Published in Proteins on November 30, 2010
Structural mechanisms of constitutive activation in the C5a receptors with mutations in the extracellular loops: molecular modeling study. Proteins (2011) 0.82
Insights into the mechanism of C5aR inhibition by PMX53 via implicit solvent molecular dynamics simulations and docking. BMC Biophys (2014) 0.78
High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor. Science (2007) 20.32
The 2.6 angstrom crystal structure of a human A2A adenosine receptor bound to an antagonist. Science (2008) 11.74
Crystal structure of opsin in its G-protein-interacting conformation. Nature (2008) 8.61
Drug discovery: a historical perspective. Science (2000) 8.15
High-resolution distance mapping in rhodopsin reveals the pattern of helix movement due to activation. Proc Natl Acad Sci U S A (2008) 5.06
Uncovering molecular mechanisms involved in activation of G protein-coupled receptors. Endocr Rev (2000) 4.98
Crystal structure of a photoactivated deprotonated intermediate of rhodopsin. Proc Natl Acad Sci U S A (2006) 4.33
Activation of the beta 2-adrenergic receptor involves disruption of an ionic lock between the cytoplasmic ends of transmembrane segments 3 and 6. J Biol Chem (2001) 3.49
Rhodopsin structure, dynamics, and activation: a perspective from crystallography, site-directed spin labeling, sulfhydryl reactivity, and disulfide cross-linking. Adv Protein Chem (2003) 3.28
Somatic mutations in the thyrotropin receptor gene cause hyperfunctioning thyroid adenomas. Nature (1993) 3.19
Ligand-specific regulation of the extracellular surface of a G-protein-coupled receptor. Nature (2010) 3.19
Identification of two distinct inactive conformations of the beta2-adrenergic receptor reconciles structural and biochemical observations. Proc Natl Acad Sci U S A (2009) 2.77
Essential role for the second extracellular loop in C5a receptor activation. Nat Struct Mol Biol (2005) 2.71
Electron crystallography reveals the structure of metarhodopsin I. EMBO J (2004) 2.63
Agonist-induced conformational changes in the G-protein-coupling domain of the beta 2 adrenergic receptor. Proc Natl Acad Sci U S A (2001) 2.58
Sequence analyses of G-protein-coupled receptors: similarities to rhodopsin. Biochemistry (2003) 2.42
Structure modeling of all identified G protein-coupled receptors in the human genome. PLoS Comput Biol (2006) 2.40
Structural mimicry in G protein-coupled receptors: implications of the high-resolution structure of rhodopsin for structure-function analysis of rhodopsin-like receptors. Mol Pharmacol (2001) 2.38
Agonists induce conformational changes in transmembrane domains III and VI of the beta2 adrenoceptor. EMBO J (1997) 2.26
Prediction of structure and function of G protein-coupled receptors. Proc Natl Acad Sci U S A (2002) 2.19
Convergence of molecular dynamics simulations of membrane proteins. Proteins (2007) 1.75
Lessons from constitutively active mutants of G protein-coupled receptors. Trends Endocrinol Metab (2002) 1.70
Movement of retinal along the visual transduction path. Science (2000) 1.68
A lipid pathway for ligand binding is necessary for a cannabinoid G protein-coupled receptor. J Biol Chem (2010) 1.59
GPCR 3D homology models for ligand screening: lessons learned from blind predictions of adenosine A2a receptor complex. Proteins (2010) 1.57
The role of a conserved region of the second intracellular loop in AT1 angiotensin receptor activation and signaling. Endocrinology (2003) 1.49
Agonist-induced conformational changes at the cytoplasmic side of transmembrane segment 6 in the beta 2 adrenergic receptor mapped by site-selective fluorescent labeling. J Biol Chem (2000) 1.49
Mutation of a highly conserved aspartic acid in the beta2 adrenergic receptor: constitutive activation, structural instability, and conformational rearrangement of transmembrane segment 6. Mol Pharmacol (1999) 1.43
The effect of mutations in the DRY motif on the constitutive activity and structural instability of the histamine H(2) receptor. Mol Pharmacol (2000) 1.41
Similar structures and shared switch mechanisms of the beta2-adrenoceptor and the parathyroid hormone receptor. Zn(II) bridges between helices III and VI block activation. J Biol Chem (1999) 1.36
