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6SIQ
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BU of 6siq by Molmil
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
6SIO
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BU of 6sio by Molmil
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
6SLV
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BU of 6slv by Molmil
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
6SLW
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BU of 6slw by Molmil
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
6RWU
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BU of 6rwu by Molmil
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
6S40
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BU of 6s40 by Molmil
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
6RJL
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BU of 6rjl by Molmil
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
6RM7
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BU of 6rm7 by Molmil
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
2L84
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BU of 2l84 by Molmil
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
2L85
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BU of 2l85 by Molmil
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
7Q6T
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BU of 7q6t by Molmil
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
7Q6W
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BU of 7q6w by Molmil
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
7Q6U
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BU of 7q6u by Molmil
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
7Q6V
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BU of 7q6v by Molmil
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
5N8E
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BU of 5n8e by Molmil
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
5N89
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BU of 5n89 by Molmil
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
5N8W
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BU of 5n8w by Molmil
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
5N8T
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BU of 5n8t by Molmil
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
5N8J
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BU of 5n8j by Molmil
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
5N7X
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BU of 5n7x by Molmil
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
5N8B
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BU of 5n8b by Molmil
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
5N99
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BU of 5n99 by Molmil
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
1QGX
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BU of 1qgx by Molmil
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
5M6Q
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BU of 5m6q by Molmil
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
6WVX
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BU of 6wvx by Molmil
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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