7XLI
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![BU of 7xli by Molmil](/molmil-images/mine/7xli) | Crystal structure of IsdB linker-NEAT2 bound to a nanobody (VHH) | Descriptor: | CALCIUM ION, CHLORIDE ION, Iron-regulated surface determinant protein B, ... | Authors: | Caaveiro, J.M.M, Valenciano-Bellido, S, Tsumoto, K. | Deposit date: | 2022-04-21 | Release date: | 2023-05-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Targeting hemoglobin receptors IsdH and IsdB of Staphylococcus aureus with a single VHH antibody inhibits bacterial growth. J.Biol.Chem., 299, 2023
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7XLD
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![BU of 7xld by Molmil](/molmil-images/mine/7xld) | Crystal structure of IsdH linker-NEAT3 bound to a nanobody (VHH) | Descriptor: | Iron-regulated surface determinant protein H, MAGNESIUM ION, Nanobody VHH6, ... | Authors: | Caaveiro, J.M.M, Valenciano-Bellido, S, Tsumoto, K. | Deposit date: | 2022-04-21 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Targeting hemoglobin receptors IsdH and IsdB of Staphylococcus aureus with a single VHH antibody inhibits bacterial growth. J.Biol.Chem., 299, 2023
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5GWF
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![BU of 5gwf by Molmil](/molmil-images/mine/5gwf) | FraC with GlcNAc(6S) bound | Descriptor: | 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose, CHLORIDE ION, DELTA-actitoxin-Afr1a, ... | Authors: | Caaveiro, J.M.M, Tsumoto, K. | Deposit date: | 2016-09-11 | Release date: | 2017-06-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Haemolytic actinoporins interact with carbohydrates using their lipid-binding module Philos. Trans. R. Soc. Lond., B, Biol. Sci., 372, 2017
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7W81
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7XAR
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![BU of 7xar by Molmil](/molmil-images/mine/7xar) | Crystal structure of 3C-like protease from SARS-CoV-2 in complex with covalent inhibitor | Descriptor: | 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, ... | Authors: | Caaveiro, J.M.M, Ochi, J, Takahashi, D, Ueda, T, Ojida, A. | Deposit date: | 2022-03-18 | Release date: | 2022-11-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Chlorofluoroacetamide-Based Covalent Inhibitors for Severe Acute Respiratory Syndrome Coronavirus 2 3CL Protease. J.Med.Chem., 65, 2022
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7XL0
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![BU of 7xl0 by Molmil](/molmil-images/mine/7xl0) | Crystal structure of Vobarilizumab at 1.70 Angstrom | Descriptor: | GLYCEROL, Nanobody Vobarilizumab, SULFATE ION | Authors: | Caaveiro, J.M.M, Mori, C, Kinoshita, S, Nakakido, M, Tsumoto, K. | Deposit date: | 2022-04-20 | Release date: | 2022-11-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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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7XL1
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![BU of 7xl1 by Molmil](/molmil-images/mine/7xl1) | Crystal structure of chimeric 7D12-Vob nanobody at 1.65 Angstrom | Descriptor: | Chimeric 7D12-Vob nanobody, MALONATE ION | Authors: | Caaveiro, J.M.M, Kinoshita, S, Mori, C, Nakakido, M, Tsumoto, K. | Deposit date: | 2022-04-20 | Release date: | 2022-11-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | 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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8JOW
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5JYM
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![BU of 5jym by Molmil](/molmil-images/mine/5jym) | Human P-cadherin EC12 with scFv TSP11 bound | Descriptor: | Antibody scFv TSP11, CALCIUM ION, Cadherin-3 | Authors: | Caaveiro, J.M.M, Kudo, S, Tsumoto, K. | Deposit date: | 2016-05-14 | Release date: | 2016-12-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Disruption of cell adhesion by an antibody targeting the cell-adhesive intermediate (X-dimer) of human P-cadherin Sci Rep, 7, 2017
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5JYL
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![BU of 5jyl by Molmil](/molmil-images/mine/5jyl) | Human P-cadherin MEC1 with scFv TSP7 bound | Descriptor: | CHLORIDE ION, Cadherin-3, GLYCEROL, ... | Authors: | Caaveiro, J.M.M, Kudo, S, Tsumoto, K. | Deposit date: | 2016-05-14 | Release date: | 2016-12-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Disruption of cell adhesion by an antibody targeting the cell-adhesive intermediate (X-dimer) of human P-cadherin Sci Rep, 7, 2017
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8H64
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8H62
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![BU of 8h62 by Molmil](/molmil-images/mine/8h62) | Crystal structure of Internalin A from Listeria monocytogenes with human E-cadherin EC12 | Descriptor: | ACETATE ION, CALCIUM ION, Cadherin-1, ... | Authors: | Caaveiro, J.M.M, Nagatoish, S, Tsumoto, K. | Deposit date: | 2022-10-14 | Release date: | 2023-10-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Anti-InlA single-domain antibodies that inhibit the cell invasion of Listeria monocytogenes. J.Biol.Chem., 299, 2023
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8H63
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![BU of 8h63 by Molmil](/molmil-images/mine/8h63) | Crystal structure of Internalin A from Listeria monocytogenes with nanobody VHH10 bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Caaveiro, J.M.M, Nagatoish, S, Tsumoto, K. | Deposit date: | 2022-10-15 | Release date: | 2023-10-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Anti-InlA single-domain antibodies that inhibit the cell invasion of Listeria monocytogenes. J.Biol.Chem., 299, 2023
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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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5YD4
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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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