Docking of 4-oxalocrotonate tautomerase substrates: implications for the catalytic mechanism.

PubWeight™: 0.79‹?›

🔗 View Article (PMID 10397792)

Published in Biopolymers on September 01, 1999

Authors

T A Soares1, D S Goodsell, J M Briggs, R Ferreira, A J Olson

Author Affiliations

1: Department of Molecular Biology, The Scripps Research Institute, La Jolla, CA 92037, USA.

Articles by these authors

Reduced surface: an efficient way to compute molecular surfaces. Biopolymers (1996) 10.62

Automated docking of flexible ligands: applications of AutoDock. J Mol Recognit (1996) 6.51

Distributed automated docking of flexible ligands to proteins: parallel applications of AutoDock 2.4. J Comput Aided Mol Des (1996) 5.09

Automated docking of substrates to proteins by simulated annealing. Proteins (1990) 4.49

Structural symmetry and protein function. Annu Rev Biophys Biomol Struct (2000) 4.11

The reactivity of anti-peptide antibodies is a function of the atomic mobility of sites in a protein. Nature (1984) 4.05

Digital dynamic telepathology--the Virtual Microscope. Proc AMIA Symp (1998) 3.01

Tomato bushy stunt virus at 2.9 A resolution. Nature (1978) 2.87

Structure, function and properties of antibody binding sites. J Mol Biol (1991) 2.84

Structure of an alternating-B DNA helix and its relationship to A-tract DNA. Proc Natl Acad Sci U S A (1988) 2.04

"...the tyranny of the lattice...". Proc Natl Acad Sci U S A (1994) 2.03

Transcriptional repression by the retinoblastoma protein through the recruitment of a histone methyltransferase. Mol Cell Biol (2001) 2.00

Simulation of enzyme-substrate encounter with gated active sites. Nat Struct Biol (1994) 1.93

Developing a dynamic pharmacophore model for HIV-1 integrase. J Med Chem (2000) 1.71

Morphology of protein-protein interfaces. Structure (1998) 1.67

The effect of crystal packing on oligonucleotide double helix structure. J Biomol Struct Dyn (1987) 1.64

Structure of tomato busy stunt virus IV. The virus particle at 2.9 A resolution. J Mol Biol (1983) 1.64

The structure of DAPI bound to DNA. J Biomol Struct Dyn (1989) 1.56

Identification and analysis of the acyl carrier protein (ACP) docking site on beta-ketoacyl-ACP synthase III. J Biol Chem (2000) 1.54

An intrinsic but cell-nonautonomous defect in GATA-1-overexpressing mouse erythroid cells. Nature (2000) 1.45

CBP/p300 histone acetyl-transferase activity is important for the G1/S transition. Oncogene (2000) 1.44

Two approaches to discovering and developing new drugs for Chagas disease. Mem Inst Oswaldo Cruz (2009) 1.41

The atomic mobility component of protein antigenicity. Annu Rev Immunol (1985) 1.40

[Should all patients with ventricular pre-excitation of the Wolff-Parkinson-White syndrome type undergo catheter ablation?]. Rev Port Cardiol (1999) 1.39

Management of acute myocardial infarction in Portugal. Results of a nationwide survey. Rev Port Cardiol (2001) 1.37

Rapid binding of a cationic active site inhibitor to wild type and mutant mouse acetylcholinesterase: Brownian dynamics simulation including diffusion in the active site gorge. Biopolymers (1998) 1.33

Mapping of left ventricular blood flow with radioactive microspheres in experimental coronary artery occlusion. Cardiovasc Res (1973) 1.30

Shape analysis of molecular surfaces. Biopolymers (1993) 1.27

Crystallographic analysis of C-C-A-A-G-C-T-T-G-G and its implications for bending in B-DNA. Biochemistry (1993) 1.24

Soluble proteins: size, shape and function. Trends Biochem Sci (1993) 1.22

Odontoameloblastoma: a case report. Br J Oral Maxillofac Surg (1990) 1.17

Enforced expression of GATA-3 in transgenic mice inhibits Th1 differentiation and induces the formation of a T1/ST2-expressing Th2-committed T cell compartment in vivo. J Immunol (2001) 1.14

