{"id":"https://openalex.org/W2147017754","doi":"https://doi.org/10.1074/jbc.m113.517987","title":"Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network","display_name":"Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network","publication_year":2014,"publication_date":"2014-01-15","ids":{"openalex":"https://openalex.org/W2147017754","doi":"https://doi.org/10.1074/jbc.m113.517987","mag":"2147017754","pmid":"https://pubmed.ncbi.nlm.nih.gov/24425867","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/3945341"},"language":"en","primary_location":{"id":"doi:10.1074/jbc.m113.517987","doi":"https://doi.org/10.1074/jbc.m113.517987","is_oa":true,"landing_page_url":"https://doi.org/10.1074/jbc.m113.517987","pdf_url":"http://www.jbc.org/article/S0021925820444977/pdf","source":{"id":"https://openalex.org/S140251998","display_name":"Journal of Biological Chemistry","issn_l":"0021-9258","issn":["0021-9258","1067-8816","1083-351X"],"is_oa":false,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","cwts-core","doaj","dongbi-b","doyens","jufo-2","ki-jl-2","medline","norway-2","poland-100","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Biological Chemistry","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"http://www.jbc.org/article/S0021925820444977/pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5081706069","display_name":"Shu Xu","orcid":"https://orcid.org/0000-0002-6876-7991","observed_orcids":["https://orcid.org/0000-0002-6876-7991"]},"institutions":[{"id":"https://openalex.org/I200719446","display_name":"Vanderbilt University","ror":"https://ror.org/02vm5rt34","country_code":"US","type":"education","lineage":["https://openalex.org/I200719446"]},{"id":"https://openalex.org/I4390039299","display_name":"Vanderbilt-Ingram Cancer Center","ror":"https://ror.org/02rjj2m04","country_code":"US","type":"healthcare","lineage":["https://openalex.org/I4210162197","https://openalex.org/I4390039299","https://openalex.org/I901861585"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Shu Xu","raw_affiliation_strings":["A. B. Hancock Jr. Memorial Laboratory for Cancer Research, Departments of Biochemistry, Chemistry, and Pharmacology, Vanderbilt Institute of Chemical Biology, Center in Molecular Toxicology, Vanderbilt-Ingram Cancer Center, Vanderbilt University School of Medicine, Nashville, Tennessee 37232","Vanderbilt University, Nashville, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"A. B. Hancock Jr. Memorial Laboratory for Cancer Research, Departments of Biochemistry, Chemistry, and Pharmacology, Vanderbilt Institute of Chemical Biology, Center in Molecular Toxicology, Vanderbilt-Ingram Cancer Center, Vanderbilt University School of Medicine, Nashville, Tennessee 37232","institution_ids":["https://openalex.org/I200719446","https://openalex.org/I4390039299"]},{"raw_affiliation_string":"Vanderbilt University, Nashville, United States","institution_ids":["https://openalex.org/I200719446"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054872858","display_name":"Daniel\u00a0J. Hermanson","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I200719446","display_name":"Vanderbilt University","ror":"https://ror.org/02vm5rt34","country_code":"US","type":"education","lineage":["https://openalex.org/I200719446"]},{"id":"https://openalex.org/I4390039299","display_name":"Vanderbilt-Ingram Cancer Center","ror":"https://ror.org/02rjj2m04","country_code":"US","type":"healthcare","lineage":["https://openalex.org/I4210162197","https://openalex.org/I4390039299","https://openalex.org/I901861585"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Daniel J. Hermanson","raw_affiliation_strings":["A. B. Hancock Jr. Memorial Laboratory for Cancer Research, Departments of Biochemistry, Chemistry, and Pharmacology, Vanderbilt Institute of Chemical Biology, Center in Molecular Toxicology, Vanderbilt-Ingram Cancer Center, Vanderbilt University School of Medicine, Nashville, Tennessee 37232","Vanderbilt University, Nashville, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"A. B. Hancock Jr. Memorial Laboratory for Cancer Research, Departments of Biochemistry, Chemistry, and Pharmacology, Vanderbilt Institute of Chemical Biology, Center in Molecular Toxicology, Vanderbilt-Ingram Cancer Center, Vanderbilt University School of Medicine, Nashville, Tennessee 37232","institution_ids":["https://openalex.org/I200719446","https://openalex.org/I4390039299"]},{"raw_affiliation_string":"Vanderbilt University, Nashville, United States","institution_ids":["https://openalex.org/I200719446"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5068138213","display_name":"Surajit Banerjee","orcid":"https://orcid.org/0000-0002-9414-7163","observed_orcids":["https://orcid.org/0000-0002-9414-7163"]},"institutions":[{"id":"https://openalex.org/I1282105669","display_name":"Argonne National Laboratory","ror":"https://ror.org/05gvnxz63","country_code":"US","type":"facility","lineage":["https://openalex.org/I1282105669","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I40347166"]},{"id":"https://openalex.org/I205783295","display_name":"Cornell University","ror":"https://ror.org/05bnh6r87","country_code":"US","type":"education","lineage":["https://openalex.org/I205783295"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Surajit Banerjee","raw_affiliation_strings":["Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853; Northeastern Collaborative Access Team, Argonne National Laboratory, Argonne, Illinois 60439","Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853","Northeastern Collaborative Access Team, Argonne National Laboratory, Argonne, Illinois 60439"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853; Northeastern Collaborative Access Team, Argonne National Laboratory, Argonne, Illinois 60439","institution_ids":["https://openalex.org/I1282105669","https://openalex.org/I205783295"]},{"raw_affiliation_string":"Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853","institution_ids":["https://openalex.org/I205783295"]},{"raw_affiliation_string":"Northeastern Collaborative Access Team, Argonne National Laboratory, Argonne, Illinois 60439","institution_ids":["https://openalex.org/I1282105669"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5032664464","display_name":"Kebreab Ghebreselasie","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I200719446","display_name":"Vanderbilt University","ror":"https://ror.org/02vm5rt34","country_code":"US","type":"education","lineage":["https://openalex.org/I200719446"]},{"id":"https://openalex.org/I4390039299","display_name":"Vanderbilt-Ingram Cancer Center","ror":"https://ror.org/02rjj2m04","country_code":"US","type":"healthcare","lineage":["https://openalex.org/I4210162197","https://openalex.org/I4390039299","https://openalex.org/I901861585"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Kebreab Ghebreselasie","raw_affiliation_strings":["A. B. Hancock Jr. Memorial Laboratory for Cancer Research, Departments of Biochemistry, Chemistry, and Pharmacology, Vanderbilt Institute of Chemical Biology, Center in Molecular Toxicology, Vanderbilt-Ingram Cancer Center, Vanderbilt University School of Medicine, Nashville, Tennessee 37232","Vanderbilt University, Nashville, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"A. B. Hancock Jr. Memorial Laboratory for Cancer Research, Departments of Biochemistry, Chemistry, and Pharmacology, Vanderbilt Institute of Chemical Biology, Center in Molecular Toxicology, Vanderbilt-Ingram Cancer Center, Vanderbilt University School of Medicine, Nashville, Tennessee 37232","institution_ids":["https://openalex.org/I200719446","https://openalex.org/I4390039299"]},{"raw_affiliation_string":"Vanderbilt University, Nashville, United States","institution_ids":["https://openalex.org/I200719446"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090150169","display_name":"Gina M. Clayton","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I87216513","display_name":"Michigan State University","ror":"https://ror.org/05hs6h993","country_code":"US","type":"education","lineage":["https://openalex.org/I87216513"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Gina M. Clayton","raw_affiliation_strings":["Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing, Michigan 48824"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing, Michigan 48824","institution_ids":["https://openalex.org/I87216513"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5022848741","display_name":"R. Michael Garavito","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I87216513","display_name":"Michigan State University","ror":"https://ror.org/05hs6h993","country_code":"US","type":"education","lineage":["https://openalex.org/I87216513"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"R. Michael Garavito","raw_affiliation_strings":["Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing, Michigan 48824"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing, Michigan 48824","institution_ids":["https://openalex.org/I87216513"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5089031929","display_name":"Lawrence J. Marnett","orcid":"https://orcid.org/0000-0002-7834-6285","observed_orcids":["https://orcid.org/0000-0002-7834-6285"]},"institutions":[{"id":"https://openalex.org/I200719446","display_name":"Vanderbilt University","ror":"https://ror.org/02vm5rt34","country_code":"US","type":"education","lineage":["https://openalex.org/I200719446"]},{"id":"https://openalex.org/I4390039299","display_name":"Vanderbilt-Ingram Cancer Center","ror":"https://ror.org/02rjj2m04","country_code":"US","type":"healthcare","lineage":["https://openalex.org/I4210162197","https://openalex.org/I4390039299","https://openalex.org/I901861585"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Lawrence J. Marnett","raw_affiliation_strings":["A. B. Hancock Jr. Memorial Laboratory for Cancer Research, Departments of Biochemistry, Chemistry, and Pharmacology, Vanderbilt Institute of Chemical Biology, Center in Molecular Toxicology, Vanderbilt-Ingram Cancer Center, Vanderbilt University School of Medicine, Nashville, Tennessee 37232. Electronic address: larry.marnett@vanderbilt.edu","Vanderbilt University, Nashville, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"A. B. Hancock Jr. Memorial Laboratory for Cancer Research, Departments of Biochemistry, Chemistry, and Pharmacology, Vanderbilt Institute of Chemical Biology, Center in Molecular Toxicology, Vanderbilt-Ingram Cancer Center, Vanderbilt University School of Medicine, Nashville, Tennessee 37232. Electronic address: larry.marnett@vanderbilt.edu","institution_ids":["https://openalex.org/I200719446","https://openalex.org/I4390039299"]},{"raw_affiliation_string":"Vanderbilt University, Nashville, United States","institution_ids":["https://openalex.org/I200719446"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5089031929"],"corresponding_institution_ids":["https://openalex.org/I200719446","https://openalex.org/I4390039299"],"apc_list":{"value":3430,"currency":"USD","value_usd":3430},"apc_paid":{"value":3430,"currency":"USD","value_usd":3430},"fwci":5.3281,"has_fulltext":true,"cited_by_count":125,"citation_normalized_percentile":{"value":0.96215621,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":94,"max":100},"biblio":{"volume":"289","issue":"10","first_page":"6799","last_page":"6808"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10678","display_name":"Inflammatory mediators and NSAID effects","score":0.7935000061988831,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T10678","display_name":"Inflammatory mediators and NSAID effects","score":0.7935000061988831,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"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/T11162","display_name":"Enzyme Structure and Function","score":0.10329999774694443,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10798","display_name":"Crystallography and molecular interactions","score":0.013899999670684338,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/oxicams","display_name":"oxicams","score":0.9980000257492065},{"id":"https://openalex.org/keywords/cyclooxygenase","display_name":"cyclooxygenase","score":0.8100000023841858},{"id":"https://openalex.org/keywords/cyclooxygenase-2","display_name":"cyclooxygenase-2","score":0.8389999866485596},{"id":"https://openalex.org/keywords/cox-1","display_name":"cyclooxygenase-1","score":0.9919999837875366},{"id":"https://openalex.org/keywords/meloxicam","display_name":"meloxicam","score":0.9200000166893005},{"id":"https://openalex.org/keywords/isoxicam","display_name":"isoxicam","score":0.9990000128746033},{"id":"https://openalex.org/keywords/nonsteroidal-anti-inflammatory-drugs","display_name":"nonsteroidal anti-inflammatory drugs","score":0.9210000038146973},{"id":"https://openalex.org/keywords/drug-binding-mode","display_name":"drug