Eduardo I. Howard
Eduardo I. Howard
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Ultrahigh resolution drug design I: Details of interactions in human aldose reductase–inhibitor complex at 0.66 Å
EI Howard, R Sanishvili, RE Cachau, A Mitschler, B Chevrier, P Barth, ...
Proteins: Structure, Function, and Bioinformatics 55 (4), 792-804, 2004
Interaction of water with α, α-trehalose in solution: molecular dynamics simulation approach
MC Donnamaria, EI Howard, JR Grigera
Journal of the Chemical Society, Faraday Transactions 90 (18), 2731-2735, 1994
Electrostatic complementarity in an aldose reductase complex from ultra-high-resolution crystallography and first-principles calculations
N Muzet, B Guillot, C Jelsch, E Howard, C Lecomte
Proceedings of the National Academy of Sciences 100 (15), 8742-8747, 2003
Binding of aldose reductase inhibitors: correlation of crystallographic and mass spectrometric studies
H Rogniaux, A Van Dorsselaer, P Barth, JF Biellmann, J Barbanton, ...
Journal of the American Society for Mass Spectrometry 10 (7), 635-647, 1999
The effect of stereochemistry upon carbohydrate hydration. A molecular dynamics simulation of β-d-galactopyranose and (α, β)-d-talopyranose
SA Galema, E Howard, JBFN Engberts, JR Grigera
Carbohydrate research 265 (2), 215-225, 1994
Neutron macromolecular crystallography with LADI-III
MP Blakeley, SCM Teixeira, I Petit-Haertlein, I Hazemann, A Mitschler, ...
Acta Crystallographica Section D: Biological Crystallography 66 (11), 1198-1205, 2010
Neutron structure of type‐III antifreeze protein allows the reconstruction of AFP–ice interface
EI Howard, MP Blakeley, M Haertlein, IP Haertlein, A Mitschler, SJ Fisher, ...
Journal of Molecular Recognition 24 (4), 724-732, 2011
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 …
MC Van Zandt, DL Whitehouse, A Golebiowski, MK Ji, M Zhang, ...
Journal of medicinal chemistry 56 (6), 2568-2580, 2013
Design and synthesis of highly potent and selective (2-arylcarbamoyl-phenoxy)-acetic acid inhibitors of aldose reductase for treatment of chronic diabetic complications
MC Van Zandt, EO Sibley, EE McCann, KJ Combs, B Flam, DR Sawicki, ...
Bioorganic & medicinal chemistry 12 (21), 5661-5675, 2004
Production of crystals of human aldose reductase with very high resolution diffraction
V Lamour, P Barth, H Rogniaux, A Poterszman, E Howard, A Mitschler, ...
Acta Crystallographica Section D: Biological Crystallography 55 (3), 721-723, 1999
Structural Basis of Outstanding Multivalent Effects in Jack Bean α‐Mannosidase Inhibition
E Howard, A Cousido‐Siah, ML Lepage, JP Schneider, A Bodlenner, ...
Angewandte Chemie International Edition 57 (27), 8002-8006, 2018
The structure of human aldose reductase bound to the inhibitor IDD384
V Calderone, B Chevrier, M Van Zandt, V Lamour, E Howard, ...
Acta Crystallographica Section D: Biological Crystallography 56 (5), 536-540, 2000
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 …
EI Howard, B Guillot, MP Blakeley, M Haertlein, M Moulin, A Mitschler, ...
IUCrJ 3 (2), 115-126, 2016
Model of the catalytic mechanism of human aldose reductase based on quantum chemical calculations
R Cachau, E Howard, P Barth, A Mitschler, B Chevrier, V Lamour, ...
Le Journal de Physique IV 10 (PR10), Pr10-3-Pr10-13, 2000
New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM
F Fadel, Y Zhao, R Cachau, A Cousido-Siah, FX Ruiz, K Harlos, ...
Acta Crystallographica Section D: Biological Crystallography 71 (7), 1455-1470, 2015
Post-translational modifications in DNA topoisomerase 2α highlight the role of a eukaryote-specific residue in the ATPase domain
C Bedez, C Lotz, C Batisse, AV Broeck, RH Stote, E Howard, ...
Scientific Reports 8 (1), 9272, 2018
Perdeuteration, purification, crystallization and preliminary neutron diffraction of an ocean pout type III antifreeze protein
I Petit-Haertlein, MP Blakeley, E Howard, I Hazemann, A Mitschler, ...
Acta Crystallographica Section F: Structural Biology and Crystallization …, 2009
A multicopy modeling of the water distribution in macromolecular crystals
AD Podjarny, EI Howard, A Urzhumtsev, JR Grigera
Proteins: Structure, Function, and Bioinformatics 28 (3), 303-312, 1997
Discovery of N-Substituted 3-Amino-4-(3-boronopropyl)pyrrolidine-3-carboxylic Acids as Highly Potent Third-Generation Inhibitors of Human Arginase I and II
MC Van Zandt, GE Jagdmann, DL Whitehouse, M Ji, J Savoy, O Potapova, ...
Journal of medicinal chemistry 62 (17), 8164-8177, 2019
Perdeuteration: Improved visualization of solvent structure in neutron macromolecular crystallography
SJ Fisher, MP Blakeley, EI Howard, I Petit-Haertlein, M Haertlein, ...
Acta Crystallographica Section D: Biological Crystallography 70 (12), 3266-3272, 2014
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