Successful thrombolytic therapy after acute tricuspid-valve obstruction. Lancet (1971) 1.13

Orientational steering in enzyme-substrate association: ionic strength dependence of hydrodynamic torque effects. Eur Biophys J (1996) 1.13

Enforced expression of GATA-3 during T cell development inhibits maturation of CD8 single-positive cells and induces thymic lymphoma in transgenic mice. J Immunol (2001) 1.13

The SCL +40 enhancer targets the midbrain together with primitive and definitive hematopoiesis and is regulated by SCL and GATA proteins. Mol Cell Biol (2007) 1.13

Correlation between rate of enzyme-substrate diffusional encounter and average Boltzmann factor around active site. Biopolymers (1998) 1.10

[Pulmonary thromboembolism angiographically confirmed: clinical and prognostic aspects]. Rev Port Cardiol (1999) 1.08

Molecular modeling of the intrastrand guanine-guanine DNA adducts produced by cisplatin and oxaliplatin. Mol Pharmacol (1999) 1.08

Crystal structure of a covalent DNA-drug adduct: anthramycin bound to C-C-A-A-C-G-T-T-G-G and a molecular explanation of specificity. Biochemistry (1994) 1.06

Long lifetimes of quantum-dot intersublevel transitions in the terahertz range. Nat Mater (2009) 1.06

Molecular dynamics studies on the HIV-1 integrase catalytic domain. Biophys J (1999) 1.06

Defining GC-specificity in the minor groove: side-by-side binding of the di-imidazole lexitropsin to C-A-T-G-G-C-C-A-T-G. Structure (1997) 1.05

Mycobacterium celatum infection in a patient with AIDS. Clin Infect Dis (1998) 1.03

Effect of propranolol and isoprenaline on regional left ventricular blood flow in experimental myocardial ischaemia. Cardiovasc Res (1975) 1.03

Approximation and characterization of molecular surfaces. Biopolymers (1993) 1.03

Viral evolution in response to the broad-based retroviral protease inhibitor TL-3. J Virol (2001) 1.03

Electrostatic and non-electrostatic contributions to the binding free energies of anthracycline antibiotics to DNA. J Mol Biol (1997) 1.02

P-glycoprotein induction: an antidotal pathway for paraquat-induced lung toxicity. Free Radic Biol Med (2006) 1.02

Modelling of factor Xa-inhibitor complexes: a computational flexible docking approach. Proteins (1999) 1.01

Recognition and interactions controlling the assemblies of beta barrel domains. Biophys J (1986) 0.99

Hamartoma of the mitral valve with blood cysts: a rare tumor detected by echocardiography. J Am Soc Echocardiogr (1998) 0.99

Electrostatic orientation of the electron-transfer complex between plastocyanin and cytochrome c. J Biol Chem (1991) 0.98

Controlling anoxic tolerance in adult Drosophila via the cGMP-PKG pathway. J Exp Biol (2010) 0.97

Electrostatic effects in homeodomain-DNA interactions. J Mol Biol (1997) 0.96

Analysis of a data set of paired uncomplexed protein structures: new metrics for side-chain flexibility and model evaluation. Proteins (2001) 0.95

Brownian dynamics simulations of interaction between scorpion toxin Lq2 and potassium ion channel. Biophys J (2001) 0.95

Continuous absorption background and decoherence in quantum dots. Phys Rev Lett (2002) 0.94

Alteration of substrate and inhibitor specificity of feline immunodeficiency virus protease. J Virol (2000) 0.94

Calculation of the pKa values for the ligands and side chains of Escherichia coli D-alanine:D-alanine ligase. J Med Chem (1999) 0.94

Molecular analysis of the feline immunodeficiency virus protease: generation of a novel form of the protease by autoproteolysis and construction of cleavage-resistant proteases. J Virol (1997) 0.94

Residue-residue mean-force potentials for protein structure recognition. Protein Eng (1997) 0.93

Sodium salicylate prevents paraquat-induced apoptosis in the rat lung. Free Radic Biol Med (2007) 0.93

