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
|
|
5AKR
 | | ATOMIC RESOLUTION STRUCTURE OF NITRITE BOUND STATE OF THE ACHROMOBACTER CYCLOCLASTES CU NITRITE REDUCTASE AT 0.87 A RESOLUTION | | Descriptor: | ACETATE ION, COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, ... | | Authors: | Blakeley, M.P, Hasnain, S.S, Antonyuk, S.V. | | Deposit date: | 2015-03-05 | | Release date: | 2015-07-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (0.87 Å) | | Cite: | Sub-Atomic Resolution X-Ray Crystallography and Neutron Crystallography: Promise, Challenges and Potential.
Iucrj, 2, 2015
|
|
1XQN
 | | The 15k neutron structure of saccharide-free concanavalin A | | Descriptor: | CALCIUM ION, Concanavalin A, MANGANESE (II) ION | | Authors: | Blakeley, M.P, Kalb-Gilboa, A.J, Helliwell, J.R, Myles, D.A.A. | | Deposit date: | 2004-10-13 | | Release date: | 2004-11-02 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (2.5 Å) | | Cite: | The 15-K neutron structure of saccharide-free concanavalin A
Proc.Natl.Acad.Sci.Usa, 101, 2004
|
|
2QXW
 | | Perdeuterated alr2 in complex with idd594 | | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | | Authors: | Blakeley, M.P, Ruiz, F, Cachau, R, Hazemann, I, Meilleur, F, Mitschler, A, Ginell, S, Afonine, P, Ventura, O, Cousido-Siah, A, Joachimiak, A, Myles, D, Podjarny, A. | | Deposit date: | 2007-08-13 | | Release date: | 2008-01-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (0.8 Å) | | Cite: | Quantum model of catalysis based on a mobile proton revealed by subatomic x-ray and neutron diffraction studies of h-aldose reductase.
Proc.Natl.Acad.Sci.Usa, 105, 2008
|
|
3R98
 | | Joint Neutron and X-ray structure of Cytochrome c peroxidase | | Descriptor: | Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Blakeley, M.P, Fisher, S.J, Gumiero, A, Moody, P.C.E, Raven, E.L. | | Deposit date: | 2011-03-25 | | Release date: | 2012-04-04 | | Last modified: | 2024-03-20 | | Method: | NEUTRON DIFFRACTION (2.4 Å), X-RAY DIFFRACTION | | Cite: | Hydrogen bonds in heme peroxidases: a combined X-ray and neutron study of cytochrome c peroxidase
To be Published
|
|
3R99
 | | Joint Neutron and X-ray structure of Cytochrome c peroxidase | | Descriptor: | Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Blakeley, M.P, Fisher, S.J, Gumiero, A, Moody, P.C.E, Raven, E.L. | | Deposit date: | 2011-03-25 | | Release date: | 2012-04-04 | | Last modified: | 2024-03-20 | | Method: | NEUTRON DIFFRACTION (2.4 Å), X-RAY DIFFRACTION | | Cite: | Hydrogen bonds in heme peroxidases: a combined X-ray and neutron study of cytochrome c peroxidase
To be Published
|
|
6XV4
 | | Neutron structure of ferric ascorbate peroxidase-ascorbate complex | | Descriptor: | ASCORBIC ACID, Ascorbate peroxidase, POTASSIUM ION, ... | | Authors: | Kwon, H, Basran, J, Devos, J.M, Schrader, T.E, Ostermann, A, Blakeley, M.P, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2020-01-21 | | Release date: | 2020-03-18 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | | Cite: | Visualizing the protons in a metalloenzyme electron proton transfer pathway.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
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
|
|
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
|
|
4YTA
 | | BOND LENGTH ANALYSIS OF ASP, GLU AND HIS RESIDUES IN TRYPSIN AT 1.2A RESOLUTION | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Fisher, S.J, Helliwell, J.R, Blakeley, M.P, Cianci, M, McSweeny, S. | | Deposit date: | 2015-03-17 | | Release date: | 2015-05-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Protonation-state determination in proteins using high-resolution X-ray crystallography: effects of resolution and completeness.
Acta Crystallogr. D Biol. Crystallogr., 68, 2012
|
|
8EYP
 | | Joint X-ray/neutron structure of Salmonella typhimurium tryptophan synthase internal aldimine from microgravity-grown crystal | | Descriptor: | SODIUM ION, Tryptophan synthase alpha chain, Tryptophan synthase beta chain | | Authors: | Drago, V.N, Kovalevsky, A, Blakeley, M.P, Forsyth, V.T, Mueser, T.C. | | Deposit date: | 2022-10-28 | | Release date: | 2024-02-14 | | Last modified: | 2024-05-08 | | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | | Cite: | Neutron diffraction from a microgravity-grown crystal reveals the active site hydrogens of the internal aldimine form of tryptophan synthase.
