6JB2
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![BU of 6jb2 by Molmil](/molmil-images/mine/6jb2) | Crystal structure of nanobody D3-L11 mutant Y102A in complex with hen egg-white lysozyme | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | Authors: | Caaveiro, J.M.M, Tamura, H, Akiba, H, Tsumoto, K. | Deposit date: | 2019-01-25 | Release date: | 2019-11-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and thermodynamic basis for the recognition of the substrate-binding cleft on hen egg lysozyme by a single-domain antibody. Sci Rep, 9, 2019
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6JB9
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![BU of 6jb9 by Molmil](/molmil-images/mine/6jb9) | Crystal structure of nanobody D3-L11 (unbound form) | Descriptor: | Nanobody D3-L11, SULFATE ION | Authors: | Caaveiro, J.M.M, Tamura, H, Akiba, H, Tsumoto, K. | Deposit date: | 2019-01-25 | Release date: | 2019-11-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structural and thermodynamic basis for the recognition of the substrate-binding cleft on hen egg lysozyme by a single-domain antibody. Sci Rep, 9, 2019
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6LDX
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6LDY
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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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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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3VUA
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![BU of 3vua by Molmil](/molmil-images/mine/3vua) | Apo IsdH-NEAT3 in space group P3121 at a resolution of 1.85 A | Descriptor: | ACETATE ION, GLYCEROL, Iron-regulated surface determinant protein H, ... | Authors: | Vu, N.T, Caaveiro, J.M.M, Moriwaki, Y, Tsumoto, K. | Deposit date: | 2012-06-26 | Release date: | 2013-06-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Indium-porphyrin To be Published
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3VTM
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![BU of 3vtm by Molmil](/molmil-images/mine/3vtm) | Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Indium-porphyrin | Descriptor: | GLYCEROL, Iron-regulated surface determinant protein H, PROTOPORPHYRIN IX CONTAINING INDIUM | Authors: | Vu, N.T, Caaveiro, J.M.M, Moriwaki, Y, Tsumoto, K. | Deposit date: | 2012-05-31 | Release date: | 2013-05-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Selective binding of antimicrobial porphyrins to the heme-receptor IsdH-NEAT3 of Staphylococcus aureus Protein Sci., 22, 2013
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3QUG
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![BU of 3qug by Molmil](/molmil-images/mine/3qug) | Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Gallium-porphyrin | Descriptor: | GLYCEROL, Iron-regulated surface determinant protein H, PROTOPORPHYRIN IX CONTAINING GA, ... | Authors: | Moriwaki, Y, Caaveiro, J.M.M, Tsumoto, K. | Deposit date: | 2011-02-24 | Release date: | 2011-03-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular basis of recognition of antibacterial porphyrins by heme-transporter IsdH-NEAT3 of Staphylococcus aureus. Biochemistry, 50, 2011
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3VWI
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![BU of 3vwi by Molmil](/molmil-images/mine/3vwi) | High resolution crystal structure of FraC in the monomeric form | Descriptor: | AMMONIUM ION, CHLORIDE ION, Fragaceatoxin C, ... | Authors: | Tanaka, K, Morante, K, Caaveiro, J.M.M, Gonzalez-Manas, J.M, Tsumoto, K. | Deposit date: | 2012-08-23 | Release date: | 2013-08-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid Nat Commun, 6, 2015
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3QUH
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5Y25
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![BU of 5y25 by Molmil](/molmil-images/mine/5y25) | EGFR kinase domain mutant (T790M/L858R) with covalent ligand NS-062 | Descriptor: | (2R)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide, Epidermal growth factor receptor | Authors: | Shiroishi, M, Abe, Y, Caaveiro, J.M.M, Sakamoto, S, Morimoto, S, Fuchida, H, Shindo, N, Ojida, A. | Deposit date: | 2017-07-24 | Release date: | 2018-07-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | Selective and reversible modification of kinase cysteines with chlorofluoroacetamides. Nat.Chem.Biol., 15, 2019
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4ZMT
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