6FGI
 
 | | Crystal Structure of BAZ2A bromodomain in complex with 3-amino-2-methylpyridine derivative 2 | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(3~{S})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine | | Authors: | Dalle Vedove, A, Marchand, J.-R, Lolli, G, Caflisch, A. | | Deposit date: | 2018-01-10 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.551 Å) | | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
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6FGU
 | | Crystal Structure of BAZ2B bromodomain in complex with 1-methylpyridinone compound 4 | | Descriptor: | 1-methyl-6-oxidanylidene-~{N}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide, Bromodomain adjacent to zinc finger domain protein 2B | | Authors: | Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A. | | Deposit date: | 2018-01-11 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
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6FG6
 | | 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: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
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6FGH
 | | Crystal Structure of BAZ2A bromodomain in complex with 3-amino-2-methylpyridine derivative 1 | | Descriptor: | 2-methyl-~{N}-[(2~{R})-1-methylsulfonylpropan-2-yl]pyridin-3-amine, Bromodomain adjacent to zinc finger domain protein 2A | | Authors: | Dalle Vedove, A, Marchand, J.-R, Lolli, G, Caflisch, A. | | Deposit date: | 2018-01-10 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
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6FGG
 | | 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: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
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6FGW
 | | Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 4 | | Descriptor: | 1-methyl-6-oxidanylidene-~{N}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A | | Authors: | Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A. | | Deposit date: | 2018-01-11 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.725 Å) | | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
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6FQO
 | | Crystal structure of CREBBP bromodomain complexd with DT29 | | Descriptor: | 1,2-ETHANEDIOL, CREB-binding protein, ~{N}-[3-(2,5-dimethyl-3-oxidanylidene-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2018-02-14 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
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6FQU
 | | Crystal structure of CREBBP bromodomain complexd with DR09 | | Descriptor: | 1-[3-[3-[3,3-bis(fluoranyl)piperidin-1-yl]phenyl]-4-ethoxy-phenyl]ethanone, CREB-binding protein | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2018-02-14 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
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6FR0
 | | Crystal structure of CREBBP bromodomain complexd with PB08 | | Descriptor: | CREB-binding protein, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(2-ethyl-5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2018-02-15 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
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6FRF
 | | Crystal structure of CREBBP bromodomain complexd with PA10 | | Descriptor: | CREB-binding protein, ~{N}-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2018-02-15 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
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5EIC
 | | Crystal structure of the bromodomain of human CREBBP in complex with AYC | | Descriptor: | 1,2-ETHANEDIOL, 2-[(chloroacetyl)amino]-5-[(E)-(4-sulfophenyl)diazenyl]benzenesulfonic acid, CREB-binding protein | | Authors: | Dong, J, Caflisch, A. | | Deposit date: | 2015-10-29 | | Release date: | 2016-11-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
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5ENG
 | | Crystal structure of the bromodomain of human CREBBP in complex with UP39 | | Descriptor: | CREB-binding protein, methyl 2-[2-(3,5-dihydro-2~{H}-pyrazin-4-yl)ethoxy]-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]benzoate | | Authors: | Dong, J, Caflisch, A. | | Deposit date: | 2015-11-09 | | Release date: | 2016-11-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
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5EP7
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5MPK
 | | Crystal structure of CREBBP bromodomain complexed with DK19 | | Descriptor: | CREB-binding protein, ~{N}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{H}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2016-12-16 | | Release date: | 2018-01-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
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5MMG
 | | Crystal structure of CREBBP bromodomain complexed with UT07C | | Descriptor: | 1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone, CREB-binding protein | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2016-12-09 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
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5MPN
 | | Crystal structure of CREBBP bromodomain complexed with FA26 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-ethoxy-3-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone, CREB-binding protein | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2016-12-16 | | Release date: | 2018-01-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
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5MME
 | | Crystal structure of CREBBP bromodomain complexd with US46C | | Descriptor: | CREB-binding protein, dimethyl 5-[(5-ethanoyl-2-ethoxy-phenyl)amino]benzene-1,3-dicarboxylate | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2016-12-09 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
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5OWW
 | | Crystal structure of human BRD4(1) bromodomain in complex with UT22B | | Descriptor: | Bromodomain-containing protein 4, ~{N}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2017-09-04 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
Acs Cent.Sci., 4, 2018
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5NLK
 | | Crystal structure of CREBBP bromodomain complexd with US13A | | Descriptor: | CREB-binding protein, ~{N}-[3-acetamido-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2017-04-04 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
ACS Cent Sci, 4, 2018
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5OVB
 | | Crystal structure of human BRD4(1) bromodomain in complex with DR46 | | Descriptor: | Bromodomain-containing protein 4, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2017-08-28 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
Acs Cent.Sci., 4, 2018
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5OWK
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5JQQ
 | | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis - apo form | | Descriptor: | GLYCEROL, Glucosyl-3-phosphoglycerate synthase | | Authors: | Albesa-Jove, D, Urresti, S, Gest, P.M, van der Woerd, M, Jackson, M, Guerin, M.E. | | Deposit date: | 2016-05-05 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis - apo form
To Be Published
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4NC9
 | | Crystal structure of phosphatidyl mannosyltransferase PimA | | Descriptor: | GDP-mannose-dependent alpha-(1-2)-phosphatidylinositol mannosyltransferase | | Authors: | Giganti, D, Albesa-Jove, D, Bellinzoni, M, Guerin, M.E, Alzari, P.M. | | Deposit date: | 2013-10-24 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.192 Å) | | Cite: | Secondary structure reshuffling modulates glycosyltransferase function at the membrane.
Nat.Chem.Biol., 11, 2015
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4NXI
 | | Rv2466c Mediates the Activation of TP053 To Kill Replicating and Non-replicating Mycobacterium tuberculosis | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Uncharacterized protein | | Authors: | Albesa-Jove, D, Urresti, S, Comino, N, Guerin, M.E. | | Deposit date: | 2013-12-09 | | Release date: | 2014-10-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Rv2466c mediates the activation of TP053 to kill replicating and non-replicating Mycobacterium tuberculosis.
Acs Chem.Biol., 9, 2014
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4N9W
 | | Crystal structure of phosphatidyl mannosyltransferase PimA | | Descriptor: | 1,2-ETHANEDIOL, GDP-mannose-dependent alpha-(1-2)-phosphatidylinositol mannosyltransferase, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Giganti, D, Albesa-Jove, D, Bellinzoni, M, Guerin, M.E, Alzari, P.M. | | Deposit date: | 2013-10-21 | | Release date: | 2014-11-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Secondary structure reshuffling modulates glycosyltransferase function at the membrane.
Nat.Chem.Biol., 11, 2015
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