Author results

1US0
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HUMAN ALDOSE REDUCTASE IN COMPLEX WITH NADP+ AND THE INHIBITOR IDD594 AT 0.66 ANGSTROM
Descriptor:ALDOSE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, IDD594, ...
Authors:Howard, E.I., Sanishvili, R., Cachau, R.E., Mitschler, A., Chevrier, B., Barth, P., Lamour, V., Van Zandt, M., Sibley, E., Bon, C., Moras, D., Schneider, T.R., Joachimiak, A., Podjarny, A.
Deposit date:2003-11-16
Release date:2004-05-07
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (0.66 Å)
Cite:Ultrahigh Resolution Drug Design I: Details of Interactions in Human Aldose Reductase-Inhibitor Complex at 0.66 A.
Proteins, 55, 2004
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
5CE4
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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:X-RAY DIFFRACTION (0.98 Å), NEUTRON 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
4NY6
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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:2018-06-13
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
5HR0
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CRYSTAL STRUCTURE OF THIOREDOXIN E101G MUTANT
Descriptor:Thioredoxin, COPPER (II) ION
Authors:Noguera, M.E., Vazquez, D.S., Howard, E.I., Cousido-Siah, A., Mitschler, A., Podjarny, A., Santos, J.
Deposit date:2016-01-22
Release date:2017-02-22
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants.
Sci Rep, 7, 2017
5HR1
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CRYSTAL STRUCTURE OF THIOREDOXIN L107A MUTANT
Descriptor:Thioredoxin-1, COPPER (II) ION
Authors:Noguera, M.E., Vazquez, D.S., Howard, E.I., Cousido-Siah, A., Mitschler, A., Podjarny, A., Santos, J.
Deposit date:2016-01-22
Release date:2017-02-22
Method:X-RAY DIFFRACTION (2.144 Å)
Cite:Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants.
Sci Rep, 7, 2017
5HR2
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CRYSTAL STRUCTURE OF THIOREDOXIN L94A MUTANT
Descriptor:Thioredoxin, COPPER (II) ION
Authors:Noguera, M.E., Vazquez, D.S., Howard, E.I., Cousido-Siah, A., Mitschler, A., Podjarny, A., Santos, J.
Deposit date:2016-01-22
Release date:2017-02-22
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants.
Sci Rep, 7, 2017
5HR3
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CRYSTAL STRUCTURE OF THIOREDOXIN N106A MUTANT
Descriptor:Thioredoxin, COPPER (II) ION, ETHANOL, ...
Authors:Noguera, M.E., Vazquez, D.S., Howard, E.I., Cousido-Siah, A., Mitschler, A., Podjarny, A., Santos, J.
Deposit date:2016-01-22
Release date:2017-02-22
Method:X-RAY DIFFRACTION (1.101 Å)
Cite:Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants.
Sci Rep, 7, 2017
4HWW
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CRYSTAL STRUCTURE OF HUMAN ARGINASE-1 COMPLEXED WITH INHIBITOR 9
Descriptor:Arginase-1, [(5R)-5-amino-5-carboxy-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-), MANGANESE (II) ION
Authors:Cousido-Siah, A., Mitschler, A., Ruiz, F.X., Whitehouse, D.L., Golebiowski, A., Ji, M., Zhang, M., Beckett, P., Sheeler, R., Andreoli, M., Conway, B., Mahboubi, K., Schroeter, H., Van Zandt, M.C., Podjarny, A.
Deposit date:2012-11-09
Release date:2013-03-20
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.298 Å)
Cite:Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury.
J.Med.Chem., 56, 2013
4HXQ
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CRYSTAL STRUCTURE OF HUMAN ARGINASE-1 COMPLEXED WITH INHIBITOR 14
Descriptor:Arginase-1, [(5R)-5-carboxy-5-(methylamino)-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-), MANGANESE (II) ION
Authors:Cousido-Siah, A., Mitschler, A., Ruiz, F.X., Whitehouse, D.L., Golebiowski, A., Ji, M., Zhang, M., Beckett, P., Sheeler, R., Andreoli, M., Conway, B., Mahboubi, K., Schroeter, H., Van Zandt, M.C., Podjarny, A.
Deposit date:2012-11-12
Release date:2013-03-20
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury.
J.Med.Chem., 56, 2013
4HZE
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CRYSTAL STRUCTURE OF HUMAN ARGINASE-2 COMPLEXED WITH INHIBITOR 9
Descriptor:Arginase-2, mitochondrial, MANGANESE (II) ION, ...
Authors:Cousido-Siah, A., Mitschler, A., Ruiz, F.X., Whitehouse, D.L., Golebiowski, A., Ji, M., Zhang, M., Beckett, P., Sheeler, R., Andreoli, M., Conway, B., Mahboubi, K., Schroeter, H., Van Zandt, M.C., Podjarny, A.
Deposit date:2012-11-15
Release date:2013-03-20
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury.
J.Med.Chem., 56, 2013
4I06
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CRYSTAL STRUCTURE OF HUMAN ARGINASE-2 COMPLEXED WITH INHIBITOR 14
Descriptor:Arginase-2, mitochondrial, MANGANESE (II) ION, ...
Authors:Cousido-Siah, A., Mitschler, A., Ruiz, F.X., Whitehouse, D.L., Golebiowski, A., Ji, M., Zhang, M., Beckett, P., Sheeler, R., Andreoli, M., Conway, B., Mahboubi, K., Schroeter, H., Van Zandt, M.C., Podjarny, A.
Deposit date:2012-11-16
Release date:2013-03-20
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury.
J.Med.Chem., 56, 2013