4D0T
| GalNAc-T2 crystal soaked with UDP-GalNAc, EA2 peptide and manganese | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, MANGANESE (II) ION, ... | Authors: | Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R. | Deposit date: | 2014-04-30 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N-Acetylgalactosaminyltransferase 2. Angew.Chem.Int.Ed.Engl., 53, 2014
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2N2X
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2N2W
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2N2V
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2N73
| Solution structure of the ACBD3:PI4KB complex | Descriptor: | Golgi resident protein GCP60, Phosphatidylinositol 4-kinase beta | Authors: | Veverka, V, Hexnerova, R. | Deposit date: | 2015-09-02 | Release date: | 2016-07-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insights and in vitro reconstitution of membrane targeting and activation of human PI4KB by the ACBD3 protein. Sci Rep, 6, 2016
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2N72
| Solution structure of the Q domain from ACBD3 | Descriptor: | Golgi resident protein GCP60 | Authors: | Veverka, V, Hexnerova, R. | Deposit date: | 2015-09-02 | Release date: | 2016-07-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insights and in vitro reconstitution of membrane targeting and activation of human PI4KB by the ACBD3 protein. Sci Rep, 6, 2016
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4IGE
| Crystal structure of Plasmodium falciparum FabI complexed with NAD and inhibitor 7-(4-Chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one | Descriptor: | 7-(4-chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one, Enoyl-acyl carrier reductase, GLYCEROL, ... | Authors: | Kostrewa, D, Perozzo, R. | Deposit date: | 2012-12-17 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Design, Synthesis, and Biological and Crystallographic Evaluation of Novel Inhibitors of Plasmodium falciparum Enoyl-ACP-reductase (PfFabI) J.Med.Chem., 56, 2013
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4IGF
| Crystal structure of Plasmodium falciparum FabI complexed with NAD and inhibitor 3-(4-Chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one | Descriptor: | 3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one, Enoyl-acyl carrier reductase, GLYCEROL, ... | Authors: | Kostrewa, D, Perozzo, R. | Deposit date: | 2012-12-17 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design, Synthesis, and Biological and Crystallographic Evaluation of Novel Inhibitors of Plasmodium falciparum Enoyl-ACP-reductase (PfFabI) J.Med.Chem., 56, 2013
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2PZG
| Minimal human CFTR first nucleotide binding domain as a monomer | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, GLYCEROL, ... | Authors: | Atwell, S, Conners, K, Emtage, S, Gheyi, T, Glenn, N.R, Hendle, J, Lewis, H.A, Lu, F, Rodgers, L.A, Romero, R, Sauder, J.M, Smith, D, Tien, H, Wasserman, S.R, Zhao, X. | Deposit date: | 2007-05-18 | Release date: | 2007-10-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of a minimal human CFTR first nucleotide-binding domain as a monomer, head-to-tail homodimer, and pathogenic mutant. Protein Eng.Des.Sel., 23, 2010
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2PZF
| Minimal human CFTR first nucleotide binding domain as a head-to-tail dimer with delta F508 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Atwell, S, Conners, K, Emtage, S, Gheyi, T, Glenn, N.R, Hendle, J, Lewis, H.A, Lu, F, Rodgers, L.A, Romero, R, Sauder, J.M, Smith, D, Tien, H, Wasserman, S.R, Zhao, X. | Deposit date: | 2007-05-18 | Release date: | 2007-10-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of a minimal human CFTR first nucleotide-binding domain as a monomer, head-to-tail homodimer, and pathogenic mutant. Protein Eng.Des.Sel., 23, 2010
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3RDP
| Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with N-METHYL-FHBT | Descriptor: | 6-[(2R)-2-(fluoromethyl)-3-hydroxy-propyl]-1,5-dimethyl-pyrimidine-2,4-dione, SULFATE ION, Thymidine kinase | Authors: | Pernot, L, Perozzo, R, Westermaier, Y, Martic, M, Ametamey, S, Scapozza, L. | Deposit date: | 2011-04-01 | Release date: | 2011-08-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Synthesis, crystal structure, and in vitro biological evaluation of C-6 pyrimidine derivatives: new lead structures for monitoring gene expression in vivo. Nucleosides Nucleotides Nucleic Acids, 30, 2011
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2QR3
| Crystal structure of the N-terminal signal receiver domain of two-component system response regulator from Bacteroides fragilis | Descriptor: | Two-component system response regulator | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Mendoza, M, Romero, R, Fong, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-07-27 | Release date: | 2007-08-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the N-terminal signal receiver domain of two-component system response regulator from Bacteroides fragilis. To be Published
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2PZE
| Minimal human CFTR first nucleotide binding domain as a head-to-tail dimer | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Atwell, S, Conners, K, Emtage, S, Gheyi, T, Glenn, N.R, Hendle, J, Lewis, H.A, Lu, F, Rodgers, L.A, Romero, R, Sauder, J.M, Smith, D, Tien, H, Wasserman, S.R, Zhao, X. | Deposit date: | 2007-05-17 | Release date: | 2007-10-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of a minimal human CFTR first nucleotide-binding domain as a monomer, head-to-tail homodimer, and pathogenic mutant. Protein Eng.Des.Sel., 23, 2010
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2SPZ
| STAPHYLOCOCCAL PROTEIN A, Z-DOMAIN, NMR, 10 STRUCTURES | Descriptor: | IMMUNOGLOBULIN G BINDING PROTEIN A | Authors: | Montelione, G.T, Tashiro, M, Tejero, R, Lyons, B.A. | Deposit date: | 1998-07-29 | Release date: | 1998-08-05 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | High-resolution solution NMR structure of the Z domain of staphylococcal protein A. J.Mol.Biol., 272, 1997
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4D0Z
| GalNAc-T2 crystal soaked with UDP-5SGalNAc, mEA2 and manganese (Higher resolution dataset) | Descriptor: | (2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose, ... | Authors: | Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R. | Deposit date: | 2014-04-30 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N- Acetylgalactosaminyltransferase 2. Angew.Chem.Int.Ed.Engl., 53, 2014
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4D11
| GalNAc-T2 crystal soaked with UDP-5SGalNAc, mEA2 peptide and manganese (Lower resolution dataset) | Descriptor: | 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose, MANGANESE (II) ION, PEPTIDE, ... | Authors: | Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R. | Deposit date: | 2014-05-01 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N- Acetylgalactosaminyltransferase 2. Angew.Chem.Int.Ed.Engl., 53, 2014
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7YX8
| Crystal structure of the AM0627 (E326A) inactive mutant in complex with PSGL-1-like bis-T glycopeptide and Zn2+ | Descriptor: | GLYCEROL, PSGL-1-like bis-T glycopeptide, Peptidase M60 domain-containing protein, ... | Authors: | Taleb, V, Liao, Q, Narimatsu, Y, Garcia-Garcia, A, Companon, I, Borges, R.J, Gonzalez-Ramirez, A.M, Corzana, F, Clausen, H, Rovira, C, Hurtado-Guerrero, R. | Deposit date: | 2022-02-15 | Release date: | 2022-07-20 | Last modified: | 2022-08-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and mechanistic insights into the cleavage of clustered O-glycan patches-containing glycoproteins by mucinases of the human gut. Nat Commun, 13, 2022
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3MEF
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4A3T
