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5AKR
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BU of 5akr by Molmil
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
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BU of 1xqn by Molmil
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:2024-03-13
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
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BU of 2qxw by Molmil
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
2R24
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BU of 2r24 by Molmil
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
3R98
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BU of 3r98 by Molmil
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
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BU of 3r99 by Molmil
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
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BU of 6xv4 by Molmil
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:2020-07-29
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
4YTA
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BU of 4yta by Molmil
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
5JPR
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BU of 5jpr by Molmil
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:2019-10-16
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
6TAE
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BU of 6tae by Molmil
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:2020-04-08
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
8EYP
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BU of 8eyp by Molmil
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:2024-02-28
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
7O60
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BU of 7o60 by Molmil
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:2021-12-15
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
5CE4
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BU of 5ce4 by Molmil
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:2018-11-14
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
7PRG
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BU of 7prg by Molmil
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
7PSY
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BU of 7psy by Molmil
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
5NFE
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BU of 5nfe by Molmil
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
5NFW
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BU of 5nfw by Molmil
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
6EYM
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BU of 6eym by Molmil
Neutron crystal structure of perdeuterated galectin-3C in complex with lactose
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Manzoni, F, Coates, L, Blakeley, M.P, Oksanen, E, Logan, D.T.
Deposit date:2017-11-13
Release date:2018-09-12
Last modified:2020-07-29
Method:NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
Cite: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
6F2Q
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BU of 6f2q by Molmil
Neutron crystal structure of perdeuterated galectin-3C in the ligand-free form
Descriptor: Galectin-3
Authors:Manzoni, F, Blakeley, M.P, Oksanen, E, Logan, D.T.
Deposit date:2017-11-27
Release date:2018-05-02
Last modified:2018-06-06
Method:NEUTRON DIFFRACTION (1.03 Å), X-RAY DIFFRACTION
Cite: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
4PVN
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BU of 4pvn by Molmil
Neutron structure of human transthyretin (TTR) at room temperature to 2.3A resolution (monochromatic)
Descriptor: Transthyretin
Authors:Fisher, S.J, Blakeley, M.P, Haupt, M, Mason, S.A, Cooper, J.B, Mitchell, E.P, Forsyth, V.T.
Deposit date:2014-03-18
Release date:2014-11-12
Last modified:2024-03-20
Method:NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION
Cite:Binding site asymmetry in human transthyretin: insights from a joint neutron and X-ray crystallographic analysis using perdeuterated protein
IUCrJ, 1, 2014
4QX5
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BU of 4qx5 by Molmil
Neutron diffraction reveals hydrogen bonds critical for cGMP-selective activation: Insights for PKG agonist design
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, IODIDE ION, cGMP-dependent protein kinase 1
Authors:Huang, G.Y, Gerlits, O.O, Blakeley, M.P, Sankaran, B, Kovalevsky, A.Y, Kim, C.
Deposit date:2014-07-18
Release date:2014-11-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.318 Å)
Cite:Neutron Diffraction Reveals Hydrogen Bonds Critical for cGMP-Selective Activation: Insights for cGMP-Dependent Protein Kinase Agonist Design.
Biochemistry, 53, 2014
3RZ6
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BU of 3rz6 by Molmil
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
3RZT
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BU of 3rzt by Molmil
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
3RYG
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BU of 3ryg by Molmil
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
3SS2
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BU of 3ss2 by Molmil
Neutron structure of perdeuterated rubredoxin using 48 hours 3rd pass data
Descriptor: FE (III) ION, Rubredoxin
Authors:Munshi, P, Chung, C.-L, Blakeley, M.P, Weiss, K.L, Myles, D.A.A, Meilleur, F.
Deposit date:2011-07-07
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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