Published in J Biol Chem on July 12, 2006
Allosteric modulation of seven transmembrane spanning receptors: theory, practice, and opportunities for central nervous system drug discovery. J Med Chem (2012) 2.10
Chemokine receptor antagonists: overcoming developmental hurdles. Nat Rev Drug Discov (2008) 1.64
Pharmacological modulation of chemokine receptor function. Br J Pharmacol (2012) 1.41
Discovery of novel agonists and antagonists of the free fatty acid receptor 1 (FFAR1) using virtual screening. J Med Chem (2008) 1.38
Structure-based ligand discovery for the protein-protein interface of chemokine receptor CXCR4. Proc Natl Acad Sci U S A (2012) 1.25
Temporal expression and cellular origin of CC chemokine receptors CCR1, CCR2 and CCR5 in the central nervous system: insight into mechanisms of MOG-induced EAE. J Neuroinflammation (2007) 1.15
Preferential binding of allosteric modulators to active and inactive conformational states of metabotropic glutamate receptors. BMC Bioinformatics (2008) 1.06
Small molecule receptor agonists and antagonists of CCR3 provide insight into mechanisms of chemokine receptor activation. J Biol Chem (2007) 1.00
Prediction of the 3D structure and dynamics of human DP G-protein coupled receptor bound to an agonist and an antagonist. J Am Chem Soc (2007) 0.96
Bihelix: Towards de novo structure prediction of an ensemble of G-protein coupled receptor conformations. Proteins (2011) 0.94
Expression, purification and in vitro functional reconstitution of the chemokine receptor CCR1. Protein Expr Purif (2009) 0.93
The chemokine, CCL3, and its receptor, CCR1, mediate thoracic radiation-induced pulmonary fibrosis. Am J Respir Cell Mol Biol (2010) 0.91
Emerging concepts and approaches for chemokine-receptor drug discovery. Expert Opin Drug Discov (2010) 0.89
A rapid and efficient way to obtain modified chemokines for functional and biophysical studies. Cytokine (2011) 0.89
Characterizing and predicting the functional and conformational diversity of seven-transmembrane proteins. Methods (2011) 0.87
Ligand- and mutation-induced conformational selection in the CCR5 chemokine G protein-coupled receptor. Proc Natl Acad Sci U S A (2014) 0.86
Predicted structures of agonist and antagonist bound complexes of adenosine A3 receptor. Proteins (2011) 0.84
Critical analysis of the successes and failures of homology models of G protein-coupled receptors. Proteins (2013) 0.84
Ligand and structure-based methodologies for the prediction of the activity of G protein-coupled receptor ligands. J Comput Aided Mol Des (2008) 0.84
Screening for GPCR Ligands Using Surface Plasmon Resonance. ACS Med Chem Lett (2011) 0.83
Molecular requirements for inhibition of the chemokine receptor CCR8--probe-dependent allosteric interactions. Br J Pharmacol (2012) 0.81
Structure-based prediction of subtype selectivity of histamine H3 receptor selective antagonists in clinical trials. J Chem Inf Model (2011) 0.81
Predicted 3D structures of olfactory receptors with details of odorant binding to OR1G1. J Comput Aided Mol Des (2014) 0.81
Allosteric antagonist binding sites in class B GPCRs: corticotropin receptor 1. J Comput Aided Mol Des (2010) 0.81
The multiple faces of CCL13 in immunity and inflammation. Inflammopharmacology (2013) 0.81
Predicted structures and dynamics for agonists and antagonists bound to serotonin 5-HT2B and 5-HT2C receptors. J Chem Inf Model (2011) 0.80
Reversed binding of a small molecule ligand in homologous chemokine receptors - differential role of extracellular loop 2. Br J Pharmacol (2012) 0.78
Prediction of the three-dimensional structure for the rat urotensin II receptor, and comparison of the antagonist binding sites and binding selectivity between human and rat receptors from atomistic simulations. ChemMedChem (2010) 0.78
New paradigms in chemokine receptor signal transduction: Moving beyond the two-site model. Biochem Pharmacol (2016) 0.77