binding mode","score":0.6679999828338623},{"id":"https://openalex.org/keywords/water-mediated-hydrogen-bonds","display_name":"water-mediated hydrogen bonding","score":0.7720000147819519},{"id":"https://openalex.org/keywords/active-site","display_name":"active site","score":0.32899999618530273},{"id":"https://openalex.org/keywords/carboxamides","display_name":"carboxamides","score":0.6629999876022339},{"id":"https://openalex.org/keywords/binding-pocket","display_name":"binding pocket","score":0.5199999809265137},{"id":"https://openalex.org/keywords/cox-2-selectivity","display_name":"COX-2 selectivity","score":0.8180000185966492},{"id":"https://openalex.org/keywords/crystal-structure","display_name":"crystal structure","score":0.5379999876022339}],"concepts":[{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.6703625917434692},{"id":"https://openalex.org/C2779689624","wikidata":"https://www.wikidata.org/wiki/Q410251","display_name":"Cyclooxygenase","level":3,"score":0.6107488870620728},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5714422464370728},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.24937906861305237},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.12155216932296753},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.11184760928153992}],"mesh":[{"descriptor_ui":"D000077239","descriptor_name":"Meloxicam","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000894","descriptor_name":"Anti-Inflammatory Agents, Non-Steroidal","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D000894","descriptor_name":"Anti-Inflammatory Agents, Non-Steroidal","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001120","descriptor_name":"Arginine","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D001120","descriptor_name":"Arginine","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D001120","descriptor_name":"Arginine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","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":"D007930","descriptor_name":"Leucine","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D007930","descriptor_name":"Leucine","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D007930","descriptor_name":"Leucine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D009154","descriptor_name":"Mutation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010894","descriptor_name":"Piroxicam","qualifier_ui":"Q000031","qualifier_name":"analogs & derivatives","is_major_topic":true},{"descriptor_ui":"D010894","descriptor_name":"Piroxicam","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010894","descriptor_name":"Piroxicam","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D012694","descriptor_name":"Serine","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D012694","descriptor_name":"Serine","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012694","descriptor_name":"Serine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013843","descriptor_name":"Thiazines","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D013843","descriptor_name":"Thiazines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013844","descriptor_name":"Thiazoles","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D013844","descriptor_name":"Thiazoles","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014443","descriptor_name":"Tyrosine","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D014443","descriptor_name":"Tyrosine","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D014443","descriptor_name":"Tyrosine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016861","descriptor_name":"Cyclooxygenase Inhibitors","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D016861","descriptor_name":"Cyclooxygenase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017433","descriptor_name":"Protein Structure, Secondary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019943","descriptor_name":"Amino Acid Substitution","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D051379","descriptor_name":"Mice","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D051545","descriptor_name":"Cyclooxygenase 1","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D051545","descriptor_name":"Cyclooxygenase 