A conserved Asn in transmembrane helix 7 is an on/off switch in the activation of the thyrotropin receptor. J Biol Chem (2001) 1.29
Topology of class A G protein-coupled receptors: insights gained from crystal structures of rhodopsins, adrenergic and adenosine receptors. Mol Pharmacol (2008) 1.28
Modeling the possible conformations of the extracellular loops in G-protein-coupled receptors. Proteins (2010) 1.27
Evidence for a model of agonist-induced activation of 5-hydroxytryptamine 2A serotonin receptors that involves the disruption of a strong ionic interaction between helices 3 and 6. J Biol Chem (2002) 1.27
Homology modeling of opioid receptor-ligand complexes using experimental constraints. AAPS J (2005) 1.18
PREDICT modeling and in-silico screening for G-protein coupled receptors. Proteins (2004) 1.18
Conversion of agonist site to metal-ion chelator site in the beta(2)-adrenergic receptor. Proc Natl Acad Sci U S A (1999) 1.16
Mutagenesis and modelling of the alpha(1b)-adrenergic receptor highlight the role of the helix 3/helix 6 interface in receptor activation. Mol Pharmacol (2002) 1.16
C5a receptor activation. Genetic identification of critical residues in four transmembrane helices. J Biol Chem (1999) 1.10
The activation process of the alpha1B-adrenergic receptor: potential role of protonation and hydrophobicity of a highly conserved aspartate. Proc Natl Acad Sci U S A (1997) 1.08
An activation switch in the ligand binding pocket of the C5a receptor. J Biol Chem (2000) 1.08
Topographical requirements for delta-selective opioid peptides. Biopolymers (1991) 1.06
Identification of a ligand-dependent switch within a muscarinic receptor. J Biol Chem (1998) 1.04
Genetic analysis of the first and third extracellular loops of the C5a receptor reveals an essential WXFG motif in the first loop. J Biol Chem (2006) 1.00
Partial agonism through a zinc-Ion switch constructed between transmembrane domains III and VII in the tachykinin NK(1) receptor. Mol Pharmacol (2000) 0.98
Constitutive activation and endocytosis of the complement factor 5a receptor: evidence for multiple activated conformations of a G protein-coupled receptor. Traffic (2002) 0.98
Impact of the DRY motif and the missing "ionic lock" on constitutive activity and G-protein coupling of the human histamine H4 receptor. J Pharmacol Exp Ther (2010) 0.98
Modeling flexible loops in the dark-adapted and activated states of rhodopsin, a prototypical G-protein-coupled receptor. Biophys J (2005) 0.97
Improving CAPRI predictions: optimized desolvation for rigid-body docking. Proteins (2005) 0.97
Molecular biology of light transduction by the Mammalian photoreceptor, rhodopsin. J Biomol Struct Dyn (2000) 0.96
Constitutive activation of angiotensin II type 1 receptor alters the orientation of transmembrane Helix-2. J Biol Chem (2002) 0.95
The role of Asp578 in maintaining the inactive conformation of the human lutropin/choriogonadotropin receptor. J Biol Chem (1996) 0.91
Modulation of ligand selectivity associated with activation of the transmembrane region of the human follitropin receptor. Mol Endocrinol (2004) 0.91
Genetic mapping of the human C5a receptor. Identification of transmembrane amino acids critical for receptor function. J Biol Chem (2000) 0.90
Constitutive activation of the mu opioid receptor by mutation of D3.49(164), but not D3.32(147): D3.49(164) is critical for stabilization of the inactive form of the receptor and for its expression. Biochemistry (2001) 0.90
Characteristics for a salt-bridge switch mutation of the alpha(1b) adrenergic receptor. Altered pharmacology and rescue of constitutive activity. J Biol Chem (1999) 0.89
Modeling molecular mechanisms of binding of the anaphylatoxin C5a to the C5a receptor. Biochemistry (2008) 0.89
Third extracellular loop (EC3)-N terminus interaction is important for seven-transmembrane domain receptor function: implications for an activation microswitch region. J Biol Chem (2010) 0.87
Optimal bundling of transmembrane helices using sparse distance constraints. Protein Sci (2004) 0.86
Molecular mechanisms of constitutive activity: mutations at position 111 of the angiotensin AT1 receptor. J Pept Res (2005) 0.86