| yeast regulatory particle proteasome assembly chaperone Hsm3 | Descriptor: | DNA MISMATCH REPAIR PROTEIN HSM3 | Authors: | Richet, N, Barrault, M.B, Godart, C, Murciano, B, Le Tallec, B, Rousseau, E, Ledu, M.H, Charbonnier, J.B, Legrand, P, Guerois, R, Peyroche, A, Ochsenbein, F. | Deposit date: | 2011-10-04 | Release date: | 2012-04-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Dual Functions of the Hsm3 Protein in Chaperoning and Scaffolding Regulatory Particle Subunits During the Proteasome Assembly. Proc.Natl.Acad.Sci.USA, 109, 2012
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4BJU
| Genetic and structural validation of Aspergillus fumigatus N- acetylphosphoglucosamine mutase as an antifungal target | Descriptor: | MAGNESIUM ION, N-ACETYLGLUCOSAMINE-PHOSPHATE MUTASE | Authors: | Fang, W, Raimi, O.G, Hurtado Guerrero, R, van Aalten, D.M.F. | Deposit date: | 2013-04-19 | Release date: | 2013-05-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Genetic and Structural Validation of Aspergillus Fumigatus N-Acetylphosphoglucosamine Mutase as an Antifungal Target. Biosci.Rep, 33, 2013
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4A3V
| yeast regulatory particle proteasome assembly chaperone Hsm3 in complex with Rpt1 C-terminal fragment | Descriptor: | 26S PROTEASE REGULATORY SUBUNIT 7 HOMOLOG, DNA MISMATCH REPAIR PROTEIN HSM3, LINKER | Authors: | Richet, N, Barrault, M.B, Godart, C, Murciano, B, Le Tallec, B, Rousseau, E, Ledu, M.H, Charbonnier, J.B, Legrand, P, Guerois, R, Peyroche, A, Ochsenbein, F. | Deposit date: | 2011-10-04 | Release date: | 2012-04-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Dual Functions of the Hsm3 Protein in Chaperoning and Scaffolding Regulatory Particle Subunits During the Proteasome Assembly. Proc.Natl.Acad.Sci.USA, 109, 2012
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1T2X
| Glactose oxidase C383S mutant identified by directed evolution | Descriptor: | ACETATE ION, COPPER (II) ION, Galactose Oxidase, ... | Authors: | Wilkinson, D, Akumanyi, N, Hurtado-Guerrero, R, Dawkes, H, Knowles, P.F, Phillips, S.E.V, McPherson, M.J. | Deposit date: | 2004-04-23 | Release date: | 2004-05-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and kinetic studies of a series of mutants of galactose oxidase identified by directed evolution. Protein Eng.Des.Sel., 17, 2004
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1TEY
| NMR structure of human histone chaperone, ASF1A | Descriptor: | ASF1 anti-silencing function 1 homolog A | Authors: | Mousson, F, Lautrette, A, Thuret, J.Y, Agez, M, Amigues, B, Courbeyrette, R, Neumann, J.M, Guerois, R, Mann, C, Ochsenbein, F. | Deposit date: | 2004-05-26 | Release date: | 2005-04-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural basis for the interaction of Asf1 with histone H3 and its functional implications. Proc.Natl.Acad.Sci.Usa, 102, 2005
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2WZG
| Legionella glucosyltransferase (Lgt1) crystal structure | Descriptor: | GLUCOSYLTRANSFERASE, MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE-GLUCOSE | Authors: | Hurtado-Guerrero, R, Zusman, T, Pathak, S, Ibrahim, A.F.M, Shepherd, S, Prescott, A, Segal, G, Van Aalten, D.M.F. | Deposit date: | 2009-11-29 | Release date: | 2009-12-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Mechanism of Elongation Factor 1A Inhibition by a Legionella Pneumophila Glycosyltransferase. Biochem.J., 426, 2010
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2UY4
| ScCTS1_acetazolamide crystal structure | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, ENDOCHITINASE | Authors: | Hurtado-Guerrero, R, van Aalten, D.M.F. | Deposit date: | 2007-04-02 | Release date: | 2007-04-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of Saccharomyces Cerevisiae Chitinase 1 and Screening-Based Discovery of Potent Inhibitors. Chem.Biol., 14, 2007
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