6SIQ
| Fragment AZ-012 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ... | Authors: | Leysen, S, Wolter, M, Guillory, X, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-08-10 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.60121 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6SIO
| Fragment AZ-017 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 5-methyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | Authors: | Leysen, S, Wolter, M, Guillory, X, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-08-10 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.60418 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6SLV
| Fragment AZ-013 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ... | Authors: | Ottmann, C, Wolter, M, Guillory, X, Leysen, S, Genet, S, Somsen, B, Patel, J, Castaldi, P. | Deposit date: | 2019-08-20 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6SLW
| Fragment AZ-004 binding at the TAZpS89/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 4-methyl-5-phenyl-thiophene-2-carboximidamide, WW domain-containing transcription regulator protein 1 | Authors: | Ottmann, C, Wolter, M, Guillory, X, Leysen, S, Genet, S, Somsen, B, Patel, J, Castaldi, P. | Deposit date: | 2019-08-20 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6RWU
| Fragment AZ-010 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, Cellular tumor antigen p53, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide | Authors: | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-06-06 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6S40
| Fragment AZ-001 binding at the p53pT387/14-3-3 sigma interface and additional sites | Descriptor: | 14-3-3 protein sigma, 4-chloranyl-1-benzothiophene-2-carboximidamide, CALCIUM ION, ... | Authors: | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-06-26 | Release date: | 2020-06-17 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6RJL
| Fragment AZ-018 binding at the TAZpS89/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide, TAZpS89 | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-04-27 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6RM7
| Fragment AZ-026 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | Authors: | Somsen, B, Wolter, M, Guillory, X, Genet, S, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-05-05 | Release date: | 2020-06-17 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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2L84
| Solution NMR structures of CBP bromodomain with small molecule j28 | Descriptor: | 5-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid, CREB-binding protein | Authors: | Borah, J.C, Mujtaba, S, Karakikes, I, Zeng, L, Muller, M, Patel, J, Moshkina, N, Morohashi, K, Zhang, W, Gerona-Navarro, G, Hajjar, R.J, Zhou, M. | Deposit date: | 2011-01-03 | Release date: | 2011-01-19 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A Small Molecule Binding to the Coactivator CREB-Binding Protein Blocks Apoptosis in Cardiomyocytes. Chem.Biol., 18, 2011
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2L85
| Solution NMR structures of CBP bromodomain with small molecule of HBS | Descriptor: | 4-[(E)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid, CREB-binding protein | Authors: | Borah, J.C, Mujtaba, S, Karakikes, I, Zeng, L, Muller, M, Patel, J, Moshkina, N, Morohashi, K, Zhang, W, Gerona-Navarro, G, Hajjar, R.J, Zhou, M. | Deposit date: | 2011-01-04 | Release date: | 2011-01-19 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A Small Molecule Binding to the Coactivator CREB-Binding Protein Blocks Apoptosis in Cardiomyocytes. Chem.Biol., 18, 2011
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7Q6T
| Crystal structure of the bromodomain of ATAD2 with AZ13824374 | Descriptor: | (1R,9S,12R)-13-[[8-[[1-(2-fluoranyl-2-methyl-propyl)piperidin-4-yl]amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-12-propan-2-yl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | Authors: | Patel, S.J, Winter-Holt, J.J. | Deposit date: | 2021-11-09 | Release date: | 2022-01-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models. J.Med.Chem., 65, 2022
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7Q6W
| Crystal structure of the bromodomain of ATAD2 with triazolopyridazine (cpd 22) | Descriptor: | (1R,9S)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | Authors: | Patel, S.J, Winter-Holt, J.J. | Deposit date: | 2021-11-09 | Release date: | 2022-01-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models. J.Med.Chem., 65, 2022
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7Q6U
| Crystal structure of the bromodomain of ATAD2 with phenol HTS hit (cpd 6) | Descriptor: | (1R,9S)-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | Authors: | Patel, S.J, Winter-Holt, J.J. | Deposit date: | 2021-11-09 | Release date: | 2022-01-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models. J.Med.Chem., 65, 2022
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7Q6V
| Crystal structure of the bromodomain of ATAD2 with triazolopyridine (cpd 14) | Descriptor: | (1R,9S)-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | Authors: | Patel, S.J, Winter-Holt, J.J. | Deposit date: | 2021-11-09 | Release date: | 2022-01-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models. J.Med.Chem., 65, 2022
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5N8E
