Author results

1XQN
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THE 15K NEUTRON STRUCTURE OF SACCHARIDE-FREE CONCANAVALIN A
Descriptor:Concanavalin A, MANGANESE (II) ION, CALCIUM 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:2018-03-07
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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PERDEUTERATED ALR2 IN COMPLEX WITH IDD594
Descriptor:Aldose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 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:2012-02-29
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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HUMAN ALDOSE REDUCTASE STRUCTURE
Descriptor:Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, IDD594
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:2018-04-25
Method:X-RAY DIFFRACTION (1.752 Å), NEUTRON 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
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ATOMIC RESOLUTION STRUCTURE OF NITRITE BOUND STATE OF THE ACHROMOBACTER CYCLOCLASTES CU NITRITE REDUCTASE AT 0.87 A RESOLUTION
Descriptor:COPPER-CONTAINING NITRITE REDUCTASE, COPPER (II) ION, ACETATE ION, ...
Authors:Blakeley, M.P., Hasnain, S.S., Antonyuk, S.V.
Deposit date:2015-03-05
Release date:2015-07-08
Last modified:2015-07-29
Method:X-RAY DIFFRACTION (0.87 Å)
Cite:Sub-Atomic Resolution X-Ray Crystallography and Neutron Crystallography: Promise, Challenges and Potential.
Iucrj, 2, 2015
3R98
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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:2018-05-16
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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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:2018-05-16
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
4N9M
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JOINT NEUTRON/X-RAY STRUCTURE OF URATE OXIDASE IN COMPLEX WITH 8-HYDROXYXANTHINE
Descriptor:Uricase, 8-hydroxy-3,9-dihydro-1H-purine-2,6-dione, CHLORIDE 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
4N9V
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HIGH RESOLUTION X-RAY STRUCTURE OF URATE OXIDASE IN COMPLEX WITH 8-AZAXANTHINE
Descriptor:Uricase, 8-AZAXANTHINE, SODIUM ION, ...
Authors:Oksanen, E., Blakeley, M.P., Budayova-Spano, M.
Deposit date:2013-10-21
Release date:2014-02-05
Last modified:2014-02-26
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
6EYM
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NEUTRON CRYSTAL STRUCTURE OF PERDEUTERATED GALECTIN-3C IN COMPLEX WITH LACTOSE
Descriptor:Galectin-3, BETA-LACTOSE
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:2018-12-12
Method:X-RAY DIFFRACTION (1.7 Å), NEUTRON 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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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:X-RAY DIFFRACTION (1.03 Å), NEUTRON 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
2UU8
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X-RAY STRUCTURE OF NI, CA CONCANAVALIN A AT ULTRA-HIGH RESOLUTION (0. 94A)
Descriptor:CONCANAVALIN, NICKEL (II) ION, CALCIUM ION
Authors:Ahmed, H.U., Blakeley, M.P., Cianci, M., Cruickshank, D.W.J., Hubbard, J.A., Helliwell, J.R.
Deposit date:2007-03-01
Release date:2007-07-31
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:The Determination of Protonation States in Proteins.
Acta Crystallogr.,Sect.D, 63, 2007
2UUF
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THROMBIN-HIRUGEN BINARY COMPLEX AT 1.26A RESOLUTION
Descriptor:HUMAN ALPHA THROMBIN, THROMBIN, HIRUDIN I, ...
Authors:Ahmed, H.U., Blakeley, M.P., Cianci, M., Cruickshank, D.W.J., Hubbard, J.A., Helliwell, J.R.
Deposit date:2007-03-02
Release date:2007-09-04
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:The Determination of Protonation States in Proteins.
Acta Crystallogr.,Sect.D, 63, 2007
2UUJ
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THROMBIN-HIRUGEN-GW473178 TERNARY COMPLEX AT 1.32A RESOLUTION
Descriptor:HUMAN ALPHA THROMBIN, PROTHROMBIN, HIRUDIN I, ...
Authors:Ahmed, H.U., Blakeley, M.P., Cianci, M., Cruickshank, D.W.J., Hubbard, J.A., Helliwell, J.R.
Deposit date:2007-03-03
Release date:2007-09-04
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:The Determination of Protonation States in Proteins.
Acta Crystallogr.,Sect.D, 63, 2007
2UUK
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THROMBIN-HIRUGEN-GW420128 TERNARY COMPLEX AT 1.39A RESOLUTION
Descriptor:HUMAN ALPHA THROMBIN, THROMBIN, HIRUDIN I, ...
