Structure modeling of all identified G protein-coupled receptors in the human genome

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Structure modeling of all identified G protein-coupled receptors in the human genome is …
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scholarly articleQ13442814

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P8978DBLP publication IDjournals/ploscb/ZhangDS06
P356DOI10.1371/JOURNAL.PCBI.0020013
P932PMC publication ID1364505
P698PubMed publication ID16485037
P5875ResearchGate publication ID7292197

P50authorJeffrey SkolnickQ17516035
P2093author name stringYang Zhang
Mark E Devries
P2860cites workFunctional role of the spatial proximity of Asp114(2.50) in TMH 2 and Asn332(7.49) in TMH 7 of the mu opioid receptorQ44351857
Ligand-selective activation of mu-oid receptor: demonstrated with deletion and single amino acid mutations of third intracellular loop domainQ44355525
Important amino acids for the function of the human MT1 melatonin receptor.Q44430766
Mutagenesis studies of the human MT2 melatonin receptorQ44491221
The ligand binding site of the formyl peptide receptor maps in the transmembrane regionQ73900183
Coordinated Up-regulation by hypoxia of adrenomedullin and one of its putative receptors (RDC-1) in cells of the rat blood-brain barrierQ74296792
Differential mechanisms of recognition and activation of interleukin-8 receptor subtypesQ77335998
Use of a disulfide cross-linking strategy to study muscarinic receptor structure and mechanisms of activationQ77808306
C5a receptor oligomerization. I. Disulfide trapping reveals oligomers and potential contact surfaces in a G protein-coupled receptorQ44497618
Structural and functional characterization of the first intracellular loop of human thromboxane A2 receptorQ44786762
Site-specific disulfide capture of agonist and antagonist peptides on the C5a receptorQ45154618
Substitutions in a homologous region of extracellular loop 2 of CXCR4 and CCR5 alter coreceptor activities for HIV-1 membrane fusion and virus entryQ45742209
Complete mutagenesis of the extracellular domain of interleukin-8 (IL-8) type A receptor identifies charged residues mediating IL-8 binding and signal transductionQ46158410
Irreversible activation of the gonadotropin-releasing hormone receptor by photoaffinity cross-linking: localization of attachment site to Cys residue in N-terminal segmentQ46970244
Species selectivity of nonpeptide antagonists of the gonadotropin-releasing hormone receptor is determined by residues in extracellular loops II and III and the amino terminusQ47448039
BUNDLE: a program for building the transmembrane domains of G-protein-coupled receptorsQ47742352
Identification and pharmacological characterization of prokineticin 2 beta as a selective ligand for prokineticin receptor 1.Q48964677
TASSER: an automated method for the prediction of protein tertiary structures in CASP6.Q51963686
A scoring function for docking ligands to low-resolution protein structures.Q51980288
Modeling the G-protein-coupled neuropeptide Y Y1 receptor agonist and antagonist binding sites.Q52043997
How Well is Enzyme Function Conserved as a Function of Pairwise Sequence Identity?Q52956083
Membrane proteinsQ57807155
Identification of Putative Sites of Interaction between the Human Formyl Peptide Receptor and G ProteinQ59942394
Two basic amino acids in the second inner loop of the interleukin-8 receptor are essential for Galpha16 couplingQ73735495
Role of the first extracellular loop in the functional activation of CCR2. The first extracellular loop contains distinct domains necessary for both agonist binding and transmembrane signalingQ22010723
Finishing the euchromatic sequence of the human genomeQ22122488
The protein structure prediction problem could be solved using the current PDB libraryQ22248093
Identification of the binding site for a novel class of CCR2b chemokine receptor antagonists: binding to a common chemokine receptor motif within the helical bundleQ22253922
The Protein Data BankQ24515306
TM-align: a protein structure alignment algorithm based on the TM-scoreQ24522708
CDD: a Conserved Domain Database for protein classificationQ24795306
Crystal structure of rhodopsin: A G protein-coupled receptorQ27625972
Structural basis of glutamate recognition by a dimeric metabotropic glutamate receptorQ27627995
Protein secondary structure prediction based on position-specific scoring matricesQ27860483
Comparative protein structure modeling of genes and genomesQ27860712
Comparative protein modelling by satisfaction of spatial restraintsQ27860866
Mapping the protein universeQ27861112
Drug discovery: a historical perspectiveQ28138834
Protein structure prediction and structural genomicsQ28190526
Identification of G protein-coupled receptor genes from the human genome sequenceQ28202262
Mapping of a ligand-binding site for the human thromboxane A2 receptor proteinQ28205029