1","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D051545","descriptor_name":"Cyclooxygenase 1","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D051546","descriptor_name":"Cyclooxygenase 2","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D051546","descriptor_name":"Cyclooxygenase 2","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D051546","descriptor_name":"Cyclooxygenase 2","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1074/jbc.m113.517987","doi":"https://doi.org/10.1074/jbc.m113.517987","is_oa":true,"landing_page_url":"https://doi.org/10.1074/jbc.m113.517987","pdf_url":"http://www.jbc.org/article/S0021925820444977/pdf","source":{"id":"https://openalex.org/S140251998","display_name":"Journal of Biological Chemistry","issn_l":"0021-9258","issn":["0021-9258","1067-8816","1083-351X"],"is_oa":false,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","cwts-core","doaj","dongbi-b","doyens","jufo-2","ki-jl-2","medline","norway-2","poland-100","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Biological Chemistry","raw_type":"journal-article"},{"id":"pmh:oai:europepmc.org:3317553","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3945341","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":null,"raw_type":"Text"},{"id":"pmh:oai:pubmedcentral.nih.gov:3945341","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3945341","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"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":"J Biol Chem","raw_type":"Text"},{"id":"pmid:24425867","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/24425867","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,"listed_in":[],"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":"The Journal of biological chemistry","raw_type":"Journal Article"}],"best_oa_location":{"id":"doi:10.1074/jbc.m113.517987","doi":"https://doi.org/10.1074/jbc.m113.517987","is_oa":true,"landing_page_url":"https://doi.org/10.1074/jbc.m113.517987","pdf_url":"http://www.jbc.org/article/S0021925820444977/pdf","source":{"id":"https://openalex.org/S140251998","display_name":"Journal of Biological Chemistry","issn_l":"0021-9258","issn":["0021-9258","1067-8816","1083-351X"],"is_oa":false,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","cwts-core","doaj","dongbi-b","doyens","jufo-2","ki-jl-2","medline","norway-2","poland-100","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Biological Chemistry","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.504800021648407,"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being"}],"sustainable_development_goals_aurora":[{"score":0.8399999737739563,"id":"https://metadata.un.org/sdg/6","display_name":"Clean water and sanitation"}],"study_designs":[],"awards":[{"id":"https://openalex.org/G102163711","display_name":null,"funder_award_id":"DE\u2010 AC02\u201006CH11357","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G107546177","display_name":null,"funder_award_id":"DE- AC02-06-CH11357","funder_id":"https://openalex.org/F4320338284","funder_display_name":"Argonne National Laboratory"},{"id":"https://openalex.org/G1313983767","display_name":null,"funder_award_id":"DE-AC02","funder_id":"https://openalex.org/F4320338284","funder_display_name":"Argonne National Laboratory"},{"id":"https://openalex.org/G1509819248","display_name":null,"funder_award_id":"GM 15431","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G1664757510","display_name":null,"funder_award_id":"AC02\u201306CH11357","funder_id":"https://openalex.org/F4320338284","funder_display_name":"Argonne National Laboratory"},{"id":"https://openalex.org/G2164036156","display_name":null,"funder_award_id":"P41 GM103403","funder_id":"https://openalex.org/F4320338284","funder_display_name":"Argonne National Laboratory"},{"id":"https://openalex.org/G2287611682","display_name":null,"funder_award_id":"AC02\u201006CH11357","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"},{"id":"https://openalex.org/G2440397094","display_name":"Research Center for Pharmacology and Drug Toxicology","funder_award_id":"P50GM015431","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G262962599","display_name":null,"funder_award_id":"AC02\u201006CH11357","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G2784524989","display_name":null,"funder_award_id":"Contract