De novo design of the hydrophobic cores of proteinsProtein Science - Tập 4 Số 10 - Trang 2006-2018 - 1995
John R. Desjarlais, Tracy M. Handel
AbstractWe have developed and experimentally tested a novel computational approach for the de novo design of hydrophobic cores. A pair of computer programs has been written, the first of which creates a “custom” rotamer library for potential hydrophobic residues, based on the backbone structure of the protein of interest. The second program uses a genetic algorithm...... hiện toàn bộ
Estimation of the number of α‐helical and β‐strand segments in proteins using circular dichroism spectroscopyProtein Science - Tập 8 Số 2 - Trang 370-380 - 1999
Narasimha Sreerama, S.Yu. Venyaminov, Robert W. Woody
AbstractA simple approach to estimate the number of α‐helical and β‐strand segments from protein circular dichroism spectra is described. The α‐helix and β‐sheet conformations in globular protein structures, assigned by DSSP and STRIDE algorithms, were divided into regular and distorted fractions by considering a certain number of terminal residues in a given α‐hel...... hiện toàn bộ
Outer membrane protein A of E. coli folds into detergent micelles, but not in the presence of monomeric detergentProtein Science - Tập 8 Số 10 - Trang 2065-2071 - 1999
Jörg H. Kleinschmidt, Michael C. Wiener, Lukas K. Tamm
AbstractOuter membrane protein A (OmpA) of Escherichia coli is a β‐barrel membrane protein that unfolds in 8 M urea to a random coil. OmpA refolds upon urea dilution in the presence of certain detergents or lipids. To examine the minimal requirements for secondary and tertiary structure formation in β‐barrel membrane proteins, folding of ...... hiện toàn bộ
Motifs and structural fold of the cofactor binding site of human glutamate decarboxylaseProtein Science - Tập 7 Số 5 - Trang 1092-1105 - 1998
Kunbin Qu, David L. Martin, Charles E. Lawrence
AbstractThe pyridoxal‐P binding sites of the two isoforms of human glutamate decarboxylase (GAD65 and GAD67) were modeled by using PROBE (a recently developed algorithm for multiple sequence alignment and database searching) to align the primary sequence of GAD with pyridoxal‐P binding proteins of known structure. GAD's cofactor binding site is particularly interes...... hiện toàn bộ
The structure of a glycogen phosphorylase glucopyranose spirohydantoin complex at 1.8 Å resolution and 100 K: The role of the water structure and its contribution to bindingProtein Science - Tập 7 Số 4 - Trang 915-927 - 1998
Mary Gregoriou, M.E.M. Noble, Kimberly A. Watson, Elspeth F. Garman, Thomas M. Krülle, C. de la Fuente, M. Carmen de la Fuente, N G Oikonomakos, L.N. Johnson
AbstractA glucopyranose spirohydantoin (a pyranose analogue of the potent herbicide, hydantocidin) has been identified as the highest affinity glucose analogue inhibitor of glycogen phosphorylase b (GPb). In order to elucidate the structural features that contribute to the binding, the structures of GPb in the native T state conformation and in complex with glucopy...... hiện toàn bộ