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6SLV
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BU of 6slv by Molmil
Fragment AZ-013 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
著者Ottmann, C, Wolter, M, Guillory, X, Leysen, S, Genet, S, Somsen, B, Patel, J, Castaldi, P.
登録日2019-08-20
公開日2020-06-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: 14-3-3 protein sigma, 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Somsen, B, Wolter, M, Guillory, X, Genet, S, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-05-05
公開日2020-06-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称: 14-3-3 protein sigma, 5-methyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Leysen, S, Wolter, M, Guillory, X, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-08-10
公開日2020-06-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.60418 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RX2
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BU of 6rx2 by Molmil
Fragment AZ-005 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide, CALCIUM ION, ...
著者Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-06-07
公開日2020-06-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RJQ
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BU of 6rjq by Molmil
Fragment AZ-006 binding at the TAZpS89/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide, TAZpS89
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C, Patel, J.
登録日2019-04-29
公開日2020-06-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.885 Å)
主引用文献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
分子名称: 14-3-3 protein sigma, 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide, TAZpS89
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-04-27
公開日2020-06-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RP6
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BU of 6rp6 by Molmil
Fragment AZ-019 binding at the TAZpS89/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide, CALCIUM ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-05-14
公開日2020-06-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.885 Å)
主引用文献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
分子名称: 14-3-3 protein sigma, 4-methyl-5-phenyl-thiophene-2-carboximidamide, WW domain-containing transcription regulator protein 1
著者Ottmann, C, Wolter, M, Guillory, X, Leysen, S, Genet, S, Somsen, B, Patel, J, Castaldi, P.
登録日2019-08-20
公開日2020-06-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
2L85
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BU of 2l85 by Molmil
Solution NMR structures of CBP bromodomain with small molecule of HBS
分子名称: 4-[(E)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid, CREB-binding protein
著者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.
登録日2011-01-04
公開日2011-01-19
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A Small Molecule Binding to the Coactivator CREB-Binding Protein Blocks Apoptosis in Cardiomyocytes.
Chem.Biol., 18, 2011
2L84
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BU of 2l84 by Molmil
Solution NMR structures of CBP bromodomain with small molecule j28
分子名称: 5-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid, CREB-binding protein
著者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.
登録日2011-01-03
公開日2011-01-19
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A Small Molecule Binding to the Coactivator CREB-Binding Protein Blocks Apoptosis in Cardiomyocytes.
Chem.Biol., 18, 2011
7Q6U
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BU of 7q6u by Molmil
Crystal structure of the bromodomain of ATAD2 with phenol HTS hit (cpd 6)
分子名称: (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
著者Patel, S.J, Winter-Holt, J.J.
登録日2021-11-09
公開日2022-01-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
7Q6T
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BU of 7q6t by Molmil
Crystal structure of the bromodomain of ATAD2 with AZ13824374
分子名称: (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
著者Patel, S.J, Winter-Holt, J.J.
登録日2021-11-09
公開日2022-01-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献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)
分子名称: (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
著者Patel, S.J, Winter-Holt, J.J.
登録日2021-11-09
公開日2022-01-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献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)
分子名称: (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
著者Patel, S.J, Winter-Holt, J.J.
登録日2021-11-09
公開日2022-01-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
5N99
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BU of 5n99 by Molmil
CRYSTAL STRUCTURE OF STREPTAVIDIN with cyclic peptide NQpWQ
分子名称: ASN-GLN-DPR-TRP-GLN, Streptavidin
著者Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J.
登録日2017-02-24
公開日2017-10-04
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
分子名称: D-ALANINE, D-GLUTAMIC ACID, D-GLUTAMINE, ...
著者Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J.
登録日2017-02-24
公開日2017-10-04
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献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
分子名称: GLY-DTY-GLY-DLE-DAL-DSG-DVA-DAS-DGL-DSN-DSN-GLY, ISOPROPYL ALCOHOL, Streptavidin
著者Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J.
登録日2017-02-23
公開日2017-10-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献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
分子名称: GLU-TRP-VAL-HIS-PRO-GLN-PHE-GLU-GLN-LYS-ALA-LYS Peptide, Streptavidin
著者Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J.
登録日2017-02-21
公開日2017-10-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献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
分子名称: ALA-PHE-PRO-ASP-TYR-LEU-ALA-GLU-TYR-HIS-GLY-GLY-NH2, Streptavidin
著者Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J.
登録日2017-02-23
公開日2017-10-04
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Stepwise Evolution Improves Identification of Diverse Peptides Binding to a Protein Target.
Sci Rep, 7, 2017
5N8E
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BU of 5n8e by Molmil
CRYSTAL STRUCTURE OF STREPTAVIDIN WITH PEPTIDE RDPAPAWAHGGG
分子名称: ARG-ASP-PRO-ALA-PRO-ALA-TRP-ALA-HIS-GLY-GLY-GLY-NH2, SODIUM ION, Streptavidin
著者Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J.
登録日2017-02-23
公開日2017-10-11
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Stepwise Evolution Improves Identification of Diverse Peptides Binding to a Protein Target.
Sci Rep, 7, 2017
5N89
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CRYSTAL STRUCTURE OF STREPTAVIDIN WITH PEPTIDE GNSFDDWLASKG
分子名称: GLY-ASN-SER-PHE-ASP-ASP-TRP-LEU-ALA-SER-LYS-GLY-NH2, GLYCEROL, Streptavidin
著者Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J.
登録日2017-02-23
公開日2017-10-04
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献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
分子名称: GLY-GLY-DTR-DHI-DAS-DGL-DAL-DTH-DTR-DLY, Streptavidin
著者Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J.
登録日2017-02-24
公開日2017-10-04
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献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
分子名称: 3',5'-ADENOSINE BISPHOSPHATASE, ADENOSINE MONOPHOSPHATE, BETA-MERCAPTOETHANOL, ...
著者Albert, A, Yenush, L, Gil-Mascarell, M.R, Rodriguez, P.L, Patel, J, Martinez-Ripoll, M, Blundell, T.L, Serrano, R.
登録日1999-05-10
公開日2000-01-04
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, TETRAETHYLENE GLYCOL, ...
著者Steffen, W, Benz, J, Rudolph, M.G.
登録日2016-10-25
公開日2017-07-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of a microbial transglutaminase enabling highly site-specific labeling of proteins.
J. Biol. Chem., 292, 2017
7BBG
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BU of 7bbg by Molmil
CRYSTAL STRUCTURE OF HLA-A2-WT1-RMF AND FAB 11D06
分子名称: Beta-2-microglobulin, Heavy chain of Fab fragment 11D06, Light chain of Fab fragment 11D06, ...
著者Bujotzek, A, Georges, G, Hanisch, L.J, Klein, C, Benz, J.
登録日2020-12-17
公開日2021-10-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Targeting intracellular WT1 in AML with a novel RMF-peptide-MHC-specific T-cell bispecific antibody.
Blood, 138, 2021

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