DE-AC02-06CH11357","funder_id":"https://openalex.org/F4320338284","funder_display_name":"Argonne National Laboratory"},{"id":"https://openalex.org/G2899941542","display_name":"Functional Analysis of Cyclooxygenase-2","funder_award_id":"R01CA089450","funder_id":"https://openalex.org/F4320337351","funder_display_name":"National Cancer Institute"},{"id":"https://openalex.org/G3075337988","display_name":null,"funder_award_id":"06CH11357","funder_id":"https://openalex.org/F4320338284","funder_display_name":"Argonne National Laboratory"},{"id":"https://openalex.org/G3407338877","display_name":null,"funder_award_id":"P41 GM103403","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G409777406","display_name":null,"funder_award_id":"DE-AC02-06CH11357","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G4455488328","display_name":"Research Center for Pharmacology & Drug Toxicology","funder_award_id":"P01GM015431","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G4883494413","display_name":null,"funder_award_id":"DA031572","funder_id":"https://openalex.org/F4320337347","funder_display_name":"National Institute on Drug Abuse"},{"id":"https://openalex.org/G498139845","display_name":null,"funder_award_id":"DE-AC02","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"},{"id":"https://openalex.org/G5607048534","display_name":null,"funder_award_id":"DE-AC02\u201306CH11357","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G666778509","display_name":null,"funder_award_id":"GM-103403","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G6848031779","display_name":null,"funder_award_id":"06CH11357","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G6918803902","display_name":null,"funder_award_id":"06CH11357","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"},{"id":"https://openalex.org/G7827376714","display_name":"(R)-flurbiprofen Substrate-Selective Inhibition of COX-2 and Analog Development","funder_award_id":"F31DA031572","funder_id":"https://openalex.org/F4320337347","funder_display_name":"National Institute on Drug Abuse"},{"id":"https://openalex.org/G8427536113","display_name":null,"funder_award_id":"CA089450","funder_id":"https://openalex.org/F4320337351","funder_display_name":"National Cancer Institute"},{"id":"https://openalex.org/G8813180579","display_name":"NE-CAT Center for Advanced Macromolecular Crystallography","funder_award_id":"P41GM103403","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G9000119994","display_name":null,"funder_award_id":"GM103403","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G9000137775","display_name":null,"funder_award_id":"GM 15431","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G969889393","display_name":null,"funder_award_id":"DE-AC02-","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G993149817","display_name":null,"funder_award_id":"DE-AC02-06CH11357 ","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"}],"funders":[{"id":"https://openalex.org/F4320306084","display_name":"U.S. Department of Energy","ror":"https://ror.org/01bj3aw27"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320332359","display_name":"Office of Science","ror":"https://ror.org/00mmn6b08"},{"id":"https://openalex.org/F4320337347","display_name":"National Institute on Drug Abuse","ror":"https://ror.org/00fq5cm18"},{"id":"https://openalex.org/F4320337351","display_name":"National Cancer Institute","ror":"https://ror.org/040gcmg81"},{"id":"https://openalex.org/F4320337354","display_name":"National Institute of General Medical Sciences","ror":"https://ror.org/04q48ey07"},{"id":"https://openalex.org/F4320338284","display_name":"Argonne National