOPHENONE DERIVATIVE 4
Descriptor:Bromodomain adjacent to zinc finger domain protein 2A, 1-(3-pyrimidin-2-yloxyphenyl)ethanone
Authors:Lolli, G., Spiliotopoulos, D., Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MPZ
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CRYSTAL STRUCTURE OF CREBBP BROMODOMAIN COMPLEXED WITH CBP007
Descriptor:CREB-binding protein, methyl 2-oxidanylidene-3~{H}-1,3-benzoxazole-6-carboxylate
Authors:Zhu, J., Spiliotopoulos, D., Caflisch, A.
Deposit date:2016-12-19
Release date:2017-05-10
Last modified:2017-05-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
5MQE
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CRYSTAL STRUCTURE OF CREBBP BROMODOMAIN COMPLEXED WITH CBP006
Descriptor:CREB-binding protein, 4-bromanyl-~{N}-methyl-1~{H}-pyrrole-2-carboxamide
Authors:Zhu, J., Spiliotopoulos, D., Caflisch, A.
Deposit date:2016-12-20
Release date:2017-04-19
Last modified:2017-05-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
5MQG
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CRYSTAL STRUCTURE OF CREBBP BROMODOMAIN COMPLEXED WITH CBP015
Descriptor:CREB-binding protein, 1-(4-azanyl-3-methoxy-phenyl)ethanone
Authors:Zhu, J., Spiliotopoulos, D., Caflisch, A.
Deposit date:2016-12-20
Release date:2017-04-19
Last modified:2017-05-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
5MQK
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CRYSTAL STRUCTURE OF CREBBP BROMODOMAIN COMPLEXED WITH CBP019
Descriptor:CREB-binding protein, 1-(1-methylindol-3-yl)ethanone
Authors:Zhu, J., Spiliotopoulos, D., Caflisch, A.
Deposit date:2016-12-20
Release date:2017-04-19
Last modified:2017-05-17
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
2LRI
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NMR STRUCTURE OF THE SECOND PHD FINGER OF AIRE (AIRE-PHD2)
Descriptor:Autoimmune regulator, ZINC ION
Authors:Gaetani, M., Chignola, F., Mollica, L., Quilici, G., Mannella, V., Spiliotopoulos, D., Musco, G.
Deposit date:2012-04-03
Release date:2012-10-17
Last modified:2013-01-16
Method:SOLUTION NMR
Cite:AIRE-PHD fingers are structural hubs to maintain the integrity of chromatin-associated interactome.
Nucleic Acids Res., 40, 2012
2NAA
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NSD1-PHD_5-C5HCH TANDEM DOMAIN STRUCTURE
Descriptor:Histone-lysine N-methyltransferase, H3 lysine-36 and H4 lysine-20 specific, ZINC ION
Authors:Berardi, A., Quilici, G., Spiliotopoulos, D., Musco, G.
Deposit date:2015-12-22
Release date:2016-03-09
Last modified:2016-05-04
Method:SOLUTION NMR
Cite:Structural basis for PHDVC5HCHNSD1-C2HRNizp1 interaction: implications for Sotos syndrome.
Nucleic Acids Res., 44, 2016
2NAB
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NIZP1-C2HR ZINC FINGER STRUCTURE
Descriptor:Zinc finger protein 496, ZINC ION
Authors:Berardi, A., Quilici, G., Spiliotopoulos, D., Corral-Rodriguez, M., Martin, F., Degano, M., Tonon, G., Musco, G.
Deposit date:2015-12-22
Release date:2016-03-09
Last modified:2016-05-04
Method:SOLUTION NMR
Cite:Structural basis for PHDVC5HCHNSD1-C2HRNizp1 interaction: implications for Sotos syndrome.
Nucleic Acids Res., 44, 2016
4TS8
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN CREBBP IN COMPLEX WITH XZ08
Descriptor:CREB-binding protein, 1,2-ETHANEDIOL, 4-(1-acetyl-1H-indol-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Authors:Dong, J., Gartenmann, L., Spiliotopoulos, D., Caflisch, A.