Automated docking in crystallography: analysis of the substrates of aconitase. Proteins (1993) 0.92

Revisiting catalysis by chymotrypsin family serine proteases using peptide substrates and inhibitors with unnatural main chains. J Biol Chem (1999) 0.92

Reduction of reperfusion injury with preoperative rapid intravenous infusion of taurine during myocardial revascularization. Am Heart J (1992) 0.92

Influence of anabolic steroid on anxiety levels in sedentary male rats. Stress (2007) 0.91

Multifaces of neuropeptide Y in the brain--neuroprotection, neurogenesis and neuroinflammation. Neuropeptides (2012) 0.91

Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease. Proteins (2000) 0.90

Structure-based drug design: computational advances. Annu Rev Pharmacol Toxicol (1997) 0.90

Constructing lattice models of protein chains with side groups. J Comput Biol (1995) 0.90

Microglial SK3 and SK4 currents and activation state are modulated by the neuroprotective drug, riluzole. J Neuroimmune Pharmacol (2012) 0.89

Recurrent and novel LDL receptor gene mutations causing heterozygous familial hypercholesterolemia in La Habana. Hum Genet (1995) 0.89

Integrating computation and visualization for biomolecular analysis: an example using python and AVS. Pac Symp Biocomput (1999) 0.89

Brownian and essential dynamics studies of the HIV-1 integrase catalytic domain. J Biomol Struct Dyn (1998) 0.89

Effects of pore mutations and permeant ion concentration on the spontaneous gating activity of OmpC porin. Protein Eng (2000) 0.88

Investigations on human immunodeficiency virus type 1 integrase/DNA binding interactions via molecular dynamics and electrostatics calculations. Pharmacol Ther (2000) 0.88

A model for enzyme-substrate interaction in alanine racemase. J Am Chem Soc (2001) 0.88

Inflammation and neurogenesis in temporal lobe epilepsy. Curr Drug Targets CNS Neurol Disord (2005) 0.87

[Domestic ecology of Triatoma infestans in Mambaí, Goiás-Brazil]. Rev Inst Med Trop Sao Paulo (1983) 0.87

Binding of tacrine and 6-chlorotacrine by acetylcholinesterase. Biopolymers (1996) 0.87

Proatherosclerotic effects of chronic stress in male rats: altered phenylephrine sensitivity and nitric oxide synthase activity of aorta and circulating lipids. Stress (2009) 0.86

Interaction between neuropeptide Y (NPY) and brain-derived neurotrophic factor in NPY-mediated neuroprotection against excitotoxicity: a role for microglia. Eur J Neurosci (2008) 0.86

Normalization strategies for real-time expression data in Chlamydia trachomatis. J Microbiol Methods (2010) 0.86

Poisson-Boltzmann model studies of molecular electrostatic properties of the cAMP-dependent protein kinase. Eur Biophys J (1999) 0.86

Similarities in the HIV-1 and ASV integrase active sites upon metal cofactor binding. Biopolymers (2000) 0.85

Recognition of protein structure on coarse lattices with residue-residue energy functions. Protein Eng (1997) 0.84

Effects of antidepressant and treadmill gait training on recovery from spinal cord injury in rats. Spinal Cord (2013) 0.84

Progress in the design of DNA sequence-specific lexitropsins. Biopolymers (1997) 0.84

Ultrasonographic, thermographic and histologic evaluation of MNU-induced mammary tumors in female Sprague-Dawley rats. Biomed Pharmacother (2013) 0.84

Recognition templates for predicting adenylate-binding sites in proteins. J Mol Biol (2001) 0.84

[Revista Portuguesa de Cardiologia. Quality and prestige for the use of cardiovascular medicine]. Rev Port Cardiol (1992) 0.83

Spielberger's State-Trait Anxiety Inventory: Measuring anxiety with and without an audience during performance on a stabilometer. Percept Mot Skills (1983) 0.83

Building self-avoiding lattice models of proteins using a self-consistent field optimization. Proteins (1996) 0.83

Ionization state and molecular docking studies for the macrophage migration inhibitory factor: the role of lysine 32 in the catalytic mechanism. J Mol Recognit (2000) 0.83