7XAR
 
 | | Crystal structure of 3C-like protease from SARS-CoV-2 in complex with covalent inhibitor | | 分子名称: | 3C-like proteinase, 4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide, CHLORIDE ION, ... | | 著者 | Caaveiro, J.M.M, Ochi, J, Takahashi, D, Ueda, T, Ojida, A. | | 登録日 | 2022-03-18 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of Chlorofluoroacetamide-Based Covalent Inhibitors for Severe Acute Respiratory Syndrome Coronavirus 2 3CL Protease.
J.Med.Chem., 65, 2022
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7XL1
 | | Crystal structure of chimeric 7D12-Vob nanobody at 1.65 Angstrom | | 分子名称: | Chimeric 7D12-Vob nanobody, MALONATE ION | | 著者 | Caaveiro, J.M.M, Kinoshita, S, Mori, C, Nakakido, M, Tsumoto, K. | | 登録日 | 2022-04-20 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Molecular basis for thermal stability and affinity in a VHH: Contribution of the framework region and its influence in the conformation of the CDR3.
Protein Sci., 31, 2022
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3VGN
 | | Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 3-fluoro-4-nitrophenol | | 分子名称: | 3-fluoro-4-nitrophenol, Steroid Delta-isomerase | | 著者 | Caaveiro, J.M.M, Pybus, B, Ringe, D, Petsko, G.A, Sigala, P.A. | | 登録日 | 2011-08-16 | | 公開日 | 2012-08-22 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Quantitative dissection of hydrogen bond-mediated proton transfer in the ketosteroid isomerase active site
Proc.Natl.Acad.Sci.USA, 110, 2013
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3VSY
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3W9P
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6AFB
 | | 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
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6AFL
 | | 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
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6AFC
 | | 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
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6AFD
 | | 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
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6AF7
 | | 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
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6AFI
 | | 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
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6AF5
 | | 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
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6AFG
 | | 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
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6AFH
 | | 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
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6AFA
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5YD4
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5YQ5
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5YD5
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5YD3
 | | 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
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5YC5
 | | 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
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5YY4
 | | 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
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4ZMO
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4ZMY
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4ZMN
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4ZMX
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