Search Results - "BRÜNGER, A. T"

Crystallography & NMR System: A New Software Suite for Macromolecular Structure Determination by Brünger, Axel T., Adams, Paul D., Clore, G. Marius, DeLano, Warren L., Gros, Piet, Grosse-Kunstleve, Ralf W., Jiang, Jian-Sheng, Kuszewski, John, Nilges, Michael, Pannu, Navraj S., Read, Randy J., Rice, Luke M., Simonson, Thomas, Warren, Gregory L.

“…A new software suite, called Crystallography & NMR System (CNS), has been developed for macromolecular structure determination by X‐ray crystallography or…”
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Direct Observation of Protein Solvation and Discrete Disorder with Experimental Crystallographic Phases by Burling, F. Temple, Weis, William I., Flaherty, Kevin M., Brünger, Axel T.

“…A complete and accurate set of experimental crystallographic phases to a resolution of 1.8 angstroms was obtained for a 230-residue dimeric fragment of rat…”
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Chromophore-Protein Interactions and the Function of the Photosynthetic Reaction Center: A Molecular Dynamics Study by Treutlein, H., Schulten, K., Brunger, A. T., Karplus, M., Deisenhofer, J., Michel, H.

“…The coupling between electron transfer and protein structure and dynamics in the photosynthetic reaction center of Rhodopseudomonas viridis is investigated…”
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Highly specific interactions between botulinum neurotoxins and synaptic vesicle proteins by Brunger, A. T, Jin, R, Breidenbach, M. A

“…Despite its extreme toxicity, botulinum neurotoxin is widely utilized in low doses as a treatment for several neurological disorders; higher doses cause the…”
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Three-Dimensional Structure of Proteins Determined by Molecular Dynamics with Interproton Distance Restraints: Application to Crambin by Brünger, Axel T., Clore, G. Marius, Gronenborn, Angela M., Karplus, Martin

“…Model calculations are performed to evaluate the utility of molecular dynamics with NMR interproton distance restraints for determining the three-dimensional…”
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A Revised Model for the Oligomeric State of the N-Ethylmaleimide-sensitive Fusion Protein, NSF by Fleming, K G, Hohl, T M, Yu, R C, Müller, S A, Wolpensinger, B, Engel, A, Engelhardt, H, Brünger, A T, Söllner, T H, Hanson, P I

“…The N -ethylmaleimide-sensitive fusion protein (NSF) is an ATPase that plays an essential role in intracellular membrane trafficking. Previous reports have…”
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Assessing the Quality of Solution Nuclear Magnetic Resonance Structures by Complete Cross-Validation by Brünger, Axel T., Clore, G. Marius, Gronenborn, Angela M., Saffrich, Rainer, Nilges, Michael

“…Structure determination of macromolecules in solution by nuclear magnetic resonance (NMR) spectroscopy involves the fitting of atomic models to the observed…”
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2.9 A resolution structure of an anti-dinitrophenyl-spin-label monoclonal antibody Fab fragment with bound hapten by Brünger, A T, Leahy, D J, Hynes, T R, Fox, R O

“…The crystal structure of the Fab fragment of the murine monoclonal anti-dinitrophenyl-spin-label antibody AN02 complexed with its hapten has been solved at 2.9…”
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Three-dimensional structure of an angiotensin II-fab complex at 3 Å : hormone recognition by an anti-idiotypic antibody by GARCIA, K. C, RONCO, P. M, VERROUST, P. J, BRÜNGER, A. T, MARIO AMZEL, L

“…The elucidation of bioactive conformations of small peptide hormones remains an elusive goal to structural chemists because of the inherent flexibility of…”
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Are there dominant membrane protein families with a given number of helices? by Arkin, Isaiah T., Brünger, Axel T., Engelman, Donald M.

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Active Site Dynamics of Ribonuclease by Brunger, Axel T., Brooks, Charles L., Karplus, Martin

“…The stochastic boundary molecular dynamics method is used to study the structure, dynamics, and energetics of the solvated active site of bovine pancreatic…”
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Refinement of the influenza virus hemagglutinin by simulated annealing by Weis, W I, Brünger, A T, Skehel, J J, Wiley, D C

“…We have applied the method of simulated annealing to the refinement of the 3 A resolution crystal structure of the influenza virus hemagglutinin glycoprotein,…”
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Relaxation matrix refinement of the solution structure of squash trypsin inhibitor by Nilges, M, Habazettl, J, Brünger, A T, Holak, T A

“…The structure of the small squash trypsin inhibitor CMTI-I is refined by directly minimizing the difference between the observed two-dimensional nuclear…”
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Free R value: a novel statistical quantity for assessing the accuracy of crystal structures by Brunger, Axel T

“…The determination of macromolecular structure by crystallography involves fitting atomic models to the observed diffraction data. The traditional measure of…”
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Cross-Validated Maximum Likelihood Enhances Crystallographic Simulated Annealing Refinement by Adams, Paul D., Pannu, Navraj S., Read, Randy J., Brünger, Axel T.

“…Recently, the target function for crystallographic refinement has been improved through a maximum likelihood analysis, which makes proper allowance for the…”
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Checking your imagination: applications of the free R value by Kleywegt, Gerard J, Brünger, Axel T

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Helicity, membrane incorporation, orientation and thermal stability of the large conductance mechanosensitive ion channel from E. coli by Arkin, Isaiah T., Sukharev, Sergei I., Blount, Paul, Kung, Ching, Brünger, Axel T.

“…In this report, we present structural studies on the large conductance mechanosensitive ion channel (MscL) from E. coli in detergent micelles and lipid…”
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Structural Changes Are Associated with Soluble N-Ethylmaleimide-sensitive Fusion Protein Attachment Protein Receptor Complex Formation by Fasshauer, Dirk, Otto, Henning, Eliason, William K., Jahn, Reinhard, Brünger, Axel T.

“…SNAP-25, syntaxin, and synaptobrevin play a key role in the regulated exocytosis of synaptic vesicles, but their mechanism of action is not understood. In…”
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Torsion angle dynamics: reduced variable conformational sampling enhances crystallographic structure refinement by Rice, L M, Brünger, A T

“…A reduced variable conformational sampling strategy for macromolecules based on molecular dynamics in torsion angle space is evaluated using crystallographic…”
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Structural insights into the molecular mechanism of calcium-dependent vesicle–membrane fusion by Brunger, Axel T

“…The fusion of vesicles with target membranes is controlled by a complex network of protein–protein and protein–lipid interactions. Recently determined…”
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