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4P35
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BU of 4p35 by Molmil
Crystal structure of DJ-1 with Zinc(II) bound (crystal I)
分子名称: CHLORIDE ION, GLYCEROL, Protein DJ-1, ...
著者Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K.
登録日2014-03-05
公開日2014-04-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
4P2G
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BU of 4p2g by Molmil
Crystal structure of DJ-1 in sulfinic acid form (aged crystal)
分子名称: 1,2-ETHANEDIOL, PENTAETHYLENE GLYCOL, Protein DJ-1
著者Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K.
登録日2014-03-04
公開日2014-04-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
4P36
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BU of 4p36 by Molmil
Crystal structure of DJ-1 With Zn(II) bound (crystal 2)
分子名称: 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Protein DJ-1, ZINC ION
著者Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K.
登録日2014-03-05
公開日2014-04-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.182 Å)
主引用文献Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
4P34
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BU of 4p34 by Molmil
Crystal structure of DJ-1 in sulfenic acid form (fresh crystal)
分子名称: PENTAETHYLENE GLYCOL, Protein DJ-1
著者Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K.
登録日2014-03-05
公開日2014-04-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
6AFB
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BU of 6afb by Molmil
DJ-1 C106S incubated with isatin
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, ISATIN, ...
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFL
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BU of 6afl by Molmil
DJ-1 with compound 15
分子名称: 5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFC
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BU of 6afc by Molmil
DJ-1 with compound 4
分子名称: 5-fluoranyl-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AF7
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BU of 6af7 by Molmil
DJ-1 C106S unbound
分子名称: CHLORIDE ION, PENTAETHYLENE GLYCOL, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFI
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BU of 6afi by Molmil
DJ-1 with compound 11
分子名称: 1-ethylindole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AF5
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BU of 6af5 by Molmil
DJ-1 after backsoaking
分子名称: CHLORIDE ION, ISATIN, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFG
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BU of 6afg by Molmil
DJ-1 with compound 9
分子名称: 1-methylindole-2,3-dione, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFH
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BU of 6afh by Molmil
DJ-1 with compound 10
分子名称: 1-(2-phenylethyl)indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFA
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BU of 6afa by Molmil
DJ-1 with isatin (low concentration)
分子名称: CHLORIDE ION, ISATIN, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFE
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BU of 6afe by Molmil
DJ-1 with compound 7
分子名称: 7-(trifluoromethyl)-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AF9
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BU of 6af9 by Molmil
DJ-1 with isatin bound (high concentration)
分子名称: CHLORIDE ION, ISATIN, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFF
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BU of 6aff by Molmil
DJ-1 with compound 8
分子名称: CHLORIDE ION, Protein/nucleic acid deglycase DJ-1, methyl 2,3-bis(oxidanylidene)-1~{H}-indole-7-carboxylate
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFJ
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BU of 6afj by Molmil
DJ-1 with compound 13
分子名称: CHLORIDE ION, Protein/nucleic acid deglycase DJ-1, butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFD
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BU of 6afd by Molmil
DJ-1 with compound 6
分子名称: 7-methyl-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
5CI9
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BU of 5ci9 by Molmil
Crystal structure of human Tob in complex with inhibitor fragment 6
分子名称: 1-(propan-2-yl)-1H-benzimidazole-5-carboxylic acid, Protein Tob1, SODIUM ION
著者Bai, Y, Tashiro, S, Nagatoishi, S, Suzuki, T, Tsumoto, K, Bartlam, M, Yamamoto, T.
登録日2015-07-11
公開日2015-11-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for inhibition of the Tob-CNOT7 interaction by a fragment screening approach
Protein Cell, 6, 2015
5CI8
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BU of 5ci8 by Molmil
Crystal structure of human Tob in complex with inhibitor fragment 1
分子名称: Protein Tob1, pyrrolo[1,2-a]quinoxalin-4(5H)-one
著者Bai, Y, Tashiro, S, Nagatoishi, S, Suzuki, T, Tsumoto, K, Bartlam, M, Yamamoto, T.
登録日2015-07-11
公開日2015-11-18
最終更新日2015-12-09
実験手法X-RAY DIFFRACTION (2.328 Å)
主引用文献Structural basis for inhibition of the Tob-CNOT7 interaction by a fragment screening approach
Protein Cell, 6, 2015
4W4O
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BU of 4w4o by Molmil
High-resolution crystal structure of Fc bound to its human receptor Fc-gamma-RI
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ...
著者Caaveiro, J.M.M, Kiyoshi, M, Tsumoto, K.
登録日2014-08-15
公開日2015-04-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for binding of human IgG1 to its high-affinity human receptor Fc gamma RI
Nat Commun, 6, 2015
4W4N
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BU of 4w4n by Molmil
Crystal structure of human Fc at 1.80 A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Caaveiro, J.M.M, Kiyoshi, M, Tsumoto, K.
登録日2014-08-15
公開日2015-04-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for binding of human IgG1 to its high-affinity human receptor Fc gamma RI
Nat Commun, 6, 2015
3WWQ
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BU of 3wwq by Molmil
Crystal structure of FAAP20 UBZ domain in complex with Lys63-linked diubiquitin
分子名称: Fanconi anemia-associated protein of 20 kDa, Ubiquitin, ZINC ION
著者Sato, Y, Fukai, S.
登録日2014-06-23
公開日2015-05-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis for Ubiquitin Recognition by Ubiquitin-Binding Zinc Finger of FAAP20
Plos One, 10, 2015
3VSY
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BU of 3vsy by Molmil
High-resolution crystal structure of wild-type KSI in the apo form at neutral pH
分子名称: SULFATE ION, Steroid Delta-isomerase
著者Caaveiro, J.M.M, Kobe, A, Tsumoto, K.
登録日2012-05-16
公開日2013-02-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Incorporation of rapid thermodynamic data in fragment-based drug discovery.
J.Med.Chem., 56, 2013
5Y0C
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BU of 5y0c by Molmil
Crystal Structure of the human nucleosome at 2.09 angstrom resolution
分子名称: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
著者Kurumizaka, H, Arimura, Y, Fujita, R, Noda, M.
登録日2017-07-16
公開日2018-07-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.087 Å)
主引用文献Cancer-associated mutations of histones H2B, H3.1 and H2A.Z.1 affect the structure and stability of the nucleosome.
Nucleic Acids Res., 46, 2018

 

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