CXCR3 antagonist VUF10085 binds to an intrahelical site distinct from that of the broad spectrum antagonist TAK-779. Br J Pharmacol (2015) 0.76
Predicting the biological activities through QSAR analysis and docking-based scoring. Methods Mol Biol (2012) 0.76
Structural Analysis of Chemokine Receptor-Ligand Interactions. J Med Chem (2017) 0.75
Identifying bias in CCR1 antagonists using radiolabelled binding, receptor internalization, β-arrestin translocation and chemotaxis assays. Br J Pharmacol (2014) 0.75
Silicon nanowires as efficient thermoelectric materials. Nature (2008) 4.80
Phosphofructokinase 1 glycosylation regulates cell growth and metabolism. Science (2012) 3.05
Ab initio RNA folding by discrete molecular dynamics: from structure prediction to folding mechanisms. RNA (2008) 2.86
Sulfation patterns of glycosaminoglycans encode molecular recognition and activity. Nat Chem Biol (2006) 2.25
Prediction of structure and function of G protein-coupled receptors. Proc Natl Acad Sci U S A (2002) 2.19
International Union of Basic and Clinical Pharmacology. [corrected]. LXXXIX. Update on the extended family of chemokine receptors and introducing a new nomenclature for atypical chemokine receptors. Pharmacol Rev (2013) 2.11
Chemokine/chemokine receptor nomenclature. J Interferon Cytokine Res (2002) 1.86
Mechanism of C-F reductive elimination from palladium(IV) fluorides. J Am Chem Soc (2010) 1.83
From The Cover: The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties. Proc Natl Acad Sci U S A (2004) 1.82
The inner-sphere process in the enantioselective Tsuji allylation reaction with (S)-t-Bu-phosphinooxazoline ligands. J Am Chem Soc (2007) 1.80
Self-assembly of carbon nanotubes into two-dimensional geometries using DNA origami templates. Nat Nanotechnol (2009) 1.76
A chemokine receptor CCR-1 antagonist reduces renal fibrosis after unilateral ureter ligation. J Clin Invest (2002) 1.70
A radically configurable six-state compound. Science (2013) 1.67
Predicted 3D structure for the human beta 2 adrenergic receptor and its binding site for agonists and antagonists. Proc Natl Acad Sci U S A (2004) 1.63
ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidation. J Phys Chem A (2008) 1.63
Oxidative aliphatic C-H fluorination with fluoride ion catalyzed by a manganese porphyrin. Science (2012) 1.62
Chemokines, chemokine receptors and small-molecule antagonists: recent developments. Trends Pharmacol Sci (2002) 1.51
Minihepcidins are rationally designed small peptides that mimic hepcidin activity in mice and may be useful for the treatment of iron overload. J Clin Invest (2011) 1.49
I want a new drug: G-protein-coupled receptors in drug development. Drug Discov Today (2006) 1.48
Shock waves in high-energy materials: the initial chemical events in nitramine RDX. Phys Rev Lett (2003) 1.46
Discovery of Escherichia coli methionyl-tRNA synthetase mutants for efficient labeling of proteins with azidonorleucine in vivo. Proc Natl Acad Sci U S A (2009) 1.45
A bonding model for gold(I) carbene complexes. Nat Chem (2009) 1.44
Covalent organic frameworks as exceptional hydrogen storage materials. J Am Chem Soc (2008) 1.42
Safety of contemporary percutaneous peripheral arterial interventions in the elderly insights from the BMC2 PVI (Blue Cross Blue Shield of Michigan Cardiovascular Consortium Peripheral Vascular Intervention) registry. JACC Cardiovasc Interv (2011) 1.42
A single nucleotide polymorphism in the CCR3 gene ablates receptor export to the plasma membrane. J Allergy Clin Immunol (2010) 1.42
Chemokine receptor CCR1 but not CCR5 mediates leukocyte recruitment and subsequent renal fibrosis after unilateral ureteral obstruction. J Am Soc Nephrol (2004) 1.41
Leukocytes induce epithelial to mesenchymal transition after unilateral ureteral obstruction in neonatal mice. Am J Pathol (2007) 1.39
