4NY6
 
 | | Neutron structure of leucine and valine methyl protonated type III antifreeze | | Descriptor: | Type-3 ice-structuring protein HPLC 12 | | Authors: | Fisher, S.J, Blakeley, M.P, Howard, E.I, Petite-Haertlein, I, Haertlein, M, Mitschler, A, Cousido-Siah, A, Salvaya, A.G, Popov, A, Muller-Dieckmann, C, Petrova, T, Podjarny, A.D. | | Deposit date: | 2013-12-10 | | Release date: | 2014-12-24 | | Last modified: | 2024-02-28 | | Method: | NEUTRON DIFFRACTION (1.05 Å), X-RAY DIFFRACTION | | Cite: | Perdeuteration: improved visualization of solvent structure in neutron macromolecular crystallography.
Acta Crystallogr.,Sect.D, 70, 2014
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3QF6
 | | Neutron structure of type-III Antifreeze Protein allows the reconstruction of AFP-ice interface | | Descriptor: | Type-3 ice-structuring protein HPLC 12 | | Authors: | Howard, E.I, Blakeley, M.P, Haertlein, M, Petit-Haertlein, I, Mitschler, A, Fisher, S.J, Cousido-Siah, A, Salvay, A.G, Popov, A, Muller-Dieckmann, C, Petrova, T, Podjarny, A. | | Deposit date: | 2011-01-21 | | Release date: | 2011-06-22 | | Last modified: | 2024-03-20 | | Method: | NEUTRON DIFFRACTION (1.85 Å) | | Cite: | Neutron structure of type-III antifreeze protein allows the reconstruction of AFP-ice interface.
J.Mol.Recognit., 24, 2011
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6FFT
 | | Neutron structure of human transthyretin (TTR) S52P mutant in complex with tafamidis at room temperature to 2A resolution (quasi-Laue) | | Descriptor: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin | | Authors: | Yee, A.W, Moulin, M, Blakeley, M.P, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | | Deposit date: | 2018-01-09 | | Release date: | 2019-01-02 | | Last modified: | 2019-03-20 | | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | | Cite: | A molecular mechanism for transthyretin amyloidogenesis.
Nat Commun, 10, 2019
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6S3F
 | | Moringa seed protein Mo-CBP3-4 | | Descriptor: | 2S albumin, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Moulin, M, Mossou, E, Mitchell, E.P, Haertlein, M, Forsyth, V.T, Rennie, A.R. | | Deposit date: | 2019-06-25 | | Release date: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Towards a molecular understanding of the water purification properties of Moringa seed proteins.
J Colloid Interface Sci, 554, 2019
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3K2S
 | | Solution structure of double super helix model | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Apolipoprotein A-I, CHOLESTEROL | | Authors: | Wu, Z, Gogonea, V, Lee, X, Wagner, M.A, Li, X.-M, Huang, Y, Undurti, A, May, R.P, Haertlein, M, Moulin, M, Gutsche, I, Zaccai, G, Didonato, J.A, Hazen, L.S. | | Deposit date: | 2009-09-30 | | Release date: | 2010-04-07 | | Last modified: | 2024-02-21 | | Method: | SOLUTION SCATTERING | | Cite: | Double superhelix model of high density lipoprotein.
J.Biol.Chem., 284, 2009
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5NFE
 | | Neutron structure of human transthyretin (TTR) T119M mutant at room temperature to 1.85A resolution | | Descriptor: | Transthyretin | | Authors: | Yee, A.W, Moulin, M, Blakeley, M.P, Ostermann, A, Cooper, J.B, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | | Deposit date: | 2017-03-14 | | Release date: | 2019-01-02 | | Last modified: | 2019-03-20 | | Method: | NEUTRON DIFFRACTION (1.853 Å), X-RAY DIFFRACTION | | Cite: | A molecular mechanism for transthyretin amyloidogenesis.
Nat Commun, 10, 2019
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5NFW
 | | Neutron structure of human transthyretin (TTR) S52P mutant at room temperature to 1.8A resolution (quasi-Laue) | | Descriptor: | Transthyretin | | Authors: | Yee, A.W, Moulin, M, Blakeley, M.P, Cooper, J.B, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | | Deposit date: | 2017-03-16 | | Release date: | 2019-01-02 | | Last modified: | 2019-03-20 | | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | | Cite: | A molecular mechanism for transthyretin amyloidogenesis.