A Method to Identify Protein Sequences That Fold into a Known Three-Dimensional StructureQ28282741
Identification of G-protein binding sites of the human interleukin-8 receptors by functional mapping of the intracellular loopsQ28295751
A binding pocket for a small molecule inhibitor of HIV-1 entry within the transmembrane helices of CCR5Q28344177
GPCRDB: an information system for G protein-coupled receptorsQ28679239
The G-protein-coupled receptors in the human genome form five main families. Phylogenetic analysis, paralogon groups, and fingerprintsQ29547321
RASMOL: biomolecular graphics for allQ29547757
Scoring function for automated assessment of protein structure template qualityQ29615862
Assembly of protein tertiary structures from fragments with similar local sequences using simulated annealing and Bayesian scoring functionsQ29616398
Protein structure prediction by global optimization of a potential energy function.Q30322315
Structural genomics and its importance for gene function analysis.Q30326344
Local energy landscape flattening: parallel hyperbolic Monte Carlo sampling of protein folding.Q30331169
TOUCHSTONE II: a new approach to ab initio protein structure predictionQ30333234
Assessment of homology-based predictions in CASP5.Q30336223
Critical assessment of methods of protein structure prediction (CASP)-round V.Q30336229
Automated structure prediction of weakly homologous proteins on a genomic scaleQ30341442
A model recognition approach to the prediction of all-helical membrane protein structure and topologyQ30420917
Automated method for modeling seven-helix transmembrane receptors from experimental dataQ30423649
What is the probability of a chance prediction of a protein structure with an rmsd of 6 A?Q30430314
High-throughput modeling of human G-protein coupled receptors: amino acid sequence alignment, three-dimensional model building, and receptor library screeningQ31063961
Development and large scale benchmark testing of the PROSPECTOR_3 threading algorithmQ31086785
PREDICT modeling and in-silico screening for G-protein coupled receptors.Q31107931
Tyrosine 220 in the 5th transmembrane domain of the neuromedin B receptor is critical for the high selectivity of the peptoid antagonist PD168368.Q31442619
Identification of a ligand binding site in the human neutrophil formyl peptide receptor using a site-specific fluorescent photoaffinity label and mass spectrometry.Q32066951
The seventh transmembrane domain of cc chemokine receptor 5 is critical for MIP-1beta binding and receptor activation: role of MET 287.Q32125508
The SWISS-PROT protein sequence data bank and its supplement TrEMBL in 1998.Q32178008
Modelling G-protein-coupled receptors for drug designQ33766736
Mutagenesis of CXCR4 identifies important domains for human immunodeficiency virus type 1 X4 isolate envelope-mediated membrane fusion and virus entry and reveals cryptic coreceptor activity for R5 isolatesQ33817249
Tertiary structure predictions on a comprehensive benchmark of medium to large size proteinsQ34187374
Prediction of structure and function of G protein-coupled receptorsQ34188824
Identification of Essential Residues Involved in the Allosteric Modulation of the Human A3Adenosine ReceptorQ34190610
Regulation of corticotropin-releasing hormone in vitroQ34241345
SPICKER: a clustering approach to identify near-native protein foldsQ34304367
Determining the environment of the ligand binding pocket of the human angiotensin II type I (hAT1) receptor using the methionine proximity assay.Q34418452
Four amino acid residues are critical for high affinity binding of neuromedin B to the neuromedin B receptorQ34472389
The binding site of aminergic G protein-coupled receptors: the transmembrane segments and second extracellular loopQ34504076
Rhodopsin crystal: new template yielding realistic models of G-protein-coupled receptors?Q35033301
Modeling the 3D structure of GPCRs: advances and application to drug discoveryQ35166029
Architecture of P2Y nucleotide receptors: structural comparison based on sequence analysis, mutagenesis, and homology modeling.Q36201452
Exploring distal regions of the A3 adenosine receptor binding site: sterically constrained N6-(2-phenylethyl)adenosine derivatives as potent ligands.Q36342342
Optimal bundling of transmembrane helices using sparse distance constraintsQ36526243
Site-directed mutagenesis of cysteinyl and serine residues of human thromboxane A2 receptor in insect cellsQ36823316
G protein-coupled receptors: in silico drug discovery in 3D.Q37388375
Expression and functional characterization of mutant human CXCR4 in insect cells: role of cysteinyl and negatively charged residues in ligand bindingQ38316857
Analysis of the third transmembrane domain of the human type 1 angiotensin II receptor by cysteine scanning mutagenesisQ38336040
Constitutive activation of the angiotensin II type 1 receptor alters the spatial proximity of transmembrane 7 to the ligand-binding pocketQ38352900
Role of the first and third extracellular domains of CXCR-4 in human immunodeficiency virus coreceptor activityQ38920578
Amino-terminal substitutions in the CCR5 coreceptor impair gp120 binding and human immunodeficiency virus type 1 entryQ38977702
Characterization of sequence determinants within the carboxyl-terminal domain of chemokine receptor CCR5 that regulate signaling and receptor internalizationQ39147310
Role of the amino-terminal extracellular domain of CXCR-4 in human immunodeficiency virus type 1 entryQ39355101
Regions in beta-chemokine receptors CCR5 and CCR2b that determine HIV-1 cofactor specificityQ39413074
The second extracellular loop of CCR5 is the major determinant of ligand specificity.Q39427062
CXCR4 sequences involved in coreceptor determination of human immunodeficiency virus type-1 tropism. Unmasking of activity with M-tropic Env glycoproteinsQ39577767
Alanine substitutions of polar and nonpolar residues in the amino-terminal domain of CCR5 differently impair entry of macrophage- and dualtropic isolates of human immunodeficiency virus type 1.Q39579651
Agonist-induced conformational changes in thyrotropin-releasing hormone receptor type I: disulfide cross-linking and molecular modeling approaches.Q40458709
Specific cross-linking of Lys233 and Cys235 in the mu opioid receptor by a reporter affinity label.Q40458735
Site-directed mutagenesis of CC chemokine receptor 1 reveals the mechanism of action of UCB 35625, a small molecule chemokine receptor antagonist.Q40467514
Comparative agonist/antagonist responses in mutant human C5a receptors define the ligand binding site.Q40468378
Site-directed mutagenesis of CCR2 identified amino acid residues in transmembrane helices 1, 2, and 7 important for MCP-1 binding and biological functions.Q40475616
Molecular modeling of human MT2 melatonin receptor: the role of Val204, Leu272 and Tyr298 in ligand binding.Q40496239
Locating ligand-binding sites in 7TM receptors by protein engineering.Q40535098
Identification of amino acid residues crucial for chemokine receptor dimerization.Q40600436
CCR2: characterization of the antagonist binding site from a combined receptor modeling/mutagenesis approachQ40638101
Alanine scanning mutagenesis of CCR3 reveals that the three intracellular loops are essential for functional receptor expressionQ40741689
Structural determinants of CCR5 recognition and HIV-1 blockade in RANTES.Q40796177
Interleukin 8, neutrophil-activating peptide-2 and GRO-alpha bind to and elicit cell activation via specific and different amino acid residues of CXCR2.Q40850596
Mutagenic analysis of platelet thromboxane receptor cysteines. Roles in ligand binding and receptor-effector couplingQ41216013
Partial functional mapping of the human interleukin-8 type A receptor. Identification of a major ligand binding domainQ41528501
Accurate reconstruction of all-atom protein representations from side-chain-based low-resolution modelsQ41755871
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.Q42819583
Serine residues 110 and 114 are required for agonist binding but not antagonist binding to the melatonin MT(1) receptorQ43575330
Conformational changes that occur during M3 muscarinic acetylcholine receptor activation probed by the use of an in situ disulfide cross-linking strategyQ43792236
Use of an in situ disulfide cross-linking strategy to map proximities between amino acid residues in transmembrane domains I and VII of the M3 muscarinic acetylcholine receptorQ44022510
Identification of cysteines involved in ligand binding to the human melatonin MT(2) receptorQ44090372
Protein-based virtual screening of chemical databases. II. Are homology models of G-Protein Coupled Receptors suitable targets?Q44242205
The fourth transmembrane segment forms the interface of the dopamine D2 receptor homodimer.Q44259028
Identification of residues important for ligand binding of thromboxane A2 receptor in the second extracellular loop using the NMR experiment-guided mutagenesis approachQ44292843
Opioid receptor random mutagenesis reveals a mechanism for G protein-coupled receptor activationQ44342096
Exploring deltorphin II binding to the third extracellular loop of the delta-opioid receptorQ44344725
P275copyright licenseCreative Commons Attribution 4.0 InternationalQ20007257
P6216copyright statuscopyrightedQ50423863
P433issue2
P407language of work or nameEnglishQ1860
P921main subjectprotein structureQ735188
G protein-coupled receptorQ38173
P304page(s)e13
P577publication date2006-02-17
P1433published inPLOS Computational BiologyQ2635829
P1476titleStructure modeling of all identified G protein-coupled receptors in the human genome
P478volume2

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cites work (P2860)
Q42037742A generalized born implicit-membrane representation compared to experimental insertion free energies.
Q37578268Advances in the Development and Application of Computational Methodologies for Structural Modeling of G-Protein Coupled Receptors.
Q30371911Alpha-helical topology prediction and generation of distance restraints in membrane proteins.
Q38089807An overview of recent developments in GPCR modelling: methods and validation
Q36859642Are predicted protein structures of any value for binding site prediction and virtual ligand screening?
Q30412875Automated protein structure modeling with SWISS-MODEL Workspace and the Protein Model Portal
Q34040043BSP-SLIM: a blind low-resolution ligand-protein docking approach using predicted protein structures
Q30369481Benchmarking of TASSER_2.0: an improved protein structure prediction algorithm with more accurate predicted contact restraints
Q24658283Binding modes of CCR5-targetting HIV entry inhibitors: partial and full antagonists
Q46885886Biochemistry. Signaling across the cell membrane
Q37429729Chemokine receptors and other G protein-coupled receptors
Q37700209Cholesterol modulates the dimer interface of the β₂-adrenergic receptor via cholesterol occupancy sites
Q37385132Comparative analysis of GPCR crystal structures
Q35048508Comprehensive RNA-Seq expression analysis of sensory ganglia with a focus on ion channels and GPCRs in Trigeminal ganglia
Q30380431Computational analysis of membrane proteins: the largest class of drug targets.
Q26995693Computational modeling of membrane proteins
Q30361594Computational prediction of atomic structures of helical membrane proteins aided by EM maps.
Q37952425Computational studies of membrane proteins: models and predictions for biological understanding
Q89518414Conformational plasticity of ligand-bound and ternary GPCR complexes studied by 19F NMR of the β1-adrenergic receptor
Q28533596Differential mechanisms of activation of the Ang peptide receptors AT1, AT2, and MAS: using in silico techniques to differentiate the three receptors
Q30401700Discrimination of Native-like States of Membrane Proteins with Implicit Membrane-based Scoring Functions.
Q34049826Do crystal structures obviate the need for theoretical models of GPCRs for structure-based virtual screening?
Q48590212Docking studies of novel pyrazinopyridoindoles class of antihistamines with the homology modelled H(1)-receptor.
Q39121106Endothelial progenitor cells: Exploring the pleiotropic effects of statins
Q35188834Enhanced Inter-helical Residue Contact Prediction in Transmembrane Proteins
Q34265152FINDSITE(X): a structure-based, small molecule virtual screening approach with application to all identified human GPCRs
Q60956605FSHR Trans-Activation and Oligomerization
Q30390297FoldGPCR: structure prediction protocol for the transmembrane domain of G protein-coupled receptors from class A.
Q26829909G protein regulation of neuronal calcium channels: back to the future
Q30437388GPCR 3D homology models for ligand screening: lessons learned from blind predictions of adenosine A2a receptor complex
Q55564362GPCR Conformations: Implications for Rational Drug Design.
Q34485830GPCR-I-TASSER: A Hybrid Approach to G Protein-Coupled Receptor Structure Modeling and the Application to the Human Genome
Q33909144GPCR-SSFE: a comprehensive database of G-protein-coupled receptor template predictions and homology models
Q34413389GPCRRD: G protein-coupled receptor spatial restraint database for 3D structure modeling and function annotation
Q59042560GPCRs: Lipid-Dependent Membrane Receptors That Act as Drug Targets
Q46623168Ggamma1 + Ggamma2 not equal to Gbeta: heterotrimeric G protein Ggamma-deficient mutants do not recapitulate all phenotypes of Gbeta-deficient mutants.
Q24657484High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor
Q35172794High-resolution modeling of transmembrane helical protein structures from distant homologues
Q24605680I-TASSER: a unified platform for automated protein structure and function prediction
Q64066927Identification and Characterization of a Luteinizing Hormone Receptor (LHR) Homolog from the Chinese Mitten Crab
Q39865678Identification and functional analysis of novel variants of the human melanocortin 1 receptor found in melanoma patients.
Q33264967Identification of a gonadotropin-releasing hormone receptor orthologue in Caenorhabditis elegans
Q36922640Identification of novel arthropod vector G protein-coupled receptors
Q33415692Improving consensus structure by eliminating averaging artifacts
Q47094111Improving virtual screening of G protein-coupled receptors via ligand-directed modeling.
Q34735557In silico study on binding specificity of gonadotropins and their receptors: design of a novel and selective peptidomimetic for human follicle stimulating hormone receptor.
Q46724888Internet resources in GPCR modelling.
Q33347810Ligand-binding pocket shape differences between sphingosine 1-phosphate (S1P) receptors S1P1 and S1P3 determine efficiency of chemical probe identification by ultrahigh-throughput screening
Q50698696MC1R: three novel variants identified in a malignant melanoma association study in the Spanish population.
Q46664794Melatonin potentiates rod signals to ON type bipolar cells in fish retina.
Q30424545Membrane protein native state discrimination by implicit membrane models
Q48178221Model quality assessment for membrane proteins
Q57207084Modeling and Validation of Transmembrane Protein Structures
Q39310535Modeling of mammalian olfactory receptors and docking of odorants
Q50854147Modeling the interactions between MC2R and ACTH models from human.
Q51603697Molecular Modelling of G Protein-Coupled Receptors Through the Web.
Q42754544Molecular dynamics simulations on the Tre1 G protein-coupled receptor: exploring the role of the arginine of the NRY motif in Tre1 structure
Q38845232Molecular recognition in the sphingosine 1-phosphate receptor family
Q48286361NOBEL 2012 Chemistry: Studies of a ubiquitous receptor family.
Q50596439OMPcontact: An Outer Membrane Protein Inter-Barrel Residue Contact Prediction Method.
Q62599579Open-Boundary Molecular Mechanics/Coarse-Grained Framework for Simulations of Low-Resolution G-Protein-Coupled Receptor-Ligand Complexes
Q33732145Optimizing structural modeling for a specific protein scaffold: knottins or inhibitor cystine knots
Q30379331Performance of the Pro-sp3-TASSER server in CASP8
Q41295163Phenotypic effects of Ehlers-Danlos syndrome-associated mutation on the FnIII domain of tenascin-X.
Q30377334PoLi: A Virtual Screening Pipeline Based on Template Pocket and Ligand Similarity.
Q30374712Prediction of membrane protein structures with complex topologies using limited constraints
Q30375840Protein structure prediction: when is it useful?
Q37304442Q-Dock: Low-resolution flexible ligand docking with pocket-specific threading restraints
Q34607766RETRACTED: Structural basis for nucleotide exchange on G alpha i subunits and receptor coupling specificity
Q43103617RHYTHM--a server to predict the orientation of transmembrane helices in channels and membrane-coils
Q28548290RNA-Seq Analysis of Human Trigeminal and Dorsal Root Ganglia with a Focus on Chemoreceptors
Q33477573Signal transduction profiling using label-free biosensors
Q42712396Simplified modeling approach suggests structural mechanisms for constitutive activation of the C5a receptor
Q44431073Site-directed mutagenesis and PBAN activation of the Helicoverpa zea PBAN-receptor.
Q26783016Structural Studies of G Protein-Coupled Receptors
Q28469177Structural descriptors of gp120 V3 loop for the prediction of HIV-1 coreceptor usage
Q57015852Structure and Modeling of GPCRs: Implications for Drug Discovery
Q33736866Structure prediction of the second extracellular loop in G-protein-coupled receptors
Q34023834The E92K melanocortin 1 receptor mutant induces cAMP production and arrestin recruitment but not ERK activity indicating biased constitutive signaling
Q44339249The full-length mu-opioid receptor: a conformational study by circular dichroism in trifluoroethanol and membrane-mimetic environments
Q35264433The significance of G protein-coupled receptor crystallography for drug discovery
Q36023705Toward high-resolution prediction and design of transmembrane helical protein structures
Q30352431Transmembrane protein alignment and fold recognition based on predicted topology
Q64068088Understanding Ligand Binding to G-Protein Coupled Receptors Using Multiscale Simulations
Q36716343patGPCR: a multitemplate approach for improving 3D structure prediction of transmembrane helices of G-protein-coupled receptors

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