Determinants of Ligand Binding to cAMP-Dependent Protein Kinase

The interpretation of protein structures: Estimation of static accessibility

1971 • 5,771 citations

The Protein Kinase Family: Conserved Features and Deduced Phylogeny of the Catalytic Domains

1988 • 5,115 citations

Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis

1990 • 4,537 citations

Classical Electrostatics in Biology and Chemistry

1995 • 2,801 citations

Isoquinolinesulfonamides, novel and potent inhibitors of cyclic nucleotide-dependent protein kinase and protein kinase C

1984 • 2,728 citations

Protein kinases 6. The eukaryotic protein kinase superfamily: kinase (catalytic) domain structure and classification.

1995 • 2,534 citations

The eukaryotic protein kinase superfamily: kinase (catalytic) domain structure and classification ¹

1995 • 2,199 citations

Accurate Calculation of Hydration Free Energies Using Macroscopic Solvent Models

1994 • 2,072 citations

Inhibition of forskolin-induced neurite outgrowth and protein phosphorylation by a newly synthesized selective inhibitor of cyclic AMP-dependent protein kinase, N-[2-(p-bromocinnamylamino)ethyl]-5-isoquinolinesulfonamide (H-89), of PC12D pheochromocytoma cells.

1990 • 1,507 citations

An Adenosine 3′,5′-Monophosphate-dependant Protein Kinase from Rabbit Skeletal Muscle

1968 • 1,423 citations

The statistical-thermodynamic basis for computation of binding affinities: a critical review

1997 • 1,180 citations

cAMP-DEPENDENT PROTEIN KINASE: FRAMEWORK FOR A DIVERSE FAMILY OF REGULATORY ENZYMES

1990 • 1,121 citations

Calculation of the electric potential in the active site cleft due to α-helix dipoles

1982 • 931 citations

Prediction of Ph-dependent Properties of Proteins

1994 • 811 citations

Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian Dynamics program

1995 • 807 citations

Cyclic AMP-induced G1 phase arrest mediated by an inhibitor (p27Kip1) of cyclin-dependent kinase 4 activation

1994 • 742 citations

Structural Mechanisms for Domain Movements in Proteins

1994 • 741 citations

Crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with magnesium-ATP and peptide inhibitor

1993 • 593 citations

Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian dynamics program

1991 • 442 citations

Regulation of camp-inducible genes by creb

1990 • 416 citations

Phosphotransferase and substrate binding mechanism of the cAMP-dependent protein kinase catalytic subunit from porcine heart as deduced from the 2.0 A structure of the complex with Mn2+ adenylyl imidodiphosphate and inhibitor peptide PKI(5-24).

1993 • 399 citations

Adenosine cyclic 3',5'-monophosphate dependent protein kinase: kinetic mechanism for the bovine skeletal muscle catalytic subunit

1982 • 380 citations

CREB: A mediator of long-term memory from mollusks to mammals

1994 • 371 citations

2.2 Å refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with MnATP and a peptide inhibitor

1993 • 356 citations

The price of lost freedom: entropy of bimolecular complex formation

1989 • 323 citations

Epidermal growth factor-dependent phosphorylation of lipocortin

1986 • 303 citations

Side‐chain conformational entropy in protein folding

1995 • 285 citations

Crystal structures of the myristylated catalytic subunit of cAMP‐dependent protein kinase reveal open and closed conformations

1993 • 284 citations

Free Energy Balance in Protein Folding

1995 • 274 citations

Crystal Structures of Catalytic Subunit of cAMP-dependent Protein Kinase in Complex with Isoquinolinesulfonyl Protein Kinase Inhibitors H7, H8, and H89

1996 • 257 citations

A free energy analysis of nucleic acid base stacking in aqueous solution

1995 • 234 citations

Free Energy Determinants of Secondary Structure Formation: I. α-Helices

1995 • 220 citations

Partitioning of free energy contributions in the estimation of binding constants: residual motions and consequences for amide-amide hydrogen bond strengths

1992 • 212 citations

On the calculation of binding free energies using continuum methods: Application to MHC class I protein‐peptide interactions

1997 • 191 citations

Solvation Free Energies Estimated from Macroscopic Continuum Theory: An Accuracy Assessment

1994 • 186 citations

Co-operativity in protein-protein association

1989 • 162 citations

Free Energy Determinants of Secondary Structure Formation: II. Antiparallel β-Sheets

1995 • 160 citations

Mg X ATP2-dependent interaction of the inhibitor protein of the cAMP-dependent protein kinase with the catalytic subunit.