Linear artificial molecular muscles. J Am Chem Soc (2005) 1.38
Beneficial role of the GPR30 agonist G-1 in an animal model of multiple sclerosis. J Neuroimmunol (2009) 1.32
First principles predictions of the structure and function of g-protein-coupled receptors: validation for bovine rhodopsin. Biophys J (2004) 1.30
Mechanism of direct molecular oxygen insertion in a palladium(II)-hydride bond. Inorg Chem (2006) 1.30
Gold-catalyzed intramolecular aminoarylation of alkenes: C-C bond formation through bimolecular reductive elimination. Angew Chem Int Ed Engl (2010) 1.29
The chemokine receptor CXCR3 is degraded following internalization and is replenished at the cell surface by de novo synthesis of receptor. J Immunol (2008) 1.28
Explanation of the colossal detonation sensitivity of silicon pentaerythritol tetranitrate (Si-PETN) explosive. J Am Chem Soc (2009) 1.27
The predicted 3D structure of the human D2 dopamine receptor and the binding site and binding affinities for agonists and antagonists. Proc Natl Acad Sci U S A (2004) 1.26
New alkali doped pillared carbon materials designed to achieve practical reversible hydrogen storage for transportation. Phys Rev Lett (2004) 1.25
Effect of race and insurance on outcome of pediatric trauma. Acad Emerg Med (2010) 1.24
CCR1 blockade reduces interstitial inflammation and fibrosis in mice with glomerulosclerosis and nephrotic syndrome. Kidney Int (2004) 1.24
Prion gene sequence variation within diverse groups of U.S. sheep, beef cattle, and deer. Mamm Genome (2003) 1.23
MIP-1alpha utilizes both CCR1 and CCR5 to induce osteoclast formation and increase adhesion of myeloma cells to marrow stromal cells. Exp Hematol (2005) 1.23
Mechanism for antibody catalysis of the oxidation of water by singlet dioxygen. Proc Natl Acad Sci U S A (2002) 1.23
Mechanically bonded macromolecules. Chem Soc Rev (2009) 1.23
The path of DNA in the kinetochore. Curr Biol (2006) 1.22
HierVLS hierarchical docking protocol for virtual ligand screening of large-molecule databases. J Med Chem (2004) 1.22
The emergency department is not the ideal place for routine HIV testing. Ann Emerg Med (2007) 1.21
Delayed chemokine receptor 1 blockade prolongs survival in collagen 4A3-deficient mice with Alport disease. J Am Soc Nephrol (2005) 1.19
Predicted 3-D structures for mouse I7 and rat I7 olfactory receptors and comparison of predicted odor recognition profiles with experiment. Chem Senses (2004) 1.19
First principles calculations of the tautomers and pK(a) values of 8-oxoguanine: implications for mutagenicity and repair. Chem Res Toxicol (2002) 1.18
Protein folding: then and now. Arch Biochem Biophys (2007) 1.18
The reaction mechanism of the enantioselective Tsuji allylation: inner-sphere and outer-sphere pathways, internal rearrangements, and asymmetric C-C bond formation. J Am Chem Soc (2012) 1.17
CXCL4-induced migration of activated T lymphocytes is mediated by the chemokine receptor CXCR3. J Leukoc Biol (2008) 1.16
Role of CCR1 and CCR5 in homing and growth of multiple myeloma and in the development of osteolytic lesions: a study in the 5TMM model. Clin Exp Metastasis (2006) 1.16
Late onset of treatment with a chemokine receptor CCR1 antagonist prevents progression of lupus nephritis in MRL-Fas(lpr) mice. J Am Soc Nephrol (2004) 1.15
Calculation of solvation free energies of charged solutes using mixed cluster/continuum models. J Phys Chem B (2008) 1.15
Excited electron dynamics modeling of warm dense matter. Phys Rev Lett (2007) 1.15
Molecular characterization of the chemokine receptor CXCR3: evidence for the involvement of distinct extracellular domains in a multi-step model of ligand binding and receptor activation. Eur J Immunol (2003) 1.13
Thermal decomposition of condensed-phase nitromethane from molecular dynamics from ReaxFF reactive dynamics. J Phys Chem B (2011) 1.13
