J. Withka

发表

Synthesis of macrocyclic, potential protease inhibitors using a generic scaffold.

John P. Overington, M. Wythes, Estelle Dumez, 2002, The Journal of organic chemistry.

A Thermodynamic Scale for the , & Sheet Forming Tendencies of the Amino Acids

Lynne Regan, Jane M. Withka, L. Regan, 1993 .

A thermodynamic scale for the beta-sheet forming tendencies of the amino acids.

L Regan, L. Regan, Catherine K. Smith, 1994, Biochemistry.

Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists

Li Xing, Guoyun Bai, Atli Thorarensen, 2016, Scientific Reports.

Molecular dynamics of an in vacuo model of duplex d(CGCGAATTCGCG) in the B-form based on the amber 3.0 force field.

J Srinivasan, J. Srinivasan, D. Beveridge, 1990, Biophysical journal.

Discovery and optimization of a novel spiropyrrolidine inhibitor of β-secretase (BACE1) through fragment-based drug design.

M. Mansour, J. Pandit, BinQing Wei, 2012, Journal of medicinal chemistry.

Molecular Dynamics Simulations on the Hydration, Structure and Motions of DNA Oligomers

S. Swaminathan, J. Srinivasan, C. Prévost, 1993 .

Structural basis for AMPK activation: natural and synthetic ligands regulate kinase activity from opposite poles by different molecular mechanisms.

R. Kurumbail, M. Harris, Hong Wang, 2014, Structure.

1 SRT 1720 , SRT 2183 , SRT 1460 , AND RESVERATROL ARE NOT DIRECT ACTIVATORS OF SIRT 1

B. Stockman, A. Varghese, J. Withka, 2010 .

NMR spectroscopy: the swiss army knife of drug discovery

R. Horst, B. L. Kormos, K. Farley, 2020, Journal of Biomolecular NMR.

Biophysical Interactions of Direct AMPK Activators.

Graham M. West, R. Kurumbail, P. Griffin, 2018, Methods in molecular biology.

Design and synthesis of truncated EGF-A peptides that restore LDL-R recycling in the presence of PCSK9 in vitro.

M. Ammirati, D. Craik, David A. Price, 2014, Chemistry & biology.

Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).

J. Pandit, J. Culp, K. Parris, 2017, Journal of medicinal chemistry.

Probing the enzyme kinetics, allosteric modulation and activation of α1- and α2-subunit-containing AMP-activated protein kinase (AMPK) heterotrimeric complexes by pharmacological and physiological activators

R. Kurumbail, L. R. Hoth, P. Sahasrabudhe, 2015, The Biochemical journal.

Optimizing glucokinase activator binding kinetics to lower in vivo hypoglycemia risk

T. Rolph, J. Pfefferkorn, K. Borzilleri, 2014 .

Compensating for Variations in 1H−13C Scalar Coupling Constants in Isotope-Filtered NMR Experiments

A. C. Stuart, A. Palmer, K. Borzilleri, 1999 .

Cyclization of N-terminal S-carbamoylmethylcysteine causing loss of 17 Da from peptides and extra peaks in peptide maps.

J. Boyd, K. Geoghegan, L. R. Hoth, 2002, Journal of proteome research.

Use of high-performance size-exclusion, ion-exchange, and hydrophobic interaction chromatography for the measurement of protein conformational change and stability.

J. Withka, R. Maskiewicz, A. Baziotis, 1987, Journal of chromatography.

Glycomimetic ligands for the human asialoglycoprotein receptor.

David A. Price, M. Finn, J. Pfefferkorn, 2012, Journal of the American Chemical Society.

Molecular features crucial to the activity of pyrimidine benzamide-based thrombopoietin receptor agonists.

F. Dicapua, M. Munchhof, Y. Abramov, 2008, Bioorganic & medicinal chemistry letters.

Effects of the presence of an aldehydic abasic site on the thermal stability and rates of helix opening and closing of duplex DNA.

P. Bolton, J. Withka, I. Goljer, 1992, Biochemistry.

PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.

Roger M. Howard, S. Liras, K. Beaumont, 2020, Journal of medicinal chemistry.

Discovery and Preclinical Characterization of 6-Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic Acid (PF-06409577), a Direct Activator of Adenosine Monophosphate-activated Protein Kinase (AMPK), for the Potential Treatment of Diabetic Nephropathy.

Jessica Ward, Jun Xiao, David Hepworth, 2016, Journal of medicinal chemistry.

