4AR3
 
 | | Near-atomic resolution neutron crystallography on the oxidised form perdeuterated Pyrococcus furiosus rubredoxin. | | 分子名称: | FE (III) ION, Rubredoxin, deuterium(1+), ... | | 著者 | Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T. | | 登録日 | 2012-04-20 | | 公開日 | 2013-01-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | NEUTRON DIFFRACTION (1.05 Å) | | 主引用文献 | 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. | | 分子名称: | FE (III) ION, Rubredoxin, deuterium(1+), ... | | 著者 | Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T. | | 登録日 | 2012-04-20 | | 公開日 | 2013-01-16 | | 最終更新日 | 2023-05-03 | | 実験手法 | NEUTRON DIFFRACTION (1.381 Å) | | 主引用文献 | 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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3UNX
 | | Bond length analysis of asp, glu and his residues in subtilisin Carlsberg at 1.26A resolution | | 分子名称: | CALCIUM ION, GLYCEROL, SODIUM ION, ... | | 著者 | Fisher, S.J, Helliwell, J.R, Blakeley, M.P, Cianci, M, McSweeny, S. | | 登録日 | 2011-11-16 | | 公開日 | 2012-06-27 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Protonation-state determination in proteins using high-resolution X-ray crystallography: effects of resolution and completeness.
Acta Crystallogr.,Sect.D, 68, 2012
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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. | | 分子名称: | FE (III) ION, RUBREDOXIN | | 著者 | Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T. | | 登録日 | 2012-04-20 | | 公開日 | 2012-12-19 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (0.92 Å) | | 主引用文献 | 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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4CVI
 | | Neutron Structure of Ferric Cytochrome c Peroxidase - Deuterium exchanged at room temperature | | 分子名称: | CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Casadei, C.M, Gumiero, A, Blakeley, M.P, Ostermann, A, Raven, E.L, Moody, P.C.E. | | 登録日 | 2014-03-27 | | 公開日 | 2014-07-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | NEUTRON DIFFRACTION (2.1 Å), X-RAY DIFFRACTION | | 主引用文献 | Neutron Cryo-Crystallography Captures the Protonation State of Ferryl Heme in a Peroxidase
Science, 345, 2014
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2UUF
 | | Thrombin-hirugen binary complex at 1.26A resolution | | 分子名称: | CALCIUM ION, HIRUDIN I, HUMAN ALPHA THROMBIN, ... | | 著者 | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | | 登録日 | 2007-03-02 | | 公開日 | 2007-09-04 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | The Determination of Protonation States in Proteins.
Acta Crystallogr.,Sect.D, 63, 2007
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4CVJ
 | | Neutron Structure of Compound I intermediate of Cytochrome c Peroxidase - Deuterium exchanged 100 K | | 分子名称: | CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Casadei, C.M, Gumiero, A, Blakeley, M.P, Ostermann, A, Raven, E.L, Moody, P.C.E. | | 登録日 | 2014-03-27 | | 公開日 | 2014-07-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | NEUTRON DIFFRACTION (2.182 Å), X-RAY DIFFRACTION | | 主引用文献 | Neutron Cryo-Crystallography Captures the Protonation State of Ferryl Heme in a Peroxidase
Science, 345, 2014
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2UUK
 | | Thrombin-hirugen-gw420128 ternary complex at 1.39A resolution | | 分子名称: | CALCIUM ION, HIRUDIN I, HUMAN ALPHA THROMBIN, ... | | 著者 | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | | 登録日 | 2007-03-03 | | 公開日 | 2007-09-04 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | 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 | | 分子名称: | CALCIUM ION, HIRUDIN I, HUMAN ALPHA THROMBIN, ... | | 著者 | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | | 登録日 | 2007-03-03 | | 公開日 | 2007-09-04 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | 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 | | 分子名称: | BETA-LACTAMSE TOHO-1 | | 著者 | Tomanicek, S.J, Blakeley, M.P, Cooper, J, Chen, Y, Afonine, P, Coates, L. | | 登録日 | 2009-11-20 | | 公開日 | 2010-01-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | NEUTRON DIFFRACTION (2.1 Å) | | 主引用文献 | 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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2UU8
 | | X-ray structure of Ni, Ca concanavalin A at Ultra-high resolution (0. 94A) | | 分子名称: | CALCIUM ION, CONCANAVALIN, NICKEL (II) ION | | 著者 | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | | 登録日 | 2007-03-01 | | 公開日 | 2007-07-31 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (0.94 Å) | | 主引用文献 | The Determination of Protonation States in Proteins.
Acta Crystallogr.,Sect.D, 63, 2007
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6EYM
 | | Neutron crystal structure of perdeuterated galectin-3C in complex with lactose | | 分子名称: | Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | 著者 | Manzoni, F, Coates, L, Blakeley, M.P, Oksanen, E, Logan, D.T. | | 登録日 | 2017-11-13 | | 公開日 | 2018-09-12 | | 最終更新日 | 2024-05-01 | | 実験手法 | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | | 主引用文献 | Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design.
