6RPC
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![BU of 6rpc by Molmil](/molmil-images/mine/6rpc) | GOLGI ALPHA-MANNOSIDASE II | Descriptor: | 1,2-ETHANEDIOL, Alpha-mannosidase 2, SUCCINIC ACID, ... | Authors: | Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, Debets, M, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2019-05-14 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors. J.Am.Chem.Soc., 142, 2020
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6RS0
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![BU of 6rs0 by Molmil](/molmil-images/mine/6rs0) | GOLGI ALPHA-MANNOSIDASE II in complex with (2S,3S,4R,5R)-1-(2-(Benzyloxy)ethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol | Descriptor: | (2~{S},3~{S},4~{R})-2-(hydroxymethyl)-1-(2-phenylmethoxyethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ... | Authors: | Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2019-05-20 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors. J.Am.Chem.Soc., 142, 2020
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5YD4
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![BU of 5yd4 by Molmil](/molmil-images/mine/5yd4) | |
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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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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![BU of 5yd5 by Molmil](/molmil-images/mine/5yd5) | |
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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1WYY
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![BU of 1wyy by Molmil](/molmil-images/mine/1wyy) | Post-fusion hairpin conformation of the sars coronavirus spike glycoprotein | Descriptor: | CHLORIDE ION, E2 Glycoprotein | Authors: | Duquerroy, S, Vigouroux, A, Rottier, P.J.M, Rey, F.A, Bosch, B.J. | Deposit date: | 2005-02-18 | Release date: | 2005-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Central ions and lateral asparagine/glutamine zippers stabilize the post-fusion hairpin conformation of the SARS coronavirus spike glycoprotein Virology, 335, 2005
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1Z3Q
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![BU of 1z3q by Molmil](/molmil-images/mine/1z3q) | Resolution of the structure of the allergenic and antifungal banana fruit thaumatin-like protein at 1.7A | Descriptor: | 1,2-ETHANEDIOL, Thaumatin-like Protein | Authors: | Leone, P, Menu-Bouaouiche, L, Peumans, W.J, Barre, A, Payan, F, Roussel, A, Van Damme, E.J.M, Rouge, P. | Deposit date: | 2005-03-14 | Release date: | 2006-01-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Resolution of the structure of the allergenic and antifungal banana fruit thaumatin-like protein at 1.7-A Biochimie, 88, 2006
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3HKX
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1XJ7
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![BU of 1xj7 by Molmil](/molmil-images/mine/1xj7) | Complex Androgen Receptor LBD and RAC3 peptide | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, RAC3 derived peptide | Authors: | Estebanez-Perpina, E, Moore, J.M.R, Mar, E, Nguyen, P, Delgado-Rodrigues, E, Baxter, J.D, Buehrer, B.M, Webb, P, Fletterick, R.J, Guy, R.K. | Deposit date: | 2004-09-22 | Release date: | 2005-01-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Molecular Mechanisms of Coactivator Utilization in Ligand-dependent Transactivation by the Androgen Receptor J.Biol.Chem., 280, 2005
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1XXR
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![BU of 1xxr by Molmil](/molmil-images/mine/1xxr) | Structure of a mannose-specific jacalin-related lectin from Morus Nigra in complex with mannose | Descriptor: | ACETIC ACID, GLYCEROL, SULFATE ION, ... | Authors: | Rabijns, A, Barre, A, Van Damme, E.J.M, Peumans, W.J, De Ranter, C.J, Rouge, P. | Deposit date: | 2004-11-08 | Release date: | 2005-10-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural analysis of the jacalin-related lectin MornigaM from the black mulberry (Morus nigra) in complex with mannose Febs J., 272, 2005
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1XXQ
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![BU of 1xxq by Molmil](/molmil-images/mine/1xxq) | Structure of a mannose-specific jacalin-related lectin from Morus nigra | Descriptor: | ACETIC ACID, GLYCEROL, SULFATE ION, ... | Authors: | Rabijns, A, Barre, A, Van Damme, E.J.M, Peumans, W.J, De Ranter, C.J, Rouge, P. | Deposit date: | 2004-11-08 | Release date: | 2005-10-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural analysis of the jacalin-related lectin MornigaM from the black mulberry (Morus nigra) in complex with mannose Febs J., 272, 2005
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2CYG
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![BU of 2cyg by Molmil](/molmil-images/mine/2cyg) | Crystal structure at 1.45- resolution of the major allergen endo-beta-1,3-glucanase of banana as a molecular basis for the latex-fruit syndrome | Descriptor: | beta-1, 3-glucananse | Authors: | Receveur-Brechot, V, Czjzek, M, Barre, A, Roussel, A, Peumans, W.J, Van Damme, E.J.M, Rouge, P. | Deposit date: | 2005-07-07 | Release date: | 2005-11-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure at 1.45-A resolution of the major allergen endo-beta-1,3-glucanase of banana as a molecular basis for the latex-fruit syndrome Proteins, 63, 2006
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8UX7
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![BU of 8ux7 by Molmil](/molmil-images/mine/8ux7) | Dioclea megacarpa lectin (DmegA) complexed with X-Man | Descriptor: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, Dioclea megacarpa lectin, ... | Authors: | Oliveira, M.V, De Sloover, G, Osterne, V.J.S, Pinto-Junior, V.R, Sacramento-Neto, J.C, Van Damme, E.J.M, Nascimento, K.S, Cavada, B.S. | Deposit date: | 2023-11-09 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Dioclea megacarpa lectin (DmegA) complexed with X-Man To Be Published
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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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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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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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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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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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![BU of 6af9 by Molmil](/molmil-images/mine/6af9) | |
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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