Nat Commun, 10, 2019
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5OME
 | | The cryofrozen atomic resolution X-ray crystal structure of the reduced form (Fe2+) perdeuterated Pyrococcus furiosus Rubredoxin in D2O (100K, 0.75 Angstrom resolution) | | Descriptor: | FE (III) ION, PHOSPHATE ION, Rubredoxin, ... | | Authors: | Cuypers, M.G, Mason, S.A, Mossou, E, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | | Deposit date: | 2017-07-31 | | Release date: | 2018-09-05 | | Last modified: | 2023-02-22 | | Method: | X-RAY DIFFRACTION (0.747 Å) | | Cite: | The cryofrozen atomic resolution X-ray crystal structure of the reduced form (Fe2+) perdeuterated Pyrococcus furiosus Rubredoxin in D2O (100K, 0.75 Angstrom resolution)
To Be Published
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4CE8
 | | Perdeuterated Pseudomonas aeruginosa Lectin II complex with hydrogenated L-Fucose and Calcium | | Descriptor: | CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, SULFATE ION, ... | | Authors: | Cuypers, M.G, Mitchell, E.P, Mossou, E, Pokorna, M, Wimmerova, M, Imberty, A, Moulin, M, Haertlein, M, Forsyth, V.T. | | Deposit date: | 2013-11-10 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L Fucose and Calcium
To be Published
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2PLL
 | | Crystal structure of perdeuterated human arginase I | | Descriptor: | 2(S)-AMINO-6-BORONOHEXANOIC ACID, MANGANESE (II) ION, arginase-1 | | Authors: | Di Costanzo, L, Moulin, M, Haertlein, M, Meilleur, F, Christianson, D.W. | | Deposit date: | 2007-04-19 | | Release date: | 2007-08-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Expression, purification, assay, and crystal structure of perdeuterated human arginase I
Arch.Biochem.Biophys., 465, 2007
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7P6M
 | | Hydrogenated refolded hen egg-white lysozyme | | Descriptor: | ACETATE ION, Lysozyme C, NITRATE ION | | Authors: | Ramos, J, Laux, V, Haertlein, M, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E. | | Deposit date: | 2021-07-16 | | Release date: | 2021-12-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.89 Å) | | Cite: | The impact of folding modes and deuteration on the atomic resolution structure of hen egg-white lysozyme.
Acta Crystallogr D Struct Biol, 77, 2021
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7PSY
 | | X-ray crystal structure of perdeuterated LecB lectin in complex with perdeuterated fucose | | Descriptor: | CALCIUM ION, Fucose-binding lectin, SULFATE ION, ... | | Authors: | Gajdos, L, Blakeley, M.P, Haertlein, M, Forsyth, T.V, Devos, J.M, Imberty, A. | | Deposit date: | 2021-09-24 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Neutron crystallography reveals mechanisms used by Pseudomonas aeruginosa for host-cell binding.
Nat Commun, 13, 2022
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7PRG
 | | Joint X-ray/neutron room temperature structure of perdeuterated LecB lectin in complex with perdeuterated fucose | | Descriptor: | CALCIUM ION, Fucose-binding lectin, SULFATE ION, ... | | Authors: | Gajdos, L, Blakeley, M.P, Haertlein, M, Forsyth, T.V, Devos, J.M, Imberty, A. | | Deposit date: | 2021-09-21 | | Release date: | 2022-01-12 | | Last modified: | 2022-01-26 | | Method: | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | | Cite: | Neutron crystallography reveals mechanisms used by Pseudomonas aeruginosa for host-cell binding.
Nat Commun, 13, 2022
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5NW3
 | | The cryofrozen atomic resolution X-ray crystal structure of perdeuterated Pyrococcus furiosus Rubredoxin (100K, 0.59A resolution) | | Descriptor: | FE (III) ION, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Cuypers, M.G, Mason, S.A, Mossou, E, Haertlein, M, Forsyth, V.T. | | Deposit date: | 2017-05-04 | | Release date: | 2017-06-07 | | Last modified: | 2017-09-13 | | Method: | X-RAY DIFFRACTION (0.59 Å) | | Cite: | The cryofrozen atomic resolution X-ray crystal structure of perdeuterated Pyrococcus furiosus Rubredoxin (100K, 0.59A resolution)
To Be Published
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4AR3
 | | Near-atomic resolution neutron crystallography on the oxidised form perdeuterated Pyrococcus furiosus rubredoxin. | | Descriptor: | FE (III) ION, Rubredoxin, deuterium(1+), ... | | Authors: | Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T. | | Deposit date: | 2012-04-20 | | Release date: | 2013-01-16 | | Last modified: | 2021-06-09 | | Method: | NEUTRON DIFFRACTION (1.05 Å) | | Cite: | Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation State Equilibria in Redox Changes.
