{"id":"https://openalex.org/W2114208481","doi":"https://doi.org/10.1021/ja046093s","title":"Interactions of Alkyltin Salts with Biological Dithiols: Dealkylation and Induction of a Regular \u03b2-Turn Structure in Peptides","display_name":"Interactions of Alkyltin Salts with Biological Dithiols: Dealkylation and Induction of a Regular \u03b2-Turn Structure in Peptides","publication_year":2004,"publication_date":"2004-10-19","ids":{"openalex":"https://openalex.org/W2114208481","doi":"https://doi.org/10.1021/ja046093s","mag":"2114208481","pmid":"https://pubmed.ncbi.nlm.nih.gov/15521759"},"language":"en","primary_location":{"id":"doi:10.1021/ja046093s","doi":"https://doi.org/10.1021/ja046093s","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ja046093s","pdf_url":null,"source":{"id":"https://openalex.org/S111155417","display_name":"Journal of the American Chemical Society","issn_l":"0002-7863","issn":["0002-7863","1520-5126","1943-2984"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-3","ki-jl-3","medline","norway-2","poland-200","russia-white-list-1","vabb-shw"],"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 the American Chemical Society","raw_type":"journal-article"},"volume":null,"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/A5026955640","display_name":"Bethany A. Buck\u2010Koehntop","orcid":"https://orcid.org/0000-0003-2421-7012","observed_orcids":["https://orcid.org/0000-0003-2421-7012"]},"institutions":[{"id":"https://openalex.org/I130238516","display_name":"University of Minnesota","ror":"https://ror.org/017zqws13","country_code":"US","type":"education","lineage":["https://openalex.org/I130238516"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Bethany A. Buck","raw_affiliation_strings":["Contribution from the Department of Chemistry and the Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE, Minneapolis, Minnesota 55455-0431"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Contribution from the Department of Chemistry and the Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE, Minneapolis, Minnesota 55455-0431","institution_ids":["https://openalex.org/I130238516"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5062554986","display_name":"Alessandro Mascioni","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I130238516","display_name":"University of Minnesota","ror":"https://ror.org/017zqws13","country_code":"US","type":"education","lineage":["https://openalex.org/I130238516"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Alessandro Mascioni","raw_affiliation_strings":["Contribution from the Department of Chemistry and the Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE, Minneapolis, Minnesota 55455-0431"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Contribution from the Department of Chemistry and the Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE, Minneapolis, Minnesota 55455-0431","institution_ids":["https://openalex.org/I130238516"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5048985028","display_name":"Christopher J. Cramer","orcid":"https://orcid.org/0000-0001-5048-1859","observed_orcids":["https://orcid.org/0000-0001-5048-1859","https://orcid.org/0000-0003-1792-7374"]},"institutions":[{"id":"https://openalex.org/I130238516","display_name":"University of Minnesota","ror":"https://ror.org/017zqws13","country_code":"US","type":"education","lineage":["https://openalex.org/I130238516"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Christopher J. Cramer","raw_affiliation_strings":["Contribution from the Department of Chemistry and the Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE, Minneapolis, Minnesota 55455-0431"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Contribution from the Department of Chemistry and the Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE, Minneapolis, Minnesota 55455-0431","institution_ids":["https://openalex.org/I130238516"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5009664013","display_name":"Gianluigi Veglia","orcid":"https://orcid.org/0000-0002-2795-6964","observed_orcids":["https://orcid.org/0000-0002-2795-6964","https://orcid.org/0000-0001-8789-9546"]},"institutions":[{"id":"https://openalex.org/I130238516","display_name":"University of Minnesota","ror":"https://ror.org/017zqws13","country_code":"US","type":"education","lineage":["https://openalex.org/I130238516"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Gianluigi Veglia","raw_affiliation_strings":["Contribution from the Department of Chemistry and the Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE, Minneapolis, Minnesota 55455-0431"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Contribution from the Department of Chemistry and the Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE, Minneapolis, Minnesota 55455-0431","institution_ids":["https://openalex.org/I130238516"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I130238516"],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":1.6101,"has_fulltext":false,"cited_by_count":23,"citation_normalized_percentile":{"value":0.80679662,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":96},"biblio":{"volume":"126","issue":"44","first_page":"14400","last_page":"14410"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12458","display_name":"Organometallic Compounds Synthesis and Characterization","score":0.9965999722480774,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T12458","display_name":"Organometallic Compounds Synthesis and Characterization","score":0.9965999722480774,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10790","display_name":"Heavy Metal Exposure and Toxicity","score":0.0010999999940395355,"subfield":{"id":"https://openalex.org/subfields/2307","display_name":"Health, Toxicology and Mutagenesis"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10163","display_name":"Metal complexes synthesis and properties","score":0.00039999998989515007,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/alkyltin-compounds","display_name":"alkyltin compounds","score":0.906000018119812},{"id":"https://openalex.org/keywords/trimethyltin-chloride","display_name":"trimethyltin chloride","score":0.9139999747276306},{"id":"https://openalex.org/keywords/dealkylation","display_name":"dealkylation","score":0.7429999709129333},{"id":"https://openalex.org/keywords/beta-turn-conformation","display_name":"beta-turn conformