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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
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
5AI2
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BU of 5ai2 by Molmil
Anomalous Neutron phased crystal structure of 113Cd-substituted Perdeuterated Pyrococcus furiosus rubredoxin to 1.75A resolution at 295K
Descriptor: CADMIUM ION, RUBREDOXIN, deuterium(1+)
Authors:Cuypers, M.G, Mossou, E, Mason, S.A.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2016-08-24
Method:NEUTRON DIFFRACTION (1.75 Å)
Cite:Macromolecular Structure Phasing by Neutron Anomalous Diffraction.
Sci.Rep., 6, 2016
4AR3
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BU of 4ar3 by Molmil
Near-atomic resolution neutron crystallography on the oxidised form perdeuterated Pyrococcus furiosus rubredoxin.
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:2021-06-09
Method:NEUTRON DIFFRACTION (1.05 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
4AR4
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BU of 4ar4 by Molmil
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
4AR6
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BU of 4ar6 by Molmil
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:2013-01-30
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
4AR5
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BU of 4ar5 by Molmil
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:2013-01-30
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
4PVM
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BU of 4pvm by Molmil
Neutron structure of human transthyretin (TTR) at room temperature to 2.0A resolution (Laue)
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 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
4PVL
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BU of 4pvl by Molmil
X-ray structure of human transthyretin (TTR) at room temperature to 1.9A resolution
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:2023-11-08
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Binding site asymmetry in human transthyretin: insights from a joint neutron and X-ray crystallographic analysis using perdeuterated protein
IUCrJ, 1, 2014
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
3QYS
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BU of 3qys by Molmil
Room Temperature X-ray Structure of D-Xylose Isomerase in complex with 0.6Ni2+ cation bound in M2 metal binding site at pH=5.8
Descriptor: NICKEL (II) ION, Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2011-03-03
Release date:2011-08-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of the Elusive Hydronium Ion Exchanging Roles with a Proton in an Enzyme at Lower pH Values.
Angew.Chem.Int.Ed.Engl., 50, 2011
3QZA
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BU of 3qza by Molmil
Joint neutron and X-ray structure of apo-D-Xylose Isomerase at pH=5.9
Descriptor: Xylose isomerase, deuterium(1+)
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2011-03-04
Release date:2011-08-17
Last modified:2023-09-13
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite:Identification of the Elusive Hydronium Ion Exchanging Roles with a Proton in an Enzyme at Lower pH Values.
Angew.Chem.Int.Ed.Engl., 50, 2011
5AI3
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BU of 5ai3 by Molmil
X-ray structure of 113Cd-substituted Perdeuterated Pyrococcus furiosus rubredoxin to 1.02A resolution at 295K in a quartz capillary
Descriptor: CADMIUM ION, RUBREDOXIN
Authors:Cuypers, M.G, Mitchell, E.P.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2016-08-24
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Macromolecular Structure Phasing by Neutron Anomalous Diffraction.
Sci.Rep., 6, 2016
3KBS
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BU of 3kbs by Molmil
Room Temperature X-ray structure of D-Xylose Isomerase in complex with 2Cd(2+) co-factors
Descriptor: CADMIUM ION, Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KBV
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BU of 3kbv by Molmil
Room temperature structure of D-Xylose Isomerase in complex with 2Ni(2+) co-factors
Descriptor: NICKEL (II) ION, Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KBM
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BU of 3kbm by Molmil
Room Temperature X-ray structure of D-Xylose Isomerase complexed with 2Cd(2+) co-factors and d12-D-alpha-glucose in the cyclic form
Descriptor: CADMIUM ION, Xylose isomerase, alpha-D-glucopyranose
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KCJ
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BU of 3kcj by Molmil
Room temperature neutron structure of apo-D-Xylose Isomerase (refined jointly with X-ray structure 3KBJ)
Descriptor: Xylose isomerase
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2009-10-21
Release date:2010-09-29
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
Cite:Identification of the Elusive Hydronium Ion Exchanging Roles with a Proton in an Enzyme at Lower pH Values
Angew.Chem.Int.Ed.Engl., 50, 2011
3KBW
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BU of 3kbw by Molmil
Room temperature X-ray mixed-metal structure of D-Xylose Isomerase in complex with Ni(2+) and Mg(2+) co-factors
Descriptor: MAGNESIUM ION, NICKEL (II) ION, Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KCL
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BU of 3kcl by Molmil
Room temperature neutron structure of D-Xylose Isomerase in complex with two Cd2+ cations and d12-D-alpha-glucose in the ring form (refined jointly with X-ray structure 3KBM)
Descriptor: CADMIUM ION, Xylose isomerase, alpha-D-glucopyranose
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2009-10-21
Release date:2010-06-16
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KBJ
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BU of 3kbj by Molmil
Room temperature X-ray structure of apo-D-Xylose Isomerase
Descriptor: Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of the Elusive Hydronium Ion Exchanging Roles with a Proton in an Enzyme at Lower pH Values.
Angew.Chem.Int.Ed.Engl., 50, 2011
3KCO
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BU of 3kco by Molmil
Room temperature neutron structure of D-Xylose Isomerase in complex with two Ni2+ cations and d12-D-glucose in the linear form (refined jointly with X-ray structure 3KBN)
Descriptor: D-glucose, NICKEL (II) ION, Xylose isomerase
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2009-10-21
Release date:2010-06-16
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KBN
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BU of 3kbn by Molmil
Room temperature structure of D-Xylose Isomerase in complex with 2Ni(2+) co-factors and d12-D-glucose in the linear form
Descriptor: D-glucose, NICKEL (II) ION, Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
4DUO
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BU of 4duo by Molmil
Room-temperature X-ray structure of D-Xylose Isomerase in complex with 2Mg2+ ions and xylitol at pH 7.7
Descriptor: MAGNESIUM ION, Xylitol, Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2012-02-22
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of D-xylose isomerase by polyols: atomic details by joint X-ray/neutron crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
4DVO
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BU of 4dvo by Molmil
Room-temperature joint X-ray/neutron structure of D-xylose isomerase in complex with 2Ni2+ and per-deuterated D-sorbitol at pH 5.9
Descriptor: NICKEL (II) ION, Xylose isomerase, sorbitol
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2012-02-23
Release date:2012-08-29
Last modified:2024-02-28
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite:Inhibition of D-xylose isomerase by polyols: atomic details by joint X-ray/neutron crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
4QEE
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BU of 4qee by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Ni2+ ions and L-ribose
Descriptor: NICKEL (II) ION, Xylose isomerase, alpha-L-ribofuranose
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2014-05-15
Release date:2014-09-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014

 

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