Search Results - "Mathiowetz, A M"

De novo prediction of polypeptide conformations using dihedral probability grid Monte Carlo methodology by Evans, John Spencer, Chan, Sunney I., Mathiowetz, Alan M., Goddard, William A.

“…We tested the dihedral probability grid Monte Carlo (DPG‐MC) methodology to determine optimal conformations of polypeptides by applying it to predict the low…”
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Building proteins from Cα coordinates using the dihedral probability grid Monte Carlo method by Mathiowetz, Alan M., Goddard, William A.

“…Dihedral probability grid Monte Carlo (DPG‐MC) is a general‐purpose method of conformational sampling that can be applied to many problems in peptide and…”
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Probing the role of arginines and histidines in the catalytic function and activation of yeast 3-phosphoglycerate kinase by site-directed mutagenesis by Sherman, M.A. (Beckman Research Institute of the City of Hope, Duarte, CA), Szpikowska, B.K, Dean, S.A, Mathiowetz, A.M, McQueen, N.L, Mas, M.T

“…A cluster of conserved histidines and arginines (His-62, His-167, Arg-21, Arg-38, and Arg-168) in 3-phosphoglycerate kinase (PGK) has been implicated as…”
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Predictions of Structural Elements for the Binding of Hin Recombinase with the hix Site of DNA by Plaxco, Kevin W., Mathiowetz, Alan M., Goddard, William A.

“…Molecular dynamics simulations were coupled with experimental data from biochemistry and genetics to generate a theoretical structure for the binding domain of…”
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Site-directed mutations of arginine 65 at the periphery of the active site cleft of yeast 3-phosphoglycerate kinase enhance the catalytic activity and eliminate anion-dependent activation by Sherman, M A, Dean, S A, Mathiowetz, A M, Mas, M T

“…The function of arginine 65, a conserved residue located at the periphery of the active site cleft in yeast 3-phosphoglycerate kinase (PGK), has been…”
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Inhibition of Matrix Metalloproteinases by Hydroxamates Containing Heteroatom-Based Modifications of the P1' Group by Gowravaram, Madhusudhan R, Johnson, Jeffrey S, Delecki, Daniel, Cook, Ewell R, Tomczuk, Bruce E, Ghose, Arup K, Mathiowetz, Alan M, Spurlino, John C, Rubin, Byron, Smith, Douglas L, Pulvino, Tricia, Wahl, Robert C

“…In this study, structure-based drug design of matrix metalloproteinase inhibitors [human fibroblast collagenase (HFC), human fibroblast stromelysin (HFS), and…”
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Allosteric inhibition of fructose-1,6-bisphosphatase by anilinoquinazolines by Wright, Stephen W, Hageman, David L, McClure, Lester D, Carlo, Anthony A, Treadway, Judith L, Mathiowetz, Alan M, Withka, Jane M, Bauer, Paul H

“…Anilinoquinazolines currently of interest as inhibitors of tyrosine kinases have been found to be allosteric inhibitors of the enzyme fructose…”
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Protein simulations using techniques suitable for very large systems: the cell multipole method for nonbond interactions and the Newton-Euler inverse mass operator method for internal coordinate dynamics by Mathiowetz, A M, Jain, A, Karasawa, N, Goddard, 3rd, W A

“…Two new methods developed for molecular dynamics simulations of very large proteins are applied to a series of proteins ranging up to the protein capsid of…”
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Assignments and structure determination of the catalytic domain of human fibroblast collagenase using 3D double and triple resonance NMR spectroscopy by McCoy, M A, Dellwo, M J, Schneider, D M, Banks, T M, Falvo, J, Vavra, K J, Mathiowetz, A M, Qoronfleh, M W, Ciccarelli, R, Cook, E R, Pulvino, T A, Wahl, R C, Wang, H

“…We report here the backbone 1HN, 15N, 13C alpha, 13CO, and 1H alpha NMR assignments for the catalytic domain of human fibroblast collagenase (HFC). Three…”
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Human liver glycogen phosphorylase inhibitors bind at a new allosteric site by Rath, Virginia L, Ammirati, Mark, Danley, Dennis E, Ekstrom, Jennifer L, Gibbs, E Michael, Hynes, Thomas R, Mathiowetz, Alan M, McPherson, R Kirk, Olson, Thanh V, Treadway, Judith L, Hoover, Dennis J

“…Background: Glycogen phosphorylases catalyze the breakdown of glycogen to glucose-1-phosphate for glycolysis. Maintaining control of blood glucose levels is…”
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Anilinoquinazoline Inhibitors of Fructose 1,6-Bisphosphatase Bind at a Novel Allosteric Site:  Synthesis, In Vitro Characterization, and X-ray Crystallography by Wright, Stephen W, Carlo, Anthony A, Carty, Maynard D, Danley, Dennis E, Hageman, David L, Karam, George A, Levy, Carolyn B, Mansour, Mahmoud N, Mathiowetz, Alan M, McClure, Lester D, Nestor, McPherson, R. Kirk, Pandit, Jayvardhan, Pustilnik, Leslie R, Schulte, Gayle K, Soeller, Walter C, Treadway, Judith L, Wang, Ing-Kae, Bauer, Paul H

“…The synthesis and in vitro structure−activity relationships (SAR) of a novel series of anilinoquinazolines as allosteric inhibitors of…”
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Achieving selectivity between highly homologous tyrosine kinases: a novel selective erbB2 inhibitor by Bhattacharya, Samit K., Cox, Eric D., Kath, John C., Mathiowetz, Alan M., Morris, Joel, Moyer, James D., Pustilnik, Leslie R., Rafidi, Kris, Richter, Daniel T., Su, Chunyan, Wessel, Matthew D.

“…The discovery of small molecule kinase inhibitors for use as drugs is a promising approach for the treatment of cancer and other diseases, but the discovery of…”
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Hydroxamate inhibitors of human gelatinase B (92 kDa) by Wahl, Robert C., Pulvino, Tricia A., Mathiowetz, Alan M., Ghose, Arup K., Johnson, Jeffrey S., Delecki, Daniel, Cook, Ewell R., Gainor, James A., Gowravaram, Madhusudhan R., Tomczuk, Bruce E.

“…Gelatinase B is potently inhibited by peptide hydroxamates, including molecules that have a R 1′ group which is larger than the side chains of the natural…”
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Hydroxamate inhibitors of the matrix metallo-proteinases (MMPs) containing novel P 1′ heteroatom based modifications by Tomczuk, Bruce E., Gowravaram, Madhusudhan R., Johnson, Jeffrey S., Delecki, Daniel, Cook, Ewell R., Ghose, Arup K., Mathiowetz, Alan M., Spurlino, John C., Rubin, Byron, Smith, Douglas L., Pulvino, Tricia, Wahl, Robert C.

“…Structure-based drug design (SBDD) and traditional SAR have guided the development of potent and selective hydroxamate inhibitors which contain…”
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