1983 • 159 citations

Staurosporine-induced conformational changes of cAMP-dependent protein kinase catalytic subunit explain inhibitory potential

1997 • 150 citations

Theory of biomolecular recognition

1998 • 149 citations

Role of the Glycine Triad in the ATP-binding Site of cAMP-dependent Protein Kinase

1997 • 139 citations

Requirement for cAMP-PKA Pathway Activation by M Phase-Promoting Factor in the Transition from Mitosis to Interphase

1996 • 137 citations

A binary complex of the catalytic subunit of cAMP-dependent protein kinase and adenosine further defines conformational flexibility

1997 • 119 citations

An active twenty-amino-acid-residue peptide derived from the inhibitor protein of the cyclic AMP-dependent protein kinase

1985 • 119 citations

Free Energy Determinants of Secondary Structure Formation: III. β-Turns and their Role in Protein Folding

1996 • 104 citations

Physiological inhibitors of the catalytic subunit of cAMP-dependent protein kinase: effect of magnesium-ATP on protein-protein interactions

1993 • 92 citations

Adenosine cyclic 3',5'-monophosphate dependent protein kinase: a new fluorescence displacement titration technique for characterizing the nucleotide binding site on the catalytic subunit

1983 • 75 citations

2.0 Å refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with a peptide inhibitor and detergent

1993 • 73 citations

Structure of the mammalian catalytic subunit of cAMP-dependent protein kinase and an inhibitor peptide displays an open conformation

1993 • 66 citations

Molecular design and biological activity of potent and selective protein kinase inhibitors related to balanol

1995 • 64 citations

Synergistic Binding of Nucleotides and Inhibitors to cAMP-dependent Protein Kinase Examined by Acrylodan Fluorescence Spectroscopy

1997 • 55 citations

Protein kinase inhibition: natural and synthetic variations on a theme

1997 • 52 citations

Combined Conformational Search and Finite-Difference Poisson?Boltzmann Approach for Flexible Docking

1994 • 48 citations

Electrostatic interactions in hirudin-thrombin binding

1996 • 48 citations

Free energies of hydration from thermodynamic integration: Comparison of molecular mechanics force fields and evaluation of calculation accuracy

1997 • 41 citations

Adenosine 3′,5′-monophosphate

1970 • 41 citations

Synthesis and Protein Kinase C Inhibitory Activities of Balanol Analogs with Replacement of the Perhydroazepine Moiety

1997 • 38 citations

Crystallization studies of cAMP-dependent protein kinase

1991 • 36 citations

Synthesis and Protein Kinase C Inhibitory Activities of Acyclic Balanol Analogs That Are Highly Selective for Protein Kinase C over Protein Kinase A

1996 • 36 citations

Examination of an active‐site electrostatic node in the cAMP‐dependent protein kinase catalytic subunit

1996 • 34 citations

Computational method for relative binding energies of enzyme‐substrate complexes

1996 • 34 citations

Development and parametrization of continuum solvent models. I. Models based on the boundary element method

1996 • 34 citations

Catalytic subunit of cAMP-dependent protein kinase: Electrostatic features and peptide recognition

1998 • 24 citations

A Comparison of Perturbation Methods and Poisson-Boltzmann Electrostatics Calculations for Estimation of Relative Solvation Free Energies

1994 • 23 citations

Identification of electrostatic interaction sites between the regulatory and catalytic subunits of cyclic AMP‐dependent protein kinase

1997 • 21 citations

Kinase conformations: A computational study of the effect of ligand binding

1997 • 20 citations

Intermolecular contacts in various crystal forms related to the open and closed conformational states of the catalytic subunit of cAMP-dependent protein kinase

1994 • 16 citations

Conformational analysis of endothelin‐1: Effects of solvation free energy

1995 • 10 citations