Authors:Ahmed, H.U., Blakeley, M.P., Cianci, M., Cruickshank, D.W.J., Hubbard, J.A., Helliwell, J.R.
Deposit date:2007-03-03
Release date:2007-09-04
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:The Determination of Protonation States in Proteins.
Acta Crystallogr.,Sect.D, 63, 2007
2WYX
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NEUTRON STRUCTURE OF A CLASS A BETA-LACTAMASE TOHO-1 E166A R274N R276N TRIPLE MUTANT
Descriptor:BETA-LACTAMSE TOHO-1
Authors:Tomanicek, S.J., Blakeley, M.P., Cooper, J., Chen, Y., Afonine, P., Coates, L.
Deposit date:2009-11-20
Release date:2010-01-12
Last modified:2018-05-09
Method:NEUTRON DIFFRACTION (2.1 Å)
Cite:Neutron Diffraction Studies of a Class a Beta-Lactamase Toho-1 E166A R274N R276N Triple Mutant
J.Mol.Biol., 396, 2010
2XQZ
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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:2018-01-31
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
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ROOM TEMPERATURE X-RAY STRUCTURE OF THE PERDEUTERATED TOHO-1 R274N R276N DOUBLE MUTANT BETA-LACTAMASE
Descriptor:TOHO-1 BETA-LACTAMASE, SULFATE ION
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:2011-07-13
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
2YZ4
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THE NEUTRON STRUCTURE OF CONCANAVALIN A AT 2.2 ANGSTROMS
Descriptor:Concanavalin A, MANGANESE (II) ION, CALCIUM 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:2017-10-11
Method:NEUTRON DIFFRACTION (2.2 Å)
Cite:The determination of protonation states in proteins.
Acta Crystallogr.,Sect.D, 63, 2007
3Q3L
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THE NEUTRON CRYSTALLOGRAPHIC STRUCTURE OF INORGANIC PYROPHOSPHATASE FROM THERMOCOCCUS THIOREDUCENS
Descriptor:Tt-IPPase, CALCIUM ION
Authors:Hughes, R.C., Coates, L., Blakeley, M.P., Tomanicek, S.J., Meehan, E.J., Garcia-Ruiz, J.M., Ng, J.D.
Deposit date:2010-12-22
Release date:2012-02-08
Last modified:2018-04-25
Method:NEUTRON DIFFRACTION (2.5 Å)
Cite:Inorganic pyrophosphatase crystals from Thermococcus thioreducens for X-ray and neutron diffraction.
Acta Crystallogr.,Sect.F, 68, 2012
3QF6
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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:2018-03-28
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
3RYG
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128 HOURS NEUTRON STRUCTURE OF PERDEUTERATED RUBREDOXIN
Descriptor:Rubredoxin, FE (III) ION
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:2018-01-24
Method:NEUTRON DIFFRACTION (1.75 Å)
Cite:Rapid visualization of hydrogen positions in protein neutron crystallographic structures.
Acta Crystallogr.,Sect.D, 68, 2012
3RZ6
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NEUTRON STRUCTURE OF PERDEUTERATED RUBREDOXIN USING 40 HOURS 1ST PASS DATA
Descriptor:Rubredoxin, FE (III) ION
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:2018-01-24
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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NEUTRON STRUCTURE OF PERDEUTERATED RUBREDOXIN USING RAPID (14 HOURS) DATA
Descriptor:Rubredoxin, FE (III) ION
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:2018-01-24
Method:NEUTRON DIFFRACTION (1.7504 Å)
Cite:Rapid visualization of hydrogen positions in protein neutron crystallographic structures.
Acta Crystallogr.,Sect.D, 68, 2012
3SS2
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NEUTRON STRUCTURE OF PERDEUTERATED RUBREDOXIN USING 48 HOURS 3RD PASS DATA
Descriptor:Rubredoxin, FE (III) ION
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:2018-04-25
Method:NEUTRON DIFFRACTION (1.75 Å)
Cite:Rapid visualization of hydrogen positions in protein neutron crystallographic structures.
Acta Crystallogr.,Sect.D, 68, 2012
3UNR
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BOND LENGTH ANALYSIS OF ASP, GLU AND HIS RESIDUES IN TRYPSIN AT 1.2A RESOLUTION
Descriptor:Cationic trypsin, GLYCEROL, SULFATE ION, ...
Authors:Fisher, S.J., Helliwell, J.R., Blakeley, M.P., Cianci, M., McSweeny, S.
Deposit date:2011-11-16
Release date:2012-06-27
Last modified:2013-01-23
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.,Sect.D, 68, 2012