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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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: | 2024-05-08 | 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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4CVJ
| Neutron Structure of Compound I intermediate of Cytochrome c Peroxidase - Deuterium exchanged 100 K | Descriptor: | CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Casadei, C.M, Gumiero, A, Blakeley, M.P, Ostermann, A, Raven, E.L, Moody, P.C.E. | Deposit date: | 2014-03-27 | Release date: | 2014-07-16 | Last modified: | 2024-05-08 | Method: | NEUTRON DIFFRACTION (2.182 Å), X-RAY DIFFRACTION | Cite: | Neutron Cryo-Crystallography Captures the Protonation State of Ferryl Heme in a Peroxidase Science, 345, 2014
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4CVI
| Neutron Structure of Ferric Cytochrome c Peroxidase - Deuterium exchanged at room temperature | Descriptor: | CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Casadei, C.M, Gumiero, A, Blakeley, M.P, Ostermann, A, Raven, E.L, Moody, P.C.E. | Deposit date: | 2014-03-27 | Release date: | 2014-07-16 | Last modified: | 2024-05-08 | Method: | NEUTRON DIFFRACTION (2.1 Å), X-RAY DIFFRACTION | Cite: | Neutron Cryo-Crystallography Captures the Protonation State of Ferryl Heme in a Peroxidase Science, 345, 2014
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7A0L
| Joint neutron/X-ray room temperature structure of perdeuterated Aspergillus flavus urate oxidase in complex with the 8-azaxanthine inhibitor and catalytic water bound in the peroxo hole | Descriptor: | 8-AZAXANTHINE, SODIUM ION, Uricase | Authors: | McGregor, L, Bui, S, Blakeley, M.P, Steiner, R.A. | Deposit date: | 2020-08-09 | Release date: | 2020-12-09 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.33 Å), X-RAY DIFFRACTION | Cite: | Joint neutron/X-ray crystal structure of a mechanistically relevant complex of perdeuterated urate oxidase and simulations provide insight into the hydration step of catalysis. Iucrj, 8, 2021
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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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7BBI
| Joint X-ray/neutron room temperature structure of H/D-exchanged 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: | 2020-12-17 | Release date: | 2021-03-17 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | 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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7BBC
| Joint X-ray/neutron room temperature structure of perdeuterated PLL lectin in complex with perdeuterated 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: | 2020-12-17 | Release date: | 2021-03-24 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.84 Å), X-RAY DIFFRACTION | 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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6GTJ
| Neutron crystal structure for copper nitrite reductase from Achromobacter Cycloclastes at 1.8 A resolution | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase | Authors: | Antonyuk, S.V, Blakeley, M.P, Halsted, T.P, Eady, R.R, Hasnain, S.S. | Deposit date: | 2018-06-18 | Release date: | 2019-07-03 | Last modified: | 2024-01-17 | Method: | NEUTRON DIFFRACTION (1.801 Å) | Cite: | Catalytically important damage-free structures of a copper nitrite reductase obtained by femtosecond X-ray laser and room-temperature neutron crystallography. Iucrj, 6, 2019
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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: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | Cite: | A molecular mechanism for transthyretin amyloidogenesis. Nat Commun, 10, 2019
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2UUK
| Thrombin-hirugen-gw420128 ternary complex at 1.39A resolution | Descriptor: | CALCIUM ION, HIRUDIN I, HUMAN ALPHA THROMBIN, ... | Authors: | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | Deposit date: | 2007-03-03 | Release date: | 2007-09-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | The Determination of Protonation States in Proteins. Acta Crystallogr.,Sect.D, 63, 2007
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2UU8
| X-ray structure of Ni, Ca concanavalin A at Ultra-high resolution (0. 94A) | Descriptor: | CALCIUM ION, CONCANAVALIN, NICKEL (II) ION | Authors: | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | Deposit date: | 2007-03-01 | Release date: | 2007-07-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | The Determination of Protonation States in Proteins. Acta Crystallogr.,Sect.D, 63, 2007
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2UUJ
