7CUE
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![BU of 7cue by Molmil](/molmil-images/mine/7cue) | Crystal structure of HID2 bound to human Hemoglobin | Descriptor: | Amino acid ABC transporter substrate-binding protein, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Caaveiro, J.M.M, Hoshino, M, Tsumoto, K. | Deposit date: | 2020-08-22 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis for the recognition of human hemoglobin by the Shr protein from Streptococcus pyogenes To Be Published
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7CUD
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3FZW
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![BU of 3fzw by Molmil](/molmil-images/mine/3fzw) | Crystal Structure of Ketosteroid Isomerase D40N-D103N from Pseudomonas putida (pKSI) with bound equilenin | Descriptor: | EQUILENIN, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Caaveiro, J.M.M, Ringe, D, Petsko, G.A. | Deposit date: | 2009-01-26 | Release date: | 2009-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Hydrogen bond coupling in the ketosteroid isomerase active site. Biochemistry, 48, 2009
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8JOW
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3CPO
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![BU of 3cpo by Molmil](/molmil-images/mine/3cpo) | Crystal structure of ketosteroid isomerase D40N with bound 2-fluorophenol | Descriptor: | 2-fluorophenol, Delta(5)-3-ketosteroid isomerase | Authors: | Caaveiro, J.M.M, Pybus, B, Ringe, D, Petsko, G. | Deposit date: | 2008-03-31 | Release date: | 2008-09-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole J.Am.Chem.Soc., 130, 2008
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5X08
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![BU of 5x08 by Molmil](/molmil-images/mine/5x08) | Crystal structure of broadly neutralizing anti-HIV-1 antibody 4E10, mutant Npro, with peptide bound | Descriptor: | ACETATE ION, CHLORIDE ION, Envelope glycoprotein gp160, ... | Authors: | Caaveiro, J.M.M, Rujas, E, Nieva, J.L, Tsumoto, K. | Deposit date: | 2017-01-20 | Release date: | 2017-04-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Functional Contacts between MPER and the Anti-HIV-1 Broadly Neutralizing Antibody 4E10 Extend into the Core of the Membrane J. Mol. Biol., 429, 2017
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8YX9
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![BU of 8yx9 by Molmil](/molmil-images/mine/8yx9) | CD40 in complex with Dacetuzumab Fab | Descriptor: | Dacetuzumab, Heavy chain, light chain, ... | Authors: | Caaveiro, J.M.M, Fernandez-Perez, J, Tsumoto, K. | Deposit date: | 2024-04-02 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of human CD40 in complex with monoclonal antibodies dacetuzumab and bleselumab. Biochem.Biophys.Res.Commun., 714, 2024
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8YX1
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![BU of 8yx1 by Molmil](/molmil-images/mine/8yx1) | CD40 in complex with Bleselumab Fab | Descriptor: | Bleselumab, heavy chain, light chain, ... | Authors: | Caaveiro, J.M.M, Fernandez-Perez, J, Tsumoto, K. | Deposit date: | 2024-04-01 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of human CD40 in complex with monoclonal antibodies dacetuzumab and bleselumab. Biochem.Biophys.Res.Commun., 714, 2024
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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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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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7W81
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7WKI
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3W9P
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4W4O
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![BU of 4w4o by Molmil](/molmil-images/mine/4w4o) | High-resolution crystal structure of Fc bound to its human receptor Fc-gamma-RI | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ... | Authors: | Caaveiro, J.M.M, Kiyoshi, M, Tsumoto, K. | Deposit date: | 2014-08-15 | Release date: | 2015-04-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for binding of human IgG1 to its high-affinity human receptor Fc gamma RI Nat Commun, 6, 2015
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4W4N
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![BU of 4w4n by Molmil](/molmil-images/mine/4w4n) | Crystal structure of human Fc at 1.80 A | 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)-2-acetamido-2-deoxy-beta-D-glucopyranose, 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, GLYCEROL, ... | Authors: | Caaveiro, J.M.M, Kiyoshi, M, Tsumoto, K. | Deposit date: | 2014-08-15 | Release date: | 2015-04-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for binding of human IgG1 to its high-affinity human receptor Fc gamma RI Nat Commun, 6, 2015
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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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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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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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6JB8
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![BU of 6jb8 by Molmil](/molmil-images/mine/6jb8) | Crystal structure of nanobody D3-L11 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 (1.65 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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6JB5
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![BU of 6jb5 by Molmil](/molmil-images/mine/6jb5) | Crystal structure of nanobody D3-L11 mutant Y102A in complex with hen egg-white lysozyme (form II) | 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 (1.55 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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6K2G
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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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