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PDB: 104 件

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
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
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
3CPO
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BU of 3cpo by Molmil
Crystal structure of ketosteroid isomerase D40N with bound 2-fluorophenol
分子名称: 2-fluorophenol, Delta(5)-3-ketosteroid isomerase
著者Caaveiro, J.M.M, Pybus, B, Ringe, D, Petsko, G.
登録日2008-03-31
公開日2008-09-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole
J.Am.Chem.Soc., 130, 2008
5YD4
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BU of 5yd4 by Molmil
Crystal structure of the scFv antibody 4B08 with epitope peptide (mutation T6A)
分子名称: Epitope peptide (mutation T6A), SULFATE ION, scFv 4B08
著者Caaveiro, J.M.M, Miyanabe, K, Tsumoto, K.
登録日2017-09-11
公開日2018-06-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Intramolecular H-bonds govern the recognition of a flexible peptide by an antibody
J. Biochem., 164, 2018
5YQ5
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BU of 5yq5 by Molmil
Crystal structure of human osteomodulin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Osteomodulin, PHOSPHATE ION
著者Caaveiro, J.M.M, Tashima, T, Tsumoto, K.
登録日2017-11-05
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Molecular basis for governing the morphology of type-I collagen fibrils by Osteomodulin.
Commun Biol, 1, 2018
5YD5
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BU of 5yd5 by Molmil
Crystal structure of the scFv antibody 4B08 with epitope peptide (mutation N3A)
分子名称: Peptide epitope (mutation N3A), SULFATE ION, scFv 4B08
著者Caaveiro, J.M.M, Miyanabe, K, Tsumoto, K.
登録日2017-09-11
公開日2018-06-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Intramolecular H-bonds govern the recognition of a flexible peptide by an antibody
J. Biochem., 164, 2018
5YD3
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BU of 5yd3 by Molmil
Crystal structure of the scFv antibody 4B08 with epitope peptide
分子名称: Epitope peptide, GLYCEROL, SULFATE ION, ...
著者Caaveiro, J.M.M, Miyanabe, K, Tsumoto, K.
登録日2017-09-11
公開日2018-06-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Intramolecular H-bonds govern the recognition of a flexible peptide by an antibody
J. Biochem., 164, 2018
5YC5
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BU of 5yc5 by Molmil
Crystal structure of human IgG-Fc in complex with aglycan and optimized Fc gamma receptor IIIa
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Immunoglobulin gamma-1 heavy chain, ...
著者Caaveiro, J.M.M, Tamura, H, Tsumoto, K, Kiyoshi, M.
登録日2017-09-06
公開日2018-03-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Assessing the Heterogeneity of the Fc-Glycan of a Therapeutic Antibody Using an engineered Fc gamma Receptor IIIa-Immobilized Column.
Sci Rep, 8, 2018
5YY4
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BU of 5yy4 by Molmil
Crystal structure of the scFv antibody 4B08 with sulfated epitope peptide
分子名称: C-C chemokine receptor type 5, CHLORIDE ION, SULFATE ION, ...
著者Caaveiro, J.M.M, Miyanabe, K, Tsumoto, K.
登録日2017-12-07
公開日2018-07-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Tyrosine Sulfation Restricts the Conformational Ensemble of a Flexible Peptide, Strengthening the Binding Affinity for an Antibody
Biochemistry, 57, 2018
4TSO
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BU of 4tso by Molmil
Crystal structure of FraC with DHPC bound (crystal form I)
分子名称: 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Fragaceatoxin C, PHOSPHATE ION, ...
著者Caaveiro, J.M.M, Tanaka, K, Tsumoto, K.
登録日2014-06-19
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for self-assembly of a cytolytic pore lined by protein and lipid
Nat Commun, 6, 2015
4TSP
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BU of 4tsp by Molmil
Crystal structure of FraC with DHPC bound (crystal form II)
分子名称: 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Fragaceatoxin C, PHOSPHATE ION, ...
著者Caaveiro, J.M.M, Tanaka, K, Tsumoto, K.
登録日2014-06-19
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis for self-assembly of a cytolytic pore lined by protein and lipid
Nat Commun, 6, 2015
4TSL
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BU of 4tsl by Molmil
Crystal structure of FraC with POC bound (crystal form I)
分子名称: ACETATE ION, FORMIC ACID, Fragaceatoxin C, ...
著者Caaveiro, J.M.M, Tanaka, K, Tsumoto, K.
登録日2014-06-19
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for self-assembly of a cytolytic pore lined by protein and lipid
Nat Commun, 6, 2015
4TSY
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BU of 4tsy by Molmil
Crystal structure of FraC with lipids
分子名称: 2-[[(E,2S,3R)-2-(hexanoylamino)-3-oxidanyl-dec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium, Fragaceatoxin C, HEPTANE-1,2,3-TRIOL, ...
著者Caaveiro, J.M.M, Tanaka, K, Tsumoto, K.
登録日2014-06-19
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Structural basis for self-assembly of a cytolytic pore lined by protein and lipid
Nat Commun, 6, 2015
4TSN
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BU of 4tsn by Molmil
Crystal structure of FraC with POC bound (crystal form II)
分子名称: ACETATE ION, Fragaceatoxin C, GLYCEROL, ...
著者Caaveiro, J.M.M, Tanaka, K, Tsumoto, K.
登録日2014-06-19
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structural basis for self-assembly of a cytolytic pore lined by protein and lipid
Nat Commun, 6, 2015
4TSQ
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BU of 4tsq by Molmil
Crystal structure of FraC with DHPC bound (crystal form III)
分子名称: 1,2-dihexanoyl-sn-glycero-3-phosphocholine, CHLORIDE ION, Fragaceatoxin C, ...
著者Caaveiro, J.M.M, Tanaka, K, Tsumoto, K.
登録日2014-06-19
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for self-assembly of a cytolytic pore lined by protein and lipid
Nat Commun, 6, 2015
4ZMO
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BU of 4zmo by Molmil
Crystal structure of human P-cadherin (ss-dimer K14E)
分子名称: CALCIUM ION, Cadherin-3
著者Caaveiro, J.M.M, Kudo, S, Tsumoto, K.
登録日2015-05-04
公開日2016-09-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism
Structure, 24, 2016
4ZMY
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BU of 4zmy by Molmil
Crystal structure of human P-cadherin (monomer 1)
分子名称: CALCIUM ION, Cadherin-3
著者Caaveiro, J.M.M, Kudo, S, Tsumoto, K.
登録日2015-05-04
公開日2016-09-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism
Structure, 24, 2016
4ZMN
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BU of 4zmn by Molmil
Crystal structure of human P-cadherin (ss-dimer long)
分子名称: CALCIUM ION, Cadherin-3, GLYCEROL
著者Caaveiro, J.M.M, Kudo, S, Tsumoto, K.
登録日2015-05-04
公開日2016-09-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism
Structure, 24, 2016
4ZMX
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BU of 4zmx by Molmil
Crystal structure of human P-cadherin (int-X-dimer)
分子名称: CALCIUM ION, Cadherin-3
著者Caaveiro, J.M.M, Kudo, S, Tsumoto, K.
登録日2015-05-04
公開日2016-09-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism
Structure, 24, 2016
4ZMQ
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BU of 4zmq by Molmil
Crystal structure of human P-cadherin (ss-X-dimer)
分子名称: CALCIUM ION, Cadherin-3, PENTAETHYLENE GLYCOL
著者Caaveiro, J.M.M, Kudo, S, Tsumoto, K.
登録日2015-05-04
公開日2016-09-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism
Structure, 24, 2016

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件を2024-08-07に公開中

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