| CRYSTAL STRUCTURE OF STREPTAVIDIN WITH PEPTIDE RDPAPAWAHGGG | Descriptor: | ARG-ASP-PRO-ALA-PRO-ALA-TRP-ALA-HIS-GLY-GLY-GLY-NH2, SODIUM ION, Streptavidin | Authors: | Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J. | Deposit date: | 2017-02-23 | Release date: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Stepwise Evolution Improves Identification of Diverse Peptides Binding to a Protein Target. Sci Rep, 7, 2017
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5N89
| CRYSTAL STRUCTURE OF STREPTAVIDIN WITH PEPTIDE GNSFDDWLASKG | Descriptor: | GLY-ASN-SER-PHE-ASP-ASP-TRP-LEU-ALA-SER-LYS-GLY-NH2, GLYCEROL, Streptavidin | Authors: | Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J. | Deposit date: | 2017-02-23 | Release date: | 2017-10-04 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Stepwise Evolution Improves Identification of Diverse Peptides Binding to a Protein Target. Sci Rep, 7, 2017
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5N8W
| CRYSTAL STRUCTURE OF STREPTAVIDIN with D-amino acid containing peptide GGwhdeatwkpG | Descriptor: | GLY-GLY-DTR-DHI-DAS-DGL-DAL-DTH-DTR-DLY, Streptavidin | Authors: | Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J. | Deposit date: | 2017-02-24 | Release date: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Stepwise Evolution Improves Identification of Diverse Peptides Binding to a Protein Target. Sci Rep, 7, 2017
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5N8T
| CRYSTAL STRUCTURE OF STREPTAVIDIN D-amino acid containing peptide Gdlwqheatwkkq | Descriptor: | DLE-DTR-DGN-DHI-DGL-DAL-DTH-DTR-DLY, Streptavidin | Authors: | Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J. | Deposit date: | 2017-02-24 | Release date: | 2017-10-04 | Last modified: | 2022-12-07 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Stepwise Evolution Improves Identification of Diverse Peptides Binding to a Protein Target. Sci Rep, 7, 2017
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5N8J
| CRYSTAL STRUCTURE OF STREPTAVIDIN WITH PEPTIDE D-amino acid containing peptide GyGlanvdessG | Descriptor: | GLY-DTY-GLY-DLE-DAL-DSG-DVA-DAS-DGL-DSN-DSN-GLY, ISOPROPYL ALCOHOL, Streptavidin | Authors: | Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J. | Deposit date: | 2017-02-23 | Release date: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Stepwise Evolution Improves Identification of Diverse Peptides Binding to a Protein Target. Sci Rep, 7, 2017
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5N7X
| CRYSTAL STRUCTURE OF STREPTAVIDIN WITH PEPTIDE EWVHPQFEQKAK | Descriptor: | GLU-TRP-VAL-HIS-PRO-GLN-PHE-GLU-GLN-LYS-ALA-LYS Peptide, Streptavidin | Authors: | Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J. | Deposit date: | 2017-02-21 | Release date: | 2017-10-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Stepwise Evolution Improves Identification of Diverse Peptides Binding to a Protein Target. Sci Rep, 7, 2017
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5N8B
| CRYSTAL STRUCTURE OF STREPTAVIDIN WITH PEPTIDE AFPDYLAEYHGG | Descriptor: | ALA-PHE-PRO-ASP-TYR-LEU-ALA-GLU-TYR-HIS-GLY-GLY-NH2, Streptavidin | Authors: | Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J. | Deposit date: | 2017-02-23 | Release date: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Stepwise Evolution Improves Identification of Diverse Peptides Binding to a Protein Target. Sci Rep, 7, 2017
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5N99
| CRYSTAL STRUCTURE OF STREPTAVIDIN with cyclic peptide NQpWQ | Descriptor: | ASN-GLN-DPR-TRP-GLN, Streptavidin | Authors: | Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J. | Deposit date: | 2017-02-24 | Release date: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Stepwise Evolution Improves Identification of Diverse Peptides Binding to a Protein Target. Sci Rep, 7, 2017
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1QGX
| X-RAY STRUCTURE OF YEAST HAL2P | Descriptor: | 3',5'-ADENOSINE BISPHOSPHATASE, ADENOSINE MONOPHOSPHATE, BETA-MERCAPTOETHANOL, ... | Authors: | Albert, A, Yenush, L, Gil-Mascarell, M.R, Rodriguez, P.L, Patel, J, Martinez-Ripoll, M, Blundell, T.L, Serrano, R. | Deposit date: | 1999-05-10 | Release date: | 2000-01-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray structure of yeast Hal2p, a major target of lithium and sodium toxicity, and identification of framework interactions determining cation sensitivity. J.Mol.Biol., 295, 2000
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5M6Q
| Crystal Structure of Kutzneria albida transglutaminase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, TETRAETHYLENE GLYCOL, ... | Authors: | Steffen, W, Benz, J, Rudolph, M.G. | Deposit date: | 2016-10-25 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of a microbial transglutaminase enabling highly site-specific labeling of proteins. J. Biol. Chem., 292, 2017
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6WVX
| Crystal structure of the first bromodomain of human BRD4 with benzodiazepine inhibitor | Descriptor: | 6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1H-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine], Bromodomain-containing protein 4 | Authors: | Eron, S.J. | Deposit date: | 2020-05-07 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural Characterization of Degrader-Induced Ternary Complexes Using Hydrogen-Deuterium Exchange Mass Spectrometry and Computational Modeling: Implications for Structure-Based Design. Acs Chem.Biol., 16, 2021
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