High-throughput crystallography for lead discovery in drug design

TL Blundell, H Jhoti, C Abell - Nature Reviews Drug Discovery, 2002 - nature.com
Abstract Knowledge of the three-dimensional structures of protein targets now emerging
from genomic data has the potential to accelerate drug discovery greatly. X-ray …

Evolution of the thyroid hormone-binding protein, transthyretin

DM Power, NP Elias, SJ Richardson, J Mendes… - General and …, 2000 - Elsevier
Transthyretin (TTR) belongs to a group of proteins, which includes thyroxine-binding
globulin and albumin, that bind to and transport thyroid hormones in the blood. TTR is also …

FUGUE: sequence-structure homology recognition using environment-specific substitution tables and structure-dependent gap penalties

J Shi, TL Blundell, K Mizuguchi - Journal of molecular biology, 2001 - Elsevier
FUGUE, a program for recognizing distant homologues by sequence-structure comparison
(http://www-cryst. bioc. cam. ac. uk/fugue/), has three key features.(1) Improved environment …

Comparative modeling of GABAA receptors: limits, insights, future developments

M Ernst, D Brauchart, S Boresch, W Sieghart - Neuroscience, 2003 - Elsevier
GABAA receptors are chloride ion channels that mediate fast synaptic transmission and
belong to a superfamily of pentameric ligand-gated ion channels. The recently published …

Plant-based heterologous expression of Mal d 2, a thaumatin-like protein and allergen of apple (Malus domestica), and its characterization as an antifungal protein

M Krebitz, B Wagner, F Ferreira, C Peterbauer… - Journal of molecular …, 2003 - Elsevier
Mal d 2 is a thaumatin-like protein and important allergen of apple fruits that is associated
with IgE-mediated symptoms in apple allergic individuals. We obtained a full-length cDNA …

A new progressive-iterative algorithm for multiple structure alignment

D Lupyan, A Leo-Macias, AR Ortiz - Bioinformatics, 2005 - academic.oup.com
Motivation: Multiple structure alignments are becoming important tools in many aspects of
structural bioinformatics. The current explosion in the number of available protein structures …

Homology models of the cannabinoid CB1 and CB2 receptors. A docking analysis study

C Montero, NE Campillo, P Goya, JA Páez - European journal of medicinal …, 2005 - Elsevier
The 3D models of both CB1 and CB2 human receptors have been established by homology
modeling using as template the X-ray structure of bovine Rhodopsin (code pdb: 1F88) a G …

MEDELLER: homology-based coordinate generation for membrane proteins

S Kelm, J Shi, CM Deane - Bioinformatics, 2010 - academic.oup.com
Abstract Motivation: Membrane proteins (MPs) are important drug targets but knowledge of
their exact structure is limited to relatively few examples. Existing homology-based structure …

l‐Threonine aldolase, serine hydroxymethyltransferase and fungal alanine racemase: A subgroup of strictly related enzymes specialized for different functions

R Contestabile, A Paiardini… - European Journal of …, 2001 - Wiley Online Library
Serine hydroxymethyltransferase (SHMT) is a member of the fold type I family of vitamin B6‐
dependent enzymes, a group of evolutionarily related proteins that share the same overall …

C-di-GMP Hydrolysis by Pseudomonas aeruginosa HD-GYP Phosphodiesterases: Analysis of the Reaction Mechanism and Novel Roles for pGpG

V Stelitano, G Giardina, A Paiardini, N Castiglione… - PLoS …, 2013 - journals.plos.org
In biofilms, the bacterial community optimizes the strategies to sense the environment and to
communicate from cell to cell. A key player in the development of a bacterial biofilm is the …