Three-dimensional model for meta-II rhodopsin, an activated G-protein-coupled receptor. Biochemistry (2003) 0.85
Interactions between conserved residues in transmembrane helices 2 and 7 during angiotensin AT1 receptor activation. Chem Biol Drug Des (2006) 0.84
The fifth transmembrane domain of angiotensin II Type 1 receptor participates in the formation of the ligand-binding pocket and undergoes a counterclockwise rotation upon receptor activation. J Biol Chem (2009) 0.83
A comprehensive structure-function map of the intracellular surface of the human C5a receptor. I. Identification of critical residues. J Biol Chem (2006) 0.81
Conserved polar residues in the transmembrane domain of the human tachykinin NK2 receptor: functional roles and structural implications. Biochem J (1999) 0.81
A comprehensive structure-function map of the intracellular surface of the human C5a receptor. II. Elucidation of G protein specificity determinants. J Biol Chem (2006) 0.80
Ligand induced conformational states of the 5-HT(1A) receptor. Eur J Pharmacol (2001) 0.80
Structural models for the complex of chemotaxis inhibitory protein of Staphylococcus aureus with the C5a receptor. Biochem Biophys Res Commun (2009) 0.78
3D modeling of the activated states of constitutively active mutants of rhodopsin. Biochem Biophys Res Commun (2006) 0.78
Conformational movement of F251 contributes to the molecular mechanism of constitutive activation in the C5a receptor. Chem Biol Drug Des (2008) 0.77
Comparison of the retinitis pigmentosa mutations in rhodopsin with a functional map of the C5a receptor. Vision Res (2006) 0.76
The biology and future prospects of antivirulence therapies. Nat Rev Microbiol (2008) 3.83
Essential role for the second extracellular loop in C5a receptor activation. Nat Struct Mol Biol (2005) 2.71
A crowdsourcing evaluation of the NIH chemical probes. Nat Chem Biol (2009) 2.29
A high-sugar diet produces obesity and insulin resistance in wild-type Drosophila. Dis Model Mech (2011) 1.92
Transformed Drosophila cells evade diet-mediated insulin resistance through wingless signaling. Cell (2013) 1.69
C5a receptor oligomerization. I. Disulfide trapping reveals oligomers and potential contact surfaces in a G protein-coupled receptor. J Biol Chem (2003) 1.44
A Drosophila model of high sugar diet-induced cardiomyopathy. PLoS Genet (2013) 1.28
Modeling the possible conformations of the extracellular loops in G-protein-coupled receptors. Proteins (2010) 1.27
Genetic analysis of the first and third extracellular loops of the C5a receptor reveals an essential WXFG motif in the first loop. J Biol Chem (2006) 1.00
Inhibition of bacterial virulence: drug-like molecules targeting the Salmonella enterica PhoP response regulator. Chem Biol Drug Des (2012) 0.98
Evidence for transgenerational metabolic programming in Drosophila. Dis Model Mech (2013) 0.98
Constitutive activation and endocytosis of the complement factor 5a receptor: evidence for multiple activated conformations of a G protein-coupled receptor. Traffic (2002) 0.98
C5a receptor oligomerization. II. Fluorescence resonance energy transfer studies of a human G protein-coupled receptor expressed in yeast. J Biol Chem (2003) 0.98
Modeling flexible loops in the dark-adapted and activated states of rhodopsin, a prototypical G-protein-coupled receptor. Biophys J (2005) 0.97
Development of small molecules designed to modulate protein-protein interactions. J Comput Aided Mol Des (2006) 0.97
Prognostic factors in patients with well-differentiated thyroid cancer presenting with pulmonary metastasis. Cancer Biother Radiopharm (2008) 0.95
Protein recognition motifs: design of peptidomimetics of helix surfaces. Biopolymers (2007) 0.95
Role of fat body lipogenesis in protection against the effects of caloric overload in Drosophila. J Biol Chem (2013) 0.93
Conformational manifold of alpha-aminoisobutyric acid (Aib) containing alanine-based tripeptides in aqueous solution explored by vibrational spectroscopy, electronic circular dichroism spectroscopy, and molecular dynamics simulations. J Am Chem Soc (2007) 0.92
Electron paramagnetic resonance studies of functionally active, nitroxide spin-labeled peptide analogues of the C-terminus of a G-protein alpha subunit. Biochemistry (2010) 0.91
