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4NY6
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BU of 4ny6 by Molmil
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
3QF6
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BU of 3qf6 by Molmil
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
6FFT
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BU of 6fft by Molmil
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
6S3F
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BU of 6s3f by Molmil
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
3K2S
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BU of 3k2s by Molmil
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
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
2PLL
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BU of 2pll by Molmil
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
7P6M
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BU of 7p6m by Molmil
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
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
5NW3
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BU of 5nw3 by Molmil
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
5OME
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BU of 5ome by Molmil
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
4CE8
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BU of 4ce8 by Molmil
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
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
5CM1
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BU of 5cm1 by Molmil
X-ray structure of perdeuterated TTR mutant - T119M at 1.22A
Descriptor: Transthyretin
Authors:Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T.
Deposit date:2015-07-16
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:X-ray structure of perdeuterated TTR mutant - T119M at 1.22A
To Be Published
5CLX
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BU of 5clx by Molmil
X-ray structure of perdeuterated TTR mutant - S52P at 1.28A resolution
Descriptor: GLYCEROL, Transthyretin
Authors:Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T.
Deposit date:2015-07-16
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:X-ray structure of perdeuterated TTR mutant - S52P at 1.28A resolution
To Be Published
5CLY
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BU of 5cly by Molmil
X-ray structure of TTR mutant - S52P at 1.23A resolution
Descriptor: GLYCEROL, Transthyretin
Authors:Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T.
Deposit date:2015-07-16
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:X-ray structure of TTR mutant - S52P at 1.23A resolution
To Be Published
5CNH
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BU of 5cnh by Molmil
X-ray structure of perdeuterated wild-type TTR at 1.42A resolution
Descriptor: Transthyretin
Authors:Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T.
Deposit date:2015-07-17
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Impact of Deuteration on the Assembly Kinetics of Transthyretin Monitored by Native Mass Spectrometry and Implications for Amyloidoses.
Angew.Chem.Int.Ed.Engl., 55, 2016
5CLZ
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BU of 5clz by Molmil
X-ray structure of TTR mutant - T119M at 1.22A resolution
Descriptor: Transthyretin
Authors:Yee, A.W, Moulin, M, Mossou, E, Cooper, J.B, Haertlein, M, Mitchell, E.P, Forsyth, V.T.
Deposit date:2015-07-16
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:X-ray structure of TTR mutant - T119M at 1.22A resolution
To Be Published
5CN3
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BU of 5cn3 by Molmil
X-ray structure of wild-type TTR at 1.30A resolution
Descriptor: Transthyretin
Authors:Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T.
Deposit date:2015-07-17
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Impact of Deuteration on the Assembly Kinetics of Transthyretin Monitored by Native Mass Spectrometry and Implications for Amyloidoses.
Angew.Chem.Int.Ed.Engl., 55, 2016
2XGT
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BU of 2xgt by Molmil
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
2XTI
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BU of 2xti by Molmil
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
7B7C
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BU of 7b7c by Molmil
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
7B7F
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BU of 7b7f by Molmil
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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