SRT1720, SRT2183, SRT1460, and Resveratrol Are Not Direct Activators of SIRT1♦

Venkataraman Thanabal, Jessica Ward, Xiayang Qiu, 2010, The Journal of Biological Chemistry.

Short Hydrophobic Peptides with Cyclic Constraints Are Potent Glucagon-like Peptide-1 Receptor (GLP-1R) Agonists.

A. Mathiowetz, P. Loria, David A. Price, 2015, Journal of medicinal chemistry.

Glucagon-like peptide-1 and analogs: A structure/function analysis

J. Withka, D. Singleton, W. Massefski, 2002 .

1H resonance assignments and secondary structure of the 13.6 kDa glycosylated adhesion domain of human CD2.

K. A. Sterne, G. Wagner, D. Wyss, 1993, Biochemistry.

Structure of the glycosylated adhesion domain of human T lymphocyte glycoprotein CD2.

E. Reinherz, G. Wagner, D. Wyss, 1993, Structure.

The CD58 (LFA-3) binding site is a localized and highly charged surface area on the AGFCC'C" face of the human CD2 adhesion domain.

A. Kister, E. Reinherz, G. Wagner, 1993, Proceedings of the National Academy of Sciences of the United States of America.

A Critique of the Interpretation of Nuclear Overhauser Effects of Duplex DNA

S. Swaminathan, P. Bolton, J. Withka, 1991 .

NOES in duplex DNA depend on orientations of internuclear vectors to the symmetry axis

S. Swaminathan, P. Bolton, J. Withka, 1990 .

Driving Drug Discovery with Biophysical Information

G. Karam, V. Shanmugasundaram, A. Palmer, 2017 .

Toward a dynamical structure of DNA: comparison of theoretical and experimental NOE intensities.

S. Swaminathan, J. Srinivasan, D. Beveridge, 1992, Science.

Aminopyrazole Carboxamide Bruton's Tyrosine Kinase Inhibitors. Irreversible to Reversible Covalent Reactive Group Tuning.

Daniel P. Walker, Dean M. Messing, A. Wittwer, 2018, ACS medicinal chemistry letters.

Spirocyclic sulfamides as β-secretase 1 (BACE-1) inhibitors for the treatment of Alzheimer's disease: utilization of structure based drug design, WaterMap, and CNS penetration studies to identify centrally efficacious inhibitors.

É. Hajós‐Korcsok, Claude Ambroise, K. Borzilleri, 2012, Journal of medicinal chemistry.

Optimization of Metabolic and Renal Clearance in a Series of Indole Acid Direct Activators of 5'-Adenosine Monophosphate-Activated Protein Kinase (AMPK).

R. Kurumbail, A. Kalgutkar, B. Feng, 2018, Journal of medicinal chemistry.

An Intracellular Allosteric Modulator Binding Pocket in SK2 Ion Channels Is Shared by Multiple Chemotypes.

Jerry R. Hobbs, J. Pandit, R. Horst, 2018, Structure.

Characterization of conformational features of DNA heteroduplexes containing aldehydic abasic sites.

J. Gerlt, P. H. Bolton, J. Withka, 1991, Biochemistry.

Topology of the pore-region of a K+ channel revealed by the NMR-derived structures of scorpion toxins

James E. Hall, K. Chandy, G. Gutman, 1995, Neuron.

Allosteric inhibition of fructose-1,6-bisphosphatase by anilinoquinazolines.

S. Wright, A. Carlo, D. Hageman, 2001, Bioorganic & medicinal chemistry letters.

Inhibiting complex IL-17A and IL-17RA interactions with a linear peptide

G. Woodnutt, P. Sahasrabudhe, A. Thorarensen, 2016, Scientific Reports.

Time dependence of nuclear Overhauser effects of duplex DNA from molecular dynamics trajectories

S. Swaminathan, D. Beveridge, P. Bolton, 1991 .

SRT1720, SRT2183, SRT1460, and Resveratrol Are Not Direct Activators of SIRT1♦

R. Garofalo, B. Stockman, A. Varghese, 2010, The Journal of Biological Chemistry.

Structural basis for AMPK activation: natural and synthetic ligands regulate kinase activity from opposite poles by different molecular mechanisms.

R. Kurumbail, M. Harris, Hong Wang, 2014, Structure.

Design of a multi-purpose fragment screening library using molecular complexity and orthogonal diversity metrics

James E. J. Mills, Michael D. Miller, Li Xing, 2011, J. Comput. Aided Mol. Des..

Glycomimetic ligands for the human asialoglycoprotein receptor.

M. Finn, J. Pfefferkorn, Hong Wang, 2012, Journal of the American Chemical Society.