| Thrombin-hirugen-gw473178 ternary complex at 1.32A resolution | Descriptor: | CALCIUM ION, HIRUDIN I, HUMAN ALPHA THROMBIN, ... | Authors: | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | Deposit date: | 2007-03-03 | Release date: | 2007-09-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | The Determination of Protonation States in Proteins. Acta Crystallogr.,Sect.D, 63, 2007
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2UUF
| Thrombin-hirugen binary complex at 1.26A resolution | Descriptor: | CALCIUM ION, HIRUDIN I, HUMAN ALPHA THROMBIN, ... | Authors: | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | Deposit date: | 2007-03-02 | Release date: | 2007-09-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | The Determination of Protonation States in Proteins. Acta Crystallogr.,Sect.D, 63, 2007
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2WYX
| Neutron structure of a class A Beta-lactamase Toho-1 E166A R274N R276N triple mutant | Descriptor: | BETA-LACTAMSE TOHO-1 | Authors: | Tomanicek, S.J, Blakeley, M.P, Cooper, J, Chen, Y, Afonine, P, Coates, L. | Deposit date: | 2009-11-20 | Release date: | 2010-01-12 | Last modified: | 2024-05-08 | Method: | NEUTRON DIFFRACTION (2.1 Å) | Cite: | Neutron Diffraction Studies of a Class a Beta-Lactamase Toho-1 E166A R274N R276N Triple Mutant J.Mol.Biol., 396, 2010
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4N9V
| High resolution x-ray structure of urate oxidase in complex with 8-azaxanthine | Descriptor: | 8-AZAXANTHINE, CHLORIDE ION, GLYCEROL, ... | Authors: | Oksanen, E, Blakeley, M.P, Budayova-Spano, M. | Deposit date: | 2013-10-21 | Release date: | 2014-02-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The neutron structure of urate oxidase resolves a long-standing mechanistic conundrum and reveals unexpected changes in protonation. Plos One, 9, 2014
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4N9M
| Joint neutron/x-ray structure of urate oxidase in complex with 8-hydroxyxanthine | Descriptor: | 8-hydroxy-3,9-dihydro-1H-purine-2,6-dione, CHLORIDE ION, SODIUM ION, ... | Authors: | Oksanen, E, Blakeley, M.P, Budayova-Spano, M. | Deposit date: | 2013-10-21 | Release date: | 2014-02-05 | Last modified: | 2018-06-13 | Method: | NEUTRON DIFFRACTION (2.023 Å), X-RAY DIFFRACTION | Cite: | The neutron structure of urate oxidase resolves a long-standing mechanistic conundrum and reveals unexpected changes in protonation. Plos One, 9, 2014
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3Q3L
| The neutron crystallographic structure of inorganic pyrophosphatase from Thermococcus thioreducens | Descriptor: | CALCIUM ION, Tt-IPPase | Authors: | Hughes, R.C, Coates, L, Blakeley, M.P, Tomanicek, S.J, Meehan, E.J, Garcia-Ruiz, J.M, Ng, J.D. | Deposit date: | 2010-12-22 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | NEUTRON DIFFRACTION (2.5 Å) | Cite: | Inorganic pyrophosphatase crystals from Thermococcus thioreducens for X-ray and neutron diffraction. Acta Crystallogr.,Sect.F, 68, 2012
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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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3RZ6
| Neutron structure of perdeuterated rubredoxin using 40 hours 1st pass data | Descriptor: | FE (III) ION, Rubredoxin | Authors: | Munshi, P, Chung, C.-L, Weiss, K.L, Blakeley, M.P, Myles, D.A.A, Meilleur, F. | Deposit date: | 2011-05-11 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | NEUTRON DIFFRACTION (1.75 Å) | Cite: | Rapid visualization of hydrogen positions in protein neutron crystallographic structures. Acta Crystallogr.,Sect.D, 68, 2012
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3RZT
| Neutron structure of perdeuterated rubredoxin using rapid (14 hours) data | Descriptor: | FE (III) ION, Rubredoxin | Authors: | Munshi, P, Chung, C.-L, Weiss, K.L, Blakeley, M.P, Myles, D.A.A, Meilleur, F. | Deposit date: | 2011-05-12 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | NEUTRON DIFFRACTION (1.7504 Å) | Cite: | Rapid visualization of hydrogen positions in protein neutron crystallographic structures. Acta Crystallogr.,Sect.D, 68, 2012
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3RYG
| 128 hours neutron structure of perdeuterated rubredoxin | Descriptor: | FE (III) ION, Rubredoxin | Authors: | Munshi, P, Chung, C.-L, Weiss, K.L, Blakeley, M.P, Myles, D.A.A, Meilleur, F. | Deposit date: | 2011-05-11 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | NEUTRON DIFFRACTION (1.75 Å) | Cite: | Rapid visualization of hydrogen positions in protein neutron crystallographic structures. Acta Crystallogr.,Sect.D, 68, 2012
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