5YQ5
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![BU of 5yq5 by Molmil](/molmil-images/mine/5yq5) | Crystal structure of human osteomodulin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Osteomodulin, PHOSPHATE ION | Authors: | Caaveiro, J.M.M, Tashima, T, Tsumoto, K. | Deposit date: | 2017-11-05 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Molecular basis for governing the morphology of type-I collagen fibrils by Osteomodulin. Commun Biol, 1, 2018
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5YD5
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5YD3
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![BU of 5yd3 by Molmil](/molmil-images/mine/5yd3) | Crystal structure of the scFv antibody 4B08 with epitope peptide | Descriptor: | Epitope peptide, GLYCEROL, SULFATE ION, ... | Authors: | Caaveiro, J.M.M, Miyanabe, K, Tsumoto, K. | Deposit date: | 2017-09-11 | Release date: | 2018-06-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Intramolecular H-bonds govern the recognition of a flexible peptide by an antibody J. Biochem., 164, 2018
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5YC5
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![BU of 5yc5 by Molmil](/molmil-images/mine/5yc5) | Crystal structure of human IgG-Fc in complex with aglycan and optimized Fc gamma receptor IIIa | Descriptor: | 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, ... | Authors: | Caaveiro, J.M.M, Tamura, H, Tsumoto, K, Kiyoshi, M. | Deposit date: | 2017-09-06 | Release date: | 2018-03-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | 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
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![BU of 5yy4 by Molmil](/molmil-images/mine/5yy4) | Crystal structure of the scFv antibody 4B08 with sulfated epitope peptide | Descriptor: | C-C chemokine receptor type 5, CHLORIDE ION, SULFATE ION, ... | Authors: | Caaveiro, J.M.M, Miyanabe, K, Tsumoto, K. | Deposit date: | 2017-12-07 | Release date: | 2018-07-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Tyrosine Sulfation Restricts the Conformational Ensemble of a Flexible Peptide, Strengthening the Binding Affinity for an Antibody Biochemistry, 57, 2018
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5BTQ
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![BU of 5btq by Molmil](/molmil-images/mine/5btq) | Crystal structure of human heme oxygenase 1 H25R with biliverdin bound | Descriptor: | BILIVERDINE IX ALPHA, Heme oxygenase 1, SULFATE ION | Authors: | Caaveiro, J.M.M, Morante, K, Sigala, P, Tsumoto, K. | Deposit date: | 2015-06-03 | Release date: | 2016-06-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | In-Cell Enzymology To Probe His-Heme Ligation in Heme Oxygenase Catalysis Biochemistry, 55, 2016
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5BPG
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3VSY
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3VGN
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![BU of 3vgn by Molmil](/molmil-images/mine/3vgn) | Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 3-fluoro-4-nitrophenol | Descriptor: | 3-fluoro-4-nitrophenol, Steroid Delta-isomerase | Authors: | Caaveiro, J.M.M, Pybus, B, Ringe, D, Petsko, G.A, Sigala, P.A. | Deposit date: | 2011-08-16 | Release date: | 2012-08-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | 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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3W9P
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6AFB
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![BU of 6afb by Molmil](/molmil-images/mine/6afb) | DJ-1 C106S incubated with isatin | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, ISATIN, ... | Authors: | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | Deposit date: | 2018-08-08 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6AFL
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![BU of 6afl by Molmil](/molmil-images/mine/6afl) | DJ-1 with compound 15 | Descriptor: | 5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1 | Authors: | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | Deposit date: | 2018-08-08 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6AFD
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![BU of 6afd by Molmil](/molmil-images/mine/6afd) | DJ-1 with compound 6 | Descriptor: | 7-methyl-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1 | Authors: | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | Deposit date: | 2018-08-08 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6AFC
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![BU of 6afc by Molmil](/molmil-images/mine/6afc) | DJ-1 with compound 4 | Descriptor: | 5-fluoranyl-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1 | Authors: | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | Deposit date: | 2018-08-08 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6AF7
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![BU of 6af7 by Molmil](/molmil-images/mine/6af7) | DJ-1 C106S unbound | Descriptor: | CHLORIDE ION, PENTAETHYLENE GLYCOL, Protein/nucleic acid deglycase DJ-1 | Authors: | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | Deposit date: | 2018-08-08 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6AFI
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![BU of 6afi by Molmil](/molmil-images/mine/6afi) | DJ-1 with compound 11 | Descriptor: | 1-ethylindole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1 | Authors: | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | Deposit date: | 2018-08-08 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6AF5
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![BU of 6af5 by Molmil](/molmil-images/mine/6af5) | DJ-1 after backsoaking | Descriptor: | CHLORIDE ION, ISATIN, Protein/nucleic acid deglycase DJ-1 | Authors: | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | Deposit date: | 2018-08-08 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6AFG
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![BU of 6afg by Molmil](/molmil-images/mine/6afg) | DJ-1 with compound 9 | Descriptor: | 1-methylindole-2,3-dione, Protein/nucleic acid deglycase DJ-1 | Authors: | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | Deposit date: | 2018-08-08 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6AFH
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![BU of 6afh by Molmil](/molmil-images/mine/6afh) | DJ-1 with compound 10 | Descriptor: | 1-(2-phenylethyl)indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1 | Authors: | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | Deposit date: | 2018-08-08 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | 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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![BU of 6afa by Molmil](/molmil-images/mine/6afa) | DJ-1 with isatin (low concentration) | Descriptor: | CHLORIDE ION, ISATIN, Protein/nucleic acid deglycase DJ-1 | Authors: | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | Deposit date: | 2018-08-08 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6AFE
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![BU of 6afe by Molmil](/molmil-images/mine/6afe) | DJ-1 with compound 7 | Descriptor: | 7-(trifluoromethyl)-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1 | Authors: | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | Deposit date: | 2018-08-08 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6AF9
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6AFF
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![BU of 6aff by Molmil](/molmil-images/mine/6aff) | DJ-1 with compound 8 | Descriptor: | CHLORIDE ION, Protein/nucleic acid deglycase DJ-1, methyl 2,3-bis(oxidanylidene)-1~{H}-indole-7-carboxylate | Authors: | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | Deposit date: | 2018-08-08 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6AFJ
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![BU of 6afj by Molmil](/molmil-images/mine/6afj) | DJ-1 with compound 13 | Descriptor: | CHLORIDE ION, Protein/nucleic acid deglycase DJ-1, butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate | Authors: | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | Deposit date: | 2018-08-08 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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4ZML
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![BU of 4zml by Molmil](/molmil-images/mine/4zml) | Crystal structure of human P-cadherin (ss-dimer) | Descriptor: | CALCIUM ION, CHLORIDE ION, Cadherin-3, ... | Authors: | Caaveiro, J.M.M, Kudo, S, Tsumoto, K. | Deposit date: | 2015-05-04 | Release date: | 2016-09-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism Structure, 24, 2016
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