Deposit date:2014-06-18
Release date:2015-07-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the bromodomain of human CREBBP in complex with XZ08
To Be Published
6FG6
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CRYSTAL STRUCTURE OF BAZ2A BROMODOMAIN IN COMPLEX WITH 1-METHYLPYRIDINONE COMPOUND 1
Descriptor:Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
Authors:Dalle Vedove, A., Spiliotopoulos, D., Lolli, G., Caflisch, A.
Deposit date:2018-01-10
Release date:2018-05-30
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FGF
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CRYSTAL STRUCTURE OF BAZ2A BROMODOMAIN IN COMPLEX WITH 1-METHYLPYRIDINONE COMPOUND 2
Descriptor:Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[3-[(4-fluorophenyl)carbonylamino]propyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
Authors:Dalle Vedove, A., Spiliotopoulos, D., Lolli, G., Caflisch, A.
Deposit date:2018-01-10
Release date:2018-05-30
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FGG
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CRYSTAL STRUCTURE OF BAZ2A BROMODOMAIN IN COMPLEX WITH 1-METHYLPYRIDINONE COMPOUND 5
Descriptor:Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[3-[2-(dimethylamino)ethyl]-2-oxidanylidene-1,3-benzoxazol-5-yl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
Authors:Dalle Vedove, A., Spiliotopoulos, D., Lolli, G., Caflisch, A.
Deposit date:2018-01-10
Release date:2018-05-30
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FGT
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CRYSTAL STRUCTURE OF BAZ2B BROMODOMAIN IN COMPLEX WITH 1-METHYLPYRIDINONE COMPOUND 3
Descriptor:Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
Authors:Dalle Vedove, A., Spiliotopoulos, D., Lolli, G., Caflisch, A.
Deposit date:2018-01-11
Release date:2018-05-30
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FGU
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CRYSTAL STRUCTURE OF BAZ2B BROMODOMAIN IN COMPLEX WITH 1-METHYLPYRIDINONE COMPOUND 4
Descriptor:Bromodomain adjacent to zinc finger domain protein 2B, 1-methyl-6-oxidanylidene-~{N}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
Authors:Dalle Vedove, A., Spiliotopoulos, D., Lolli, G., Caflisch, A.
Deposit date:2018-01-11
Release date:2018-05-30
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FGV
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CRYSTAL STRUCTURE OF BAZ2A BROMODOMAIN IN COMPLEX WITH 1-METHYLPYRIDINONE COMPOUND 3
Descriptor:Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
Authors:Dalle Vedove, A., Spiliotopoulos, D., Lolli, G., Caflisch, A.
Deposit date:2018-01-11
Release date:2018-05-30
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FGW
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CRYSTAL STRUCTURE OF BAZ2A BROMODOMAIN IN COMPLEX WITH 1-METHYLPYRIDINONE COMPOUND 4
Descriptor:Bromodomain adjacent to zinc finger domain protein 2A, 1-methyl-6-oxidanylidene-~{N}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
Authors:Dalle Vedove, A., Spiliotopoulos, D., Lolli, G., Caflisch, A.
Deposit date:2018-01-11
Release date:2018-05-30
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (2.725 Å)
Cite:Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FH6
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CRYSTAL STRUCTURE OF BAZ2B BROMODOMAIN IN COMPLEX WITH 1-METHYLPYRIDINONE COMPOUND 1
Descriptor:Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
Authors:Dalle Vedove, A., Spiliotopoulos, D., Lolli, G., Caflisch, A.
Deposit date:2018-01-12
Release date:2018-05-30
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (2.082 Å)
Cite:Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FH7
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CRYSTAL STRUCTURE OF BAZ2B BROMODOMAIN IN COMPLEX WITH 1-METHYLPYRIDINONE COMPOUND 2
Descriptor:Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-[3-[(4-fluorophenyl)carbonylamino]propyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
Authors:Dalle Vedove, A., Spiliotopoulos, D., Lolli, G., Caflisch, A.
Deposit date:2018-01-12
Release date:2018-05-30
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6EQ2
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MTH1 IN COMPLEX WITH FRAGMENT 6
Descriptor:7,8-dihydro-8-oxoguanine triphosphatase, 1~{H}-imidazo[4,5-b]pyridin-2-amine
Authors:Wiedmer, L., Sledz, P., Caflisch, A.
Deposit date:2017-10-12
Release date:2018-10-31
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Ligand retargeting by binding site analogy.
Eur.J.Med.Chem., 175, 2019
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