{"id":"https://openalex.org/W2512801042","doi":"https://doi.org/10.1021/acs.jcim.6b00367","title":"Molecular Mechanism of Biased Ligand Conformational Changes in CC Chemokine Receptor 7","display_name":"Molecular Mechanism of Biased Ligand Conformational Changes in CC Chemokine Receptor 7","publication_year":2016,"publication_date":"2016-08-16","ids":{"openalex":"https://openalex.org/W2512801042","doi":"https://doi.org/10.1021/acs.jcim.6b00367","mag":"2512801042","pmid":"https://pubmed.ncbi.nlm.nih.gov/27529431"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.6b00367","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.6b00367","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5064176951","display_name":"Zied Gaieb","orcid":"https://orcid.org/0000-0002-7868-5412"},"institutions":[{"id":"https://openalex.org/I103635307","display_name":"University of California, Riverside","ror":"https://ror.org/03nawhv43","country_code":"US","type":"education","lineage":["https://openalex.org/I103635307"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Zied Gaieb","raw_affiliation_strings":["Department of Bioengineering, \u2021Division of Biomedical Sciences, School of\rMedicine, University of California, Riverside, California 92521, United States"],"affiliations":[{"raw_affiliation_string":"Department of Bioengineering, \u2021Division of Biomedical Sciences, School of\rMedicine, University of California, Riverside, California 92521, United States","institution_ids":["https://openalex.org/I103635307"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5005174685","display_name":"David Lo","orcid":"https://orcid.org/0000-0002-5962-9458"},"institutions":[{"id":"https://openalex.org/I103635307","display_name":"University of California, Riverside","ror":"https://ror.org/03nawhv43","country_code":"US","type":"education","lineage":["https://openalex.org/I103635307"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"David D. Lo","raw_affiliation_strings":["Department of Bioengineering, \u2021Division of Biomedical Sciences, School of\rMedicine, University of California, Riverside, California 92521, United States"],"affiliations":[{"raw_affiliation_string":"Department of Bioengineering, \u2021Division of Biomedical Sciences, School of\rMedicine, University of California, Riverside, California 92521, United States","institution_ids":["https://openalex.org/I103635307"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5091384341","display_name":"Dimitrios Morikis","orcid":"https://orcid.org/0000-0003-0083-4665"},"institutions":[{"id":"https://openalex.org/I103635307","display_name":"University of California, Riverside","ror":"https://ror.org/03nawhv43","country_code":"US","type":"education","lineage":["https://openalex.org/I103635307"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Dimitrios Morikis","raw_affiliation_strings":["Department of Bioengineering, \u2021Division of Biomedical Sciences, School of\rMedicine, University of California, Riverside, California 92521, United States"],"affiliations":[{"raw_affiliation_string":"Department of Bioengineering, \u2021Division of Biomedical Sciences, School of\rMedicine, University of California, Riverside, California 92521, United States","institution_ids":["https://openalex.org/I103635307"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5064176951"],"corresponding_institution_ids":["https://openalex.org/I103635307"],"apc_list":null,"apc_paid":null,"fwci":1.3338,"has_fulltext":false,"cited_by_count":14,"citation_normalized_percentile":{"value":0.81492205,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"56","issue":"9","first_page":"1808","last_page":"1822"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11178","display_name":"Receptor Mechanisms and Signaling","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T11178","display_name":"Receptor Mechanisms and Signaling","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11532","display_name":"Chemokine receptors and signaling","score":0.9991999864578247,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10814","display_name":"Neuropeptides and Animal Physiology","score":0.9983000159263611,"subfield":{"id":"https://openalex.org/subfields/2804","display_name":"Cellular and Molecular Neuroscience"},"field":{"id":"https://openalex.org/fields/28","display_name":"Neuroscience"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/mechanism","display_name":"Mechanism (biology)","score":0.7058873772621155},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5861876606941223},{"id":"https://openalex.org/keywords/ligand","display_name":"Ligand (biochemistry)","score":0.5802040696144104},{"id":"https://openalex.org/keywords/chemokine-receptor","display_name":"Chemokine receptor","score":0.4492262899875641},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.4473348557949066},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.4469906687736511},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.42429226636886597},{"id":"https://openalex.org/keywords/chemokine","display_name":"Chemokine","score":0.40387314558029175},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.2630040943622589},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.22460490465164185},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.12241345643997192}],"concepts":[{"id":"https://openalex.org/C89611455","wikidata":"https://www.wikidata.org/wiki/Q6804646","display_name":"Mechanism (biology)","level":2,"score":0.7058873772621155},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5861876606941223},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.5802040696144104},{"id":"https://openalex.org/C12823836","wikidata":"https://www.wikidata.org/wiki/Q24720618","display_name":"Chemokine receptor","level":4,"score":0.4492262899875641},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.4473348557949066},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.4469906687736511},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.42429226636886597},{"id":"https://openalex.org/C13373296","wikidata":"https://www.wikidata.org/wiki/Q421866","display_name":"Chemokine","level":3,"score":0.40387314558029175},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2630040943622589},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.22460490465164185},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.12241345643997192},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000072417","descriptor_name":"Protein Domains","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000072417","descriptor_name":"Protein Domains","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000072417","descriptor_name":"Protein Domains","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000494","descriptor_name":"Allosteric Regulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000494","descriptor_name":"Allosteric Regulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000494","descriptor_name":"Allosteric Regulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D054400","descriptor_name":"Receptors, CCR7","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D054400","descriptor_name":"Receptors, CCR7","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D054400","descriptor_name":"Receptors, CCR7","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D054400","descriptor_name":"Receptors, CCR7","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054400","descriptor_name":"Receptors, CCR7","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054400","descriptor_name":"Receptors, CCR7","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.6b00367","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.6b00367","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:27529431","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/27529431","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical information and modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Reduced inequalities","id":"https://metadata.un.org/sdg/10","score":0.6899999976158142}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":84,"referenced_works":["https://openalex.org/W61997153","https://openalex.org/W851028124","https://openalex.org/W1918796765","https://openalex.org/W1970613671","https://openalex.org/W1971768767","https://openalex.org/W1974365812","https://openalex.org/W1975032814","https://openalex.org/W1975734016","https://openalex.org/W1988778953","https://openalex.org/W1989096170","https://openalex.org/W1992899488","https://openalex.org/W1997340548","https://openalex.org/W2003068820","https://openalex.org/W2003566453","https://openalex.org/W2007070916","https://openalex.org/W2020601776","https://openalex.org/W2023706146","https://openalex.org/W2025002146","https://openalex.org/W2025273956","https://openalex.org/W2026395206","https://openalex.org/W2027408247","https://openalex.org/W2027790571","https://openalex.org/W2028440694","https://openalex.org/W2029479572","https://openalex.org/W2029667189","https://openalex.org/W2030533119","https://openalex.org/W2037312364","https://openalex.org/W2041877620","https://openalex.org/W2043249221","https://openalex.org/W2046927449","https://openalex.org/W2047144511","https://openalex.org/W2047567287","https://openalex.org/W2048316372","https://openalex.org/W2050333027","https://openalex.org/W2053549636","https://openalex.org/W2057267661","https://openalex.org/W2060872117","https://openalex.org/W2060874643","https://openalex.org/W2065283382","https://openalex.org/W2066414494","https://openalex.org/W2067973462","https://openalex.org/W2074615724","https://openalex.org/W2075320283","https://openalex.org/W2076949086","https://openalex.org/W2077748569","https://openalex.org/W2087663632","https://openalex.org/W2092417121","https://openalex.org/W2094777850","https://openalex.org/W2097897519","https://openalex.org/W2100729071","https://openalex.org/W2102459914","https://openalex.org/W2104477830","https://openalex.org/W2110854394","https://openalex.org/W2111373319","https://openalex.org/W2112287740","https://openalex.org/W2113139507","https://openalex.org/W2113786559","https://openalex.org/W2119199305","https://openalex.org/W2121391430","https://openalex.org/W2127322768","https://openalex.org/W2132629607","https://openalex.org/W2133402952","https://openalex.org/W2137015675","https://openalex.org/W2139923508","https://openalex.org/W2140831051","https://openalex.org/W2141205833","https://openalex.org/W2143185831","https://openalex.org/W2146933058","https://openalex.org/W2150981663","https://openalex.org/W2154128178","https://openalex.org/W2154319440","https://openalex.org/W2155201844","https://openalex.org/W2155741453","https://openalex.org/W2158266834","https://openalex.org/W2160385897","https://openalex.org/W2161189461","https://openalex.org/W2161644181","https://openalex.org/W2162109316","https://openalex.org/W2165775221","https://openalex.org/W2167857702","https://openalex.org/W2169150541","https://openalex.org/W2169279934","https://openalex.org/W4244259845","https://openalex.org/W4245744705"],"related_works":["https://openalex.org/W2289050973","https://openalex.org/W2959910393","https://openalex.org/W2130609179","https://openalex.org/W1969457460","https://openalex.org/W1496753157","https://openalex.org/W2014896342","https://openalex.org/W4230420183","https://openalex.org/W2049037034","https://openalex.org/W1980371805","https://openalex.org/W816167562"],"abstract_inverted_index":{"Biased":[0],"ligand":[1,43],"binding":[2],"to":[3,13,65,134,145,151,166],"G":[4,34],"protein-coupled":[5],"receptors":[6],"enables":[7],"functional":[8],"selectivity":[9],"of":[10,31,41,58,77,118,148,163,177],"intracellular":[11],"effectors":[12],"mediate":[14],"cellular":[15],"function.":[16],"Despite":[17],"the":[18,24,39,42,115,139,146,149,158,161,168],"significant":[19],"advances":[20],"made":[21],"in":[22,44,114,138,157,170],"characterizing":[23],"conformational":[25],"states":[26,172],"(transmembrane":[27],"helical":[28,136,155],"arrangements)":[29],"capable":[30],"discriminating":[32],"between":[33,110,129],"protein":[35],"and":[36,71,73,97,104,106,112,131,143],"arrestin":[37],"binding,":[38],"role":[40],"stabilizing":[45],"such":[46],"conformations":[47],"remains":[48],"unclear.":[49],"To":[50],"address":[51],"this":[52],"issue,":[53],"we":[54],"simulate":[55],"microsecond":[56],"dynamics":[57],"CC":[59],"chemokine":[60],"receptor":[61,150,159,169],"7":[62],"(CCR7)":[63],"bound":[64],"its":[66],"native":[67],"biased":[68,164],"ligands,":[69],"CCL19":[70],"CCL21,":[72],"detect":[74],"a":[75,107,174],"series":[76],"molecular":[78,89],"switches":[79,90],"that":[80],"are":[81],"mediated":[82],"by":[83],"various":[84],"ligand-induced":[85],"allosteric":[86,178],"events.":[87,179],"These":[88],"involve":[91],"three":[92,99],"tyrosine":[93],"residues":[94,101],"(Y112(3.32),":[95],"Y255(6.51),":[96,132],"Y288(7.39)),":[98],"phenylalanine":[100],"(F116(3.36),":[102],"F208(5.47),":[103],"F248(6.44)),":[105],"polar":[108],"interaction":[109],"Q252(6.48)":[111],"R294(7.45)":[113],"transmembrane":[116,141],"domain":[117],"CCR7.":[119],"Conformational":[120],"changes":[121],"within":[122],"these":[123],"switches,":[124],"particularly":[125],"hydrogen":[126],"bond":[127],"formation":[128],"Y112(3.32)":[130],"lead":[133],"global":[135],"movements":[137,156],"receptor's":[140],"helices":[142],"contribute":[144],"transitioning":[147],"distinct":[152],"states.":[153],"Ligand-induced":[154],"highlight":[160],"ability":[162],"ligands":[165],"stabilize":[167],"different":[171],"through":[173],"dynamic":[175],"network":[176]},"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":2},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":4},{"year":2016,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}