Laboratory","ror":"https://ror.org/05gvnxz63"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2147017754.pdf","grobid_xml":"https://content.openalex.org/works/W2147017754.grobid-xml"},"referenced_works_count":42,"referenced_works":["https://openalex.org/W164235642","https://openalex.org/W1025607298","https://openalex.org/W1973393804","https://openalex.org/W1975292133","https://openalex.org/W1987212025","https://openalex.org/W1997409847","https://openalex.org/W1998497459","https://openalex.org/W2001516093","https://openalex.org/W2003545828","https://openalex.org/W2005861756","https://openalex.org/W2010311152","https://openalex.org/W2010967782","https://openalex.org/W2012066745","https://openalex.org/W2012145386","https://openalex.org/W2012344270","https://openalex.org/W2015101897","https://openalex.org/W2019177139","https://openalex.org/W2023200971","https://openalex.org/W2024001803","https://openalex.org/W2030850720","https://openalex.org/W2042715134","https://openalex.org/W2069059409","https://openalex.org/W2091027075","https://openalex.org/W2091567133","https://openalex.org/W2100439102","https://openalex.org/W2102368544","https://openalex.org/W2106430772","https://openalex.org/W2112200653","https://openalex.org/W2112845321","https://openalex.org/W2114367386","https://openalex.org/W2115350007","https://openalex.org/W2120151190","https://openalex.org/W2124026197","https://openalex.org/W2127130852","https://openalex.org/W2131458350","https://openalex.org/W2134201060","https://openalex.org/W2180229411","https://openalex.org/W2411799458","https://openalex.org/W3189083562","https://openalex.org/W4236422981","https://openalex.org/W4248872320","https://openalex.org/W6606617521"],"related_works":["https://openalex.org/W1591137357","https://openalex.org/W3095391487","https://openalex.org/W2023200971","https://openalex.org/W3217285620","https://openalex.org/W2004601559","https://openalex.org/W2015603822","https://openalex.org/W2063835987","https://openalex.org/W164235642","https://openalex.org/W2079406594","https://openalex.org/W2048670117"],"abstract_inverted_index":{"Oxicams":[0],"are":[1],"widely":[2],"used":[3],"nonsteroidal":[4],"anti-inflammatory":[5],"drugs":[6],"(NSAIDs),":[7],"but":[8],"little":[9],"is":[10,27,170],"known":[11],"about":[12],"the":[13,17,23,74,78,102,112,115,119,137,140,144,162,174,208],"molecular":[14],"basis":[15],"of":[16,31,47,63,81,114,118,136,143,159,176,184,190,211],"interaction":[18],"with":[19,49,65,89,106,123],"their":[20],"target":[21],"enzymes,":[22],"cyclooxygenases":[24],"(COX).":[25],"Isoxicam":[26],"a":[28,60,84,128,165,181],"nonselective":[29],"inhibitor":[30],"COX-1":[32,64],"and":[33,51,55,59,111,125,139,149],"COX-2":[34,48,82,212],"whereas":[35],"meloxicam":[36,52,66,198],"displays":[37],"some":[38],"selectivity":[39],"for":[40,173],"COX-2.":[41],"Here":[42],"we":[43],"report":[44],"crystal":[45,61],"complexes":[46],"isoxicam":[50],"at":[53,67],"2.0":[54],"2.45":[56],"angstroms,":[57],"respectively,":[58],"complex":[62],"2.4":[68],"angstroms.":[69],"These":[70],"structures":[71],"reveal":[72],"that":[73,188],"oxicams":[75],"bind":[76,146],"to":[77,147,192,200,207],"active":[79],"site":[80],"using":[83],"binding":[85,167,175],"pose":[86],"not":[87,171],"seen":[88],"other":[90,177],"NSAIDs":[91],"through":[92,127],"two":[93],"highly":[94,129,153],"coordinated":[95,130],"water":[96,131,155],"molecules.":[97],"The":[98,133,157],"4-hydroxyl":[99],"group":[100],"on":[101],"thiazine":[103,138],"ring":[104,117],"partners":[105],"Ser-530":[107,126],"via":[108,151],"hydrogen":[109],"bonding,":[110],"heteroatom":[113],"carboxamide":[116,145],"oxicam":[120],"scaffold":[121],"interacts":[122],"Tyr-385":[124],"molecule.":[132,156],"nitrogen":[134],"atom":[135,142],"oxygen":[141],"Arg-120":[148],"Tyr-355":[150],"another":[152],"ordered":[154],"rotation":[158],"Leu-531":[160],"in":[161],"structure":[163],"opens":[164],"novel":[166],"pocket,":[168],"which":[169],"utilized":[172],"NSAIDs.":[178],"In":[179],"addition,":[180],"detailed":[182],"study":[183],"meloxicam\u00b7COX-2":[185],"interactions":[186],"revealed":[187],"mutation":[189],"Val-434":[191],"Ile":[193],"significantly":[194],"reduces":[195],"inhibition":[196,210],"by":[197],"due":[199],"subtle":[201],"changes":[202],"around":[203],"Phe-518,":[204],"giving":[205],"rise":[206],"preferential":[209],"over":[213],"COX-1.":[214]},"counts_by_year":[{"year":2026,"cited_by_count":13},{"year":2025,"cited_by_count":11},{"year":2024,"cited_by_count":9},{"year":2023,"cited_by_count":5},{"year":2022,"cited_by_count":14},{"year":2021,"cited_by_count":13},{"year":2020,"cited_by_count":16},{"year":2019,"cited_by_count":12},{"year":2018,"cited_by_count":11},{"year":2017,"cited_by_count":6},{"year":2016,"cited_by_count":8},{"year":2015,"cited_by_count":5},{"year":2014,"cited_by_count":2}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2016-06-24T00:00:00"}