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PDB: 137 件
5O1G
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p53 cancer mutant Y220C in complex with compound MB487
分子名称: 3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ...
著者Joerger, A.C, Baud, M.G.J, Bauer, M.R, Fersht, A.R.
登録日2017-05-18
公開日2018-05-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
5O1E
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p53 cancer mutant Y220C im complex with compound MB577
分子名称: 3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ...
著者Joerger, A.C, Baud, M.G.J, Bauer, M.R, Fersht, A.R.
登録日2017-05-18
公開日2018-05-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
5O1B
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p53 cancer mutant Y220C in complex with compound MB84
分子名称: 6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol, Cellular tumor antigen p53, GLYCEROL, ...
著者Joerger, A.C, Bauer, M.R, Baud, M.G.J, Fersht, A.R.
登録日2017-05-18
公開日2018-05-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
2WQJ
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BU of 2wqj by Molmil
Crystal structure of a truncated variant of the human p73 tetramerization domain
分子名称: TUMOR PROTEIN P73
著者Joerger, A.C.
登録日2009-08-21
公開日2009-10-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Evolution of P53, P63, and P73: Implication for Heterotetramer Formation.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WQI
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BU of 2wqi by Molmil
Crystal structure of the human p73 tetramerization domain
分子名称: TUMOR PROTEIN P73
著者Joerger, A.C.
登録日2009-08-21
公開日2009-10-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Evolution of P53, P63, and P73: Implication for Heterotetramer Formation.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WTT
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BU of 2wtt by Molmil
Structure of the human p73 tetramerization domain (crystal form II)
分子名称: TUMOR PROTEIN P73
著者Joerger, A.C.
登録日2009-09-21
公開日2009-10-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Evolution of P53, P63, and P73: Implication for Heterotetramer Formation.
Proc.Natl.Acad.Sci.USA, 106, 2009
4AGN
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BU of 4agn by Molmil
Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5116
分子名称: 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-(3-HYDROXYPROP-1-YN-1-YL)-6-IODOPHENOL, CELLULAR TUMOR ANTIGEN P53, ZINC ION
著者Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R.
登録日2012-01-30
公開日2012-03-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53.
J.Am.Chem.Soc., 134, 2012
4AGM
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Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5086
分子名称: 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4,6-DIIODOPHENOL, CELLULAR TUMOR ANTIGEN P53, ZINC ION
著者Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R.
登録日2012-01-30
公開日2012-03-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53.
J.Am.Chem.Soc., 134, 2012
4AGP
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Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5176
分子名称: 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-(3-phenoxyprop-1-yn-1-yl)phenol, CELLULAR TUMOR ANTIGEN P53, ZINC ION
著者Joerger, A.C, Wilcken, R, Fersht, A.R, Boeckler, F.M.
登録日2012-01-30
公開日2012-03-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53.
J.Am.Chem.Soc., 134, 2012
4AGL
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Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan784
分子名称: 2,4-BIS(IODANYL)-6-[[METHYL-(1-METHYLPIPERIDIN-4-YL)AMINO]METHYL]PHENOL, CELLULAR TUMOR ANTIGEN P53, ZINC ION
著者Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R.
登録日2012-01-30
公開日2012-03-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53.
J.Am.Chem.Soc., 134, 2012
4AGQ
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Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5196
分子名称: 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-[3-(phenylamino)prop-1-yn-1-yl]phenol, CELLULAR TUMOR ANTIGEN P53, ZINC ION
著者Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R.
登録日2012-01-30
公開日2012-03-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53.
J.Am.Chem.Soc., 134, 2012
4AGO
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BU of 4ago by Molmil
Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5174
分子名称: CELLULAR TUMOR ANTIGEN P53, TERT-BUTYL [3-(3-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-HYDROXY-5-IODOPHENYL)PROP-2-YN-1-YL]CARBAMATE, ZINC ION
著者Joerger, A.C, Wilcken, R, Fersht, A.R, Boeckler, F.M.
登録日2012-01-30
公開日2012-03-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53.
J.Am.Chem.Soc., 134, 2012
3ZME
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BU of 3zme by Molmil
Structure of the p53 core domain mutant Y220C bound to the small molecule PhiKan7242
分子名称: 2-(4-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-1-yl)-N,N-dimethylethanamine, Cellular tumor antigen p53, ZINC ION
著者Joerger, A.C, Wilcken, R.
登録日2013-02-07
公開日2013-05-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Small molecule induced reactivation of mutant p53 in cancer cells.