Angew.Chem.Int.Ed.Engl., 52, 2013
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4AR4
 | | Neutron crystallographic structure of the reduced form perdeuterated Pyrococcus furiosus rubredoxin to 1.38 Angstrom resolution. | | Descriptor: | FE (III) ION, Rubredoxin, deuterium(1+), ... | | Authors: | Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T. | | Deposit date: | 2012-04-20 | | Release date: | 2013-01-16 | | Last modified: | 2023-05-03 | | Method: | NEUTRON DIFFRACTION (1.381 Å) | | Cite: | Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation State Equilibria in Redox Changes.
Angew.Chem.Int.Ed.Engl., 52, 2013
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2R24
 | | Human Aldose Reductase structure | | Descriptor: | Aldose reductase, IDD594, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Blakeley, M.P, Ruiz, F, Cachau, R, Hazemann, I, Meilleur, F, Mitschler, A, Ginell, S, Afonine, P, Ventura, O.N, Cousido-Siah, A, Haertlein, M, Joachimiak, A, Myles, D, Podjarny, A. | | Deposit date: | 2007-08-24 | | Release date: | 2008-12-23 | | Last modified: | 2024-02-21 | | Method: | NEUTRON DIFFRACTION (1.752 Å), X-RAY DIFFRACTION | | Cite: | Quantum model of catalysis based on mobile proton revealed by subatomic X-Ray and neutron diffraction studies of h-Aldose Reductase
Proc.Natl.Acad.Sci.USA, 105, 2008
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4AR6
 | | X-ray crystallographic structure of the reduced form perdeuterated Pyrococcus furiosus rubredoxin at 295 K (in quartz capillary) to 0.92 Angstroms resolution. | | Descriptor: | FE (III) ION, RUBREDOXIN | | Authors: | Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T. | | Deposit date: | 2012-04-20 | | Release date: | 2012-12-19 | | Last modified: | 2013-01-30 | | Method: | X-RAY DIFFRACTION (0.92 Å) | | Cite: | Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation Equilibria and Hydronium Ions in Redox Changes
Angew.Chem.Int.Ed.Engl., 52, 2013
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4AR5
 | | X-ray crystallographic structure of the oxidised form perdeuterated Pyrococcus furiosus rubredoxin in D2O at 295K (in quartz capillary) to 1.00 Angstrom resolution. | | Descriptor: | FE (III) ION, RUBREDOXIN | | Authors: | Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T. | | Deposit date: | 2012-04-20 | | Release date: | 2012-12-19 | | Last modified: | 2013-01-30 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation Equilibria and Hydronium Ions in Redox Changes
Angew.Chem.Int.Ed.Engl., 52, 2013
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2XGT
 | | Asparaginyl-tRNA synthetase from Brugia malayi complexed with the sulphamoyl analogue of asparaginyl-adenylate | | Descriptor: | 5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE, ASPARAGINYL-TRNA SYNTHETASE, CYTOPLASMIC, ... | | Authors: | Crepin, T, Haertlein, M, Kron, M, Cusack, S. | | Deposit date: | 2010-06-07 | | Release date: | 2010-12-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Hybrid Structural Model of the Complete Brugia Malayi Cytoplasmic Asparaginyl-tRNA Synthetase.
J.Mol.Biol., 405, 2011
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2XTI
 | | Asparaginyl-tRNA synthetase from Brugia malayi complexed with ATP:Mg and L-Asp-beta-NOH adenylate:PPi:Mg | | Descriptor: | 5'-O-[(R)-{[(2S)-2-amino-4-(hydroxyamino)-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosine, ADENOSINE-5'-TRIPHOSPHATE, ASPARAGINYL-TRNA SYNTHETASE, ... | | Authors: | Crepin, T, Haertlein, M, Kron, M, Cusack, S. | | Deposit date: | 2010-10-10 | | Release date: | 2010-12-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A Hybrid Structural Model of the Complete Brugia Malayi Cytoplasmic Asparaginyl-tRNA Synthetase.
J.Mol.Biol., 405, 2011
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7B7F
 | | Room temperature X-ray structure of H/D-exchanged PLL lectin in complex with L-fucose | | Descriptor: | PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose | | Authors: | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | Deposit date: | 2020-12-10 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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7B7E
 | | Room temperature X-ray structure of perdeuterated PLL lectin | | Descriptor: | PLL lectin | | Authors: | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | Deposit date: | 2020-12-10 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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7B7C
 | | Room temperature X-ray structure of perdeuterated PLL lectin in complex with L-fucose | | Descriptor: | PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose | | Authors: | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | Deposit date: | 2020-12-10 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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7BB4
 | | Crystal structure of perdeuterated PLL lectin in complex with L-fucose | | Descriptor: | GLYCEROL, PLL lectin, alpha-L-fucopyranose, ... | | Authors: | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | Deposit date: | 2020-12-16 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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