Beta-2-microglobulin haplotypes in U.S. beef cattle and association with failure of passive transfer in newborn calves. Mamm Genome (2004) 1.13
Radically enhanced molecular recognition. Nat Chem (2009) 1.13
Interaction of E. coli outer-membrane protein A with sugars on the receptors of the brain microvascular endothelial cells. Proteins (2003) 1.12
Structural characterization of unsaturated phosphatidylcholines using traveling wave ion mobility spectrometry. Anal Chem (2009) 1.12
Selective reciprocity in antimicrobial activity versus cytotoxicity of hBD-2 and crotamine. Proc Natl Acad Sci U S A (2009) 1.11
Chemistries for patterning robust DNA microbarcodes enable multiplex assays of cytoplasm proteins from single cancer cells. Chemphyschem (2010) 1.11
Thermal decomposition of RDX from reactive molecular dynamics. J Chem Phys (2005) 1.10
Making sense of olfaction through predictions of the 3-D structure and function of olfactory receptors. Chem Senses (2004) 1.09
On the impact of steric and electronic properties of ligands on gold(I)-catalyzed cycloaddition reactions. Org Lett (2009) 1.09
Temperature dependence of blue phosphorescent cyclometalated Ir(III) complexes. J Am Chem Soc (2009) 1.09
The CXC chemokine MIG/CXCL9 is important in innate immunity against Streptococcus pyogenes. J Infect Dis (2007) 1.08
Cyclooctyne-based reagents for uncatalyzed click chemistry: A computational survey. Org Biomol Chem (2009) 1.08
Protein dynamics in a family of laboratory evolved thermophilic enzymes. J Mol Biol (2003) 1.08
The gas phase reaction of singlet dioxygen with water: a water-catalyzed mechanism. Proc Natl Acad Sci U S A (2002) 1.07
Chemokine receptor CCR1 regulates inflammatory cell infiltration after renal ischemia-reperfusion injury. J Immunol (2008) 1.06
Chemokine and cytokine mediated loss of regulatory T cells in lymph nodes during pathogenic simian immunodeficiency virus infection. J Immunol (2008) 1.06
A computational model relating structure and reactivity in enantioselective oxidations of secondary alcohols by (-)-sparteine-Pd(II) complexes. J Am Chem Soc (2004) 1.06
Chemokine receptor antagonists: Part 1. Expert Opin Ther Pat (2009) 1.06
Mechanistic study of gold(I)-catalyzed intermolecular hydroamination of allenes. J Am Chem Soc (2010) 1.05
Modeling the human PTC bitter-taste receptor interactions with bitter tastants. J Mol Model (2006) 1.05
First-principles investigation of anistropic hole mobilities in organic semiconductors. J Phys Chem B (2009) 1.05
The MPSim-Dock hierarchical docking algorithm: application to the eight trypsin inhibitor cocrystals. J Comput Chem (2005) 1.04
An electrochemical color-switchable RGB dye: tristable [2]catenane. J Am Chem Soc (2005) 1.04
A distinct subset of human NK cells expressing HLA-DR expand in response to IL-2 and can aid immune responses to BCG. Eur J Immunol (2011) 1.04
Genetically encoded photo-cross-linkers map the binding site of an allosteric drug on a G protein-coupled receptor. ACS Chem Biol (2012) 1.04
Contrary prostaglandins: the opposing roles of PGD2 and its metabolites in leukocyte function. J Leukoc Biol (2006) 1.04
Structure and function of A41, a vaccinia virus chemokine binding protein. PLoS Pathog (2008) 1.04
The clinical potential of chemokine receptor antagonists. Pharmacol Ther (2005) 1.03
Dynamic behavior of fully solvated beta2-adrenergic receptor, embedded in the membrane with bound agonist or antagonist. Proc Natl Acad Sci U S A (2006) 1.03
Two-phase thermodynamic model for efficient and accurate absolute entropy of water from molecular dynamics simulations. J Phys Chem B (2010) 1.02
Density-dependent liquid nitromethane decomposition: molecular dynamics simulations based on ReaxFF. J Phys Chem A (2011) 1.01
3D structure prediction of TAS2R38 bitter receptors bound to agonists phenylthiocarbamide (PTC) and 6-n-propylthiouracil (PROP). J Chem Inf Model (2012) 1.01