J. Med. Chem., 61, 2018
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6F2Q
 | | Neutron crystal structure of perdeuterated galectin-3C in the ligand-free form | | 分子名称: | Galectin-3 | | 著者 | Manzoni, F, Blakeley, M.P, Oksanen, E, Logan, D.T. | | 登録日 | 2017-11-27 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-05-01 | | 実験手法 | NEUTRON DIFFRACTION (1.03 Å), X-RAY DIFFRACTION | | 主引用文献 | Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design.
J. Med. Chem., 61, 2018
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7B7F
 | | Room temperature X-ray structure of H/D-exchanged PLL lectin in complex with L-fucose | | 分子名称: | PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose | | 著者 | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | 登録日 | 2020-12-10 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | 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 | | 分子名称: | PLL lectin | | 著者 | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | 登録日 | 2020-12-10 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | 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 | | 分子名称: | PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose | | 著者 | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | 登録日 | 2020-12-10 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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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 | | 分子名称: | 8-AZAXANTHINE, SODIUM ION, Uricase | | 著者 | McGregor, L, Bui, S, Blakeley, M.P, Steiner, R.A. | | 登録日 | 2020-08-09 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | NEUTRON DIFFRACTION (1.33 Å), X-RAY DIFFRACTION | | 主引用文献 | 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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7BB4
 | | Crystal structure of perdeuterated PLL lectin in complex with L-fucose | | 分子名称: | GLYCEROL, PLL lectin, alpha-L-fucopyranose, ... | | 著者 | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | 登録日 | 2020-12-16 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 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 | | 分子名称: | PLL lectin | | 著者 | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | 登録日 | 2020-12-17 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-05-01 | | 実験手法 | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | | 主引用文献 | 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 | | 分子名称: | PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose | | 著者 | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | 登録日 | 2020-12-17 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-05-01 | | 実験手法 | NEUTRON DIFFRACTION (1.84 Å), X-RAY DIFFRACTION | | 主引用文献 | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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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) | | 分子名称: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin | | 著者 | Yee, A.W, Moulin, M, Blakeley, M.P, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | | 登録日 | 2018-01-09 | | 公開日 | 2019-01-02 | | 最終更新日 | 2024-05-01 | | 実験手法 | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | | 主引用文献 | A molecular mechanism for transthyretin amyloidogenesis.
Nat Commun, 10, 2019
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6GTJ
 | | Neutron crystal structure for copper nitrite reductase from Achromobacter Cycloclastes at 1.8 A resolution | | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase | | 著者 | Antonyuk, S.V, Blakeley, M.P, Halsted, T.P, Eady, R.R, Hasnain, S.S. | | 登録日 | 2018-06-18 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | NEUTRON DIFFRACTION (1.801 Å) | | 主引用文献 | 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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3Q3L
 | | The neutron crystallographic structure of inorganic pyrophosphatase from Thermococcus thioreducens | | 分子名称: | CALCIUM ION, Tt-IPPase | | 著者 | Hughes, R.C, Coates, L, Blakeley, M.P, Tomanicek, S.J, Meehan, E.J, Garcia-Ruiz, J.M, Ng, J.D. | | 登録日 | 2010-12-22 | | 公開日 | 2012-02-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | NEUTRON DIFFRACTION (2.5 Å) | | 主引用文献 | Inorganic pyrophosphatase crystals from Thermococcus thioreducens for X-ray and neutron diffraction.
Acta Crystallogr.,Sect.F, 68, 2012
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3RZ6
 | | Neutron structure of perdeuterated rubredoxin using 40 hours 1st pass data | | 分子名称: | FE (III) ION, Rubredoxin | | 著者 | Munshi, P, Chung, C.-L, Weiss, K.L, Blakeley, M.P, Myles, D.A.A, Meilleur, F. | | 登録日 | 2011-05-11 | | 公開日 | 2011-12-28 | | 最終更新日 | 2023-09-13 | | 実験手法 | NEUTRON DIFFRACTION (1.75 Å) | | 主引用文献 | 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 | | 分子名称: | FE (III) ION, Rubredoxin | | 著者 | Munshi, P, Chung, C.-L, Weiss, K.L, Blakeley, M.P, Myles, D.A.A, Meilleur, F. | | 登録日 | 2011-05-12 | | 公開日 | 2011-12-28 | | 最終更新日 | 2023-09-13 | | 実験手法 | NEUTRON DIFFRACTION (1.7504 Å) | | 主引用文献 | Rapid visualization of hydrogen positions in protein neutron crystallographic structures.
Acta Crystallogr.,Sect.D, 68, 2012
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