Nucleic Acids Res., 41, 2013
1E46
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BU of 1e46 by Molmil
L-Fuculose 1-Phosphate Aldolase from Escherichia coli Mutant E73S
分子名称: BETA-MERCAPTOETHANOL, L-FUCULOSE 1-PHOSPHATE ALDOLASE, SULFATE ION, ...
著者Joerger, A.C, Schulz, G.E.
登録日2000-06-30
公開日2000-11-06
最終更新日2019-01-30
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structures of L-Fuculose-1-Phosphate Aldolase Mutants Outlining Motions During Catalysis
J.Mol.Biol., 303, 2000
1E4B
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BU of 1e4b by Molmil
L-Fuculose 1-Phosphate Aldolase from Escherichia coli Mutant N29Q
分子名称: BETA-MERCAPTOETHANOL, L-FUCULOSE 1-PHOSPHATE ALDOLASE, SULFATE ION, ...
著者Joerger, A.C, Schulz, G.E.
登録日2000-06-30
公開日2000-11-06
最終更新日2019-01-30
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structures of L-Fuculose-1-Phosphate Aldolase Mutants Outlining Motions During Catalysis
J.Mol.Biol., 303, 2000
1E48
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BU of 1e48 by Molmil
L-Fuculose 1-Phosphate Aldolase from Escherichia coli Mutant E73Q/Y113F/Y209F
分子名称: 1,3-DIHYDROXYACETONEPHOSPHATE, BETA-MERCAPTOETHANOL, L-FUCULOSE 1-PHOSPHATE ALDOLASE, ...
著者Joerger, A.C, Schulz, G.E.
登録日2000-06-30
公開日2000-11-06
最終更新日2019-01-30
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structures of L-Fuculose-1-Phosphate Aldolase Mutants Outlining Motions During Catalysis
J.Mol.Biol., 303, 2000
1E4A
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BU of 1e4a by Molmil
L-Fuculose 1-Phosphate Aldolase from Escherichia coli Mutant Del(27)
分子名称: BETA-MERCAPTOETHANOL, L-FUCULOSE 1-PHOSPHATE ALDOLASE, SULFATE ION, ...
著者Joerger, A.C, Schulz, G.E.
登録日2000-06-30
公開日2000-11-06
最終更新日2019-01-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structures of L-Fuculose-1-Phosphate Aldolase Mutants Outlining Motions During Catalysis
J.Mol.Biol., 303, 2000
1E47
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BU of 1e47 by Molmil
L-Fuculose 1-Phosphate Aldolase from Escherichia coli Mutant E73Q
分子名称: 1,3-DIHYDROXYACETONEPHOSPHATE, BETA-MERCAPTOETHANOL, L-FUCULOSE 1-PHOSPHATE ALDOLASE, ...
著者Joerger, A.C, Schulz, G.E.
登録日2000-06-30
公開日2000-11-06
最終更新日2019-01-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structures of l-fuculose-1-phosphate aldolase mutants outlining motions during catalysis.
J. Mol. Biol., 303, 2000
1E4C
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BU of 1e4c by Molmil
L-Fuculose 1-Phosphate Aldolase from Escherichia coli Mutant S71Q
分子名称: BETA-MERCAPTOETHANOL, L-FUCULOSE 1-PHOSPHATE ALDOLASE, SULFATE ION, ...
著者Joerger, A.C, Schulz, G.E.
登録日2000-06-30
公開日2000-11-06
最終更新日2019-01-30
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structures of L-Fuculose-1-Phosphate Aldolase Mutants Outlining Motions During Catalysis
J.Mol.Biol., 303, 2000
1E49
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BU of 1e49 by Molmil
L-Fuculose 1-Phosphate Aldolase from Escherichia coli Mutant N29L/S71A
分子名称: BETA-MERCAPTOETHANOL, L-FUCULOSE 1-PHOSPHATE ALDOLASE, SULFATE ION, ...
著者Joerger, A.C, Schulz, G.E.
登録日2000-06-30
公開日2000-11-06
最終更新日2019-01-30
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structures of L-Fuculose-1-Phosphate Aldolase Mutants Outlining Motions During Catalysis
J.Mol.Biol., 303, 2000
6YQN
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BU of 6yqn by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW9
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide
著者Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-04-17
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
6YQP
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Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW22
分子名称: (~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6 ),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-04-17
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
6YQO
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Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW12
分子名称: (S)-N1-(4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)phenyl)-N8-hydroxyoctanediamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-04-17
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
6YJC
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BU of 6yjc by Molmil
Crystal structure of p38alpha in complex with SR154
分子名称: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
著者Joerger, A.C, Schroeder, M, Roehm, S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-04-02
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.74100935 Å)
主引用文献Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
4D1L
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BU of 4d1l by Molmil
Tetramerization domain of zebrafish p53 (crystal form I)
分子名称: CELLULAR TUMOR ANTIGEN P53, ZINC ION
著者Joerger, A.C.
登録日2014-05-02
公開日2014-08-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Tracing the Evolution of the P53 Tetramerization Domain
Structure, 22, 2014

223532

件を2024-08-07に公開中

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