Virtual screening for lead discovery. Methods Mol Biol (2011) 0.91
Structure of the complement factor 5a receptor-ligand complex studied by disulfide trapping and molecular modeling. J Biol Chem (2008) 0.91
Impact of cis-proline analogs on peptide conformation. Biopolymers (2006) 0.91
A virtual library of constrained cyclic tetrapeptides that mimics all four side-chain orientations for over half the reverse turns in the protein data bank. J Comput Aided Mol Des (2008) 0.90
Modeling molecular mechanisms of binding of the anaphylatoxin C5a to the C5a receptor. Biochemistry (2008) 0.89
Beta2-chimaerin in cancer signaling: connecting cell adhesion and MAP kinase activation. Cell Cycle (2007) 0.89
Relative strength of cation-pi vs salt-bridge interactions: the Gtalpha(340-350) peptide/rhodopsin system. J Am Chem Soc (2006) 0.88
Third extracellular loop (EC3)-N terminus interaction is important for seven-transmembrane domain receptor function: implications for an activation microswitch region. J Biol Chem (2010) 0.87
PHOENIX: a scoring function for affinity prediction derived using high-resolution crystal structures and calorimetry measurements. J Chem Inf Model (2011) 0.87
G-protein alpha and beta-gamma subunits interact with conformationally distinct signaling states of rhodopsin. Vision Res (2006) 0.86
Chimaerin and Rac regulate cell number, adherens junctions, and ERK MAP kinase signaling in the Drosophila eye. Proc Natl Acad Sci U S A (2007) 0.85
Modulating G-protein coupled receptor/G-protein signal transduction by small molecules suggested by virtual screening. J Med Chem (2008) 0.85
Insight into the binding mode for cyclopentapeptide antagonists of the CXCR4 receptor. Chem Biol Drug Des (2006) 0.85
Three-dimensional model for meta-II rhodopsin, an activated G-protein-coupled receptor. Biochemistry (2003) 0.85
Design, synthesis, and metal binding of novel Pseudo- oligopeptides containing two phosphinic acid groups. Biopolymers (2008) 0.85
Motion of carboxyl terminus of Galpha is restricted upon G protein activation. A solution NMR study using semisynthetic Galpha subunits. J Biol Chem (2005) 0.84
Interactions between conserved residues in transmembrane helices 2 and 7 during angiotensin AT1 receptor activation. Chem Biol Drug Des (2006) 0.84
Conformationally restricted TRH analogues: constraining the pyroglutamate region. Bioorg Med Chem (2002) 0.84
Hydroxamate-based iron chelators: combinatorial syntheses of desferrioxamine B analogues and evaluation of binding affinities. J Comb Chem (2004) 0.83
Modeling of the complex between transducin and photoactivated rhodopsin, a prototypical G-protein-coupled receptor. Biochemistry (2007) 0.82
Frizzled receptors signal through G proteins. Cell Signal (2013) 0.82
Molecular dynamics of β-hairpin models of epigenetic recognition motifs. J Am Chem Soc (2012) 0.82
Privileged scaffolds targeting reverse-turn and helix recognition. Expert Opin Ther Targets (2008) 0.82
Structural mechanisms of constitutive activation in the C5a receptors with mutations in the extracellular loops: molecular modeling study. Proteins (2011) 0.82
Engineering cyclic tetrapeptides containing chimeric amino acids as preferred reverse-turn scaffolds. J Med Chem (2006) 0.81
Do benzodiazepines mimic reverse-turn structures? J Comput Aided Mol Des (2006) 0.81
A comprehensive structure-function map of the intracellular surface of the human C5a receptor. I. Identification of critical residues. J Biol Chem (2006) 0.81
Synthesis of the phenylpyridal scaffold as a helical peptide mimetic. Chemistry (2010) 0.81
Histone deacetylase inhibitors: structure-based modeling and isoform-selectivity prediction. J Chem Inf Model (2012) 0.81
Drug-like leads for steric discrimination between substrate and inhibitors of human acetylcholinesterase. Chem Biol Drug Des (2011) 0.81
Difference between restoring and predicting 3D structures of the loops in G-protein-coupled receptors by molecular modeling. Proc Natl Acad Sci U S A (2011) 0.80
Random mutagenesis of the complement factor 5a (C5a) receptor N terminus provides a structural constraint for C5a docking. J Biol Chem (2006) 0.80
Alternate binding mode of C-terminal phenethylamine analogs of G(t)alpha(340-350) to photoactivated rhodopsin. Chem Biol Drug Des (2006) 0.80
A comprehensive structure-function map of the intracellular surface of the human C5a receptor. II. Elucidation of G protein specificity determinants. J Biol Chem (2006) 0.80
Expressed protein ligation to study protein interactions: semi-synthesis of the G-protein alpha subunit. Protein Pept Lett (2005) 0.80
A Drosophila functional evaluation of candidates from human genome-wide association studies of type 2 diabetes and related metabolic traits identifies tissue-specific roles for dHHEX. BMC Genomics (2013) 0.80
Novel trihydroxamate-containing peptides: design, synthesis, and metal coordination. Biopolymers (2006) 0.80
SKATE: a docking program that decouples systematic sampling from scoring. J Comput Chem (2010) 0.80
ProVal: a protein-scoring function for the selection of native and near-native folds. Proteins (2004) 0.79
A second look at mini-protein stability: analysis of FSD-1 using circular dichroism, differential scanning calorimetry, and simulations. Biophys J (2009) 0.79
Targeting the dimerization of epidermal growth factor receptors with small-molecule inhibitors. Chem Biol Drug Des (2010) 0.79
Conformational templates for rational drug design: flexibility of cyclo(D-Pro1-Ala2-Ala3-Ala4-Ala5) in DMSO solution. J Med Chem (2007) 0.79
Molecular modeling suggests conformational scaffolds specifically targeting five subtypes of somatostatin receptors. Chem Biol Drug Des (2007) 0.79
Peptide-bond modification for metal coordination: peptides containing two hydroxamate groups. Biopolymers (2003) 0.78
Using ligand-based virtual screening to allosterically stabilize the activated state of a GPCR. Chem Biol Drug Des (2010) 0.78
Design, synthesis and QSAR studies on N-aryl heteroarylisopropanolamines, a new class of non-peptidic HIV-1 protease inhibitors. Bioorg Med Chem (2002) 0.78
3D modeling of the activated states of constitutively active mutants of rhodopsin. Biochem Biophys Res Commun (2006) 0.78
Structural models for the complex of chemotaxis inhibitory protein of Staphylococcus aureus with the C5a receptor. Biochem Biophys Res Commun (2009) 0.78
Impact of azaproline on Peptide conformation. J Org Chem (2004) 0.77
Solid-phase synthesis of methyl carboxymycobactin T 7 and analogues as potential antimycobacterial agents. Bioorg Med Chem Lett (2003) 0.77
Conformational movement of F251 contributes to the molecular mechanism of constitutive activation in the C5a receptor. Chem Biol Drug Des (2008) 0.77
Defining the interface between the C-terminal fragment of alpha-transducin and photoactivated rhodopsin. Biophys J (2007) 0.77
E2F8 is a nonreceptor activator of heterotrimeric G proteins. J Mol Signal (2007) 0.77
Complement factor 5a receptor chimeras reveal the importance of lipid-facing residues in transport competence. FEBS J (2009) 0.77
Comprehensive model of wild-type and mutant HIV-1 reverse transciptases. J Comput Aided Mol Des (2012) 0.76
A minimalistic 3D pharmacophore model for cyclopentapeptide CXCR4 antagonists. Biopolymers (2006) 0.76
Thyroid cancer: what to do after fine needle aspiration. Mo Med (2011) 0.76
Comparison of the retinitis pigmentosa mutations in rhodopsin with a functional map of the C5a receptor. Vision Res (2006) 0.76
Impact of azaproline on amide cis-trans isomerism: conformational analyses and NMR studies of model peptides including TRH analogues. J Am Chem Soc (2003) 0.76
Engineering metal complexes of chiral pentaazacrowns as privileged reverse-turn scaffolds. Chem Biol Drug Des (2007) 0.76
Helix stability of oligoglycine, oligoalanine, and oligo-β-alanine dodecamers reflected by hydrogen-bond persistence. Proteins (2014) 0.76
c[D-pro-Pro-D-pro-N-methyl-Ala] adopts a rigid conformation that serves as a scaffold to mimic reverse-turns. Biopolymers (2008) 0.75
Metal complexes of chiral pentaazacrowns as conformational templates for beta-turn recognition. J Comput Aided Mol Des (2003) 0.75
Validated ligand mapping of ACE active site. J Comput Aided Mol Des (2005) 0.75
Computational modeling of constitutively active mutants of GPCRs C5a receptor. Methods Enzymol (2010) 0.75