Cell Rep Phys Sci, 5, 2024
|
|
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
|
|
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: | 2024-05-01 | | 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
|
|
6TAE
 | | Neutron structure of ferric ascorbate peroxidase | | Descriptor: | Ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Kwon, H, Basran, J, Devos, J.M, Schrader, T.E, Ostermann, A, Blakeley, M.P, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2019-10-29 | | Release date: | 2020-03-18 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | | Cite: | Visualizing the protons in a metalloenzyme electron proton transfer pathway.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
4N9S
 | | High resolution X-RAY STRUCTURE OF URATE OXIDASE IN COMPLEX WITH 8-HYDROXYXANTHINE | | Descriptor: | 8-hydroxy-3,9-dihydro-1H-purine-2,6-dione, 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 (1.06 Å) | | Cite: | The neutron structure of urate oxidase resolves a long-standing mechanistic conundrum and reveals unexpected changes in protonation.
Plos One, 9, 2014
|
|
4N3M
 | | Joint neutron/X-ray structure of urate oxidase in complex with 8-azaxanthine | | Descriptor: | 8-AZAXANTHINE, CHLORIDE ION, SODIUM ION, ... | | Authors: | Oksanen, E, Blakeley, M.P, Budayova-Spano, M. | | Deposit date: | 2013-10-07 | | Release date: | 2014-02-05 | | Last modified: | 2018-06-13 | | Method: | NEUTRON DIFFRACTION (1.919 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
|
|
5JPR
 | | Neutron Structure of Compound II of Ascorbate Peroxidase | | Descriptor: | Ascorbate peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Kwon, H, Blakeley, M.P, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2016-05-04 | | Release date: | 2016-12-21 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (1.806 Å), X-RAY DIFFRACTION | | Cite: | Direct visualization of a Fe(IV)-OH intermediate in a heme enzyme.
Nat Commun, 7, 2016
|
|
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: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (1.853 Å), X-RAY DIFFRACTION | | Cite: | A molecular mechanism for transthyretin amyloidogenesis.
Nat Commun, 10, 2019
|
|
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: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | | Cite: | A molecular mechanism for transthyretin amyloidogenesis.
Nat Commun, 10, 2019
|
|
5CE4
 | | High Resolution X-Ray and Neutron diffraction structure of H-FABP | | Descriptor: | Fatty acid-binding protein, heart, OLEIC ACID | | Authors: | Podjarny, A.D, Howard, E.I, Blakeley, M.P, Guillot, B. | | Deposit date: | 2015-07-06 | | Release date: | 2016-03-09 | | Last modified: | 2024-05-08 | | Method: | NEUTRON DIFFRACTION (0.98 Å), X-RAY DIFFRACTION | | Cite: | High-resolution neutron and X-ray diffraction room-temperature studies of an H-FABP-oleic acid complex: study of the internal water cluster and ligand binding by a transferred multipolar electron-density distribution.
Iucrj, 3, 2016
|
|
7O60
 | | Crystal structure of human myelin protein P2 at room temperature from joint X-ray and neutron refinement. | | Descriptor: | CITRIC ACID, Myelin P2 protein, PALMITIC ACID | | Authors: | Laulumaa, S, Blakeley, M.P, Kursula, P. | | Deposit date: | 2021-04-09 | | Release date: | 2021-09-01 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | | Cite: | Human myelin protein P2: from crystallography to time-lapse membrane imaging and neuropathy-associated variants.
Febs J., 288, 2021
|
|
2YZ4
 | | The neutron structure of concanavalin A at 2.2 Angstroms | | Descriptor: | CALCIUM ION, Concanavalin A, MANGANESE (II) ION | | Authors: | Ahmed, H.U, Blakeley, M.P, Cianci, M, Hubbard, J.A, Helliwell, J.R. | | Deposit date: | 2007-05-02 | | Release date: | 2008-02-05 | | Last modified: | 2023-10-25 | | Method: | NEUTRON DIFFRACTION (2.2 Å) | | Cite: | The determination of protonation states in proteins.
Acta Crystallogr.,Sect.D, 63, 2007
|
|
2XQZ
 | | Neutron structure of the perdeuterated Toho-1 R274N R276N double mutant beta-lactamase | | Descriptor: | BETA-LACTAMSE TOHO-1 | | Authors: | Tomanicek, S.J, Wang, K.K, Weiss, K.L, Blakeley, M.P, Cooper, J, Chen, Y, Coates, L. | | Deposit date: | 2010-09-08 | | Release date: | 2010-12-22 | | Last modified: | 2024-05-08 | | Method: | NEUTRON DIFFRACTION (2.1 Å) | | Cite: | The Active Site Protonation States of Perdeuterated Toho-1 Beta-Lactamase Determined by Neutron Diffraction Support a Role for Glu166 as the General Base in Acylation.
FEBS Lett., 585, 2011
|
|
2XR0
 | | Room temperature X-ray structure of the perdeuterated Toho-1 R274N R276N double mutant beta-lactamase | | Descriptor: | SULFATE ION, TOHO-1 BETA-LACTAMASE | | Authors: | Tomanicek, S.J, Wang, K.K, Weiss, K.L, Blakeley, M.P, Cooper, J, Chen, Y, Coates, L. | | Deposit date: | 2010-09-08 | | Release date: | 2010-12-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Active Site Protonation States of Perdeuterated Toho-1 Beta-Lactamase Determined by Neutron Diffraction Support a Role for Glu166 as the General Base in Acylation.
FEBS Lett., 585, 2011
|
|
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: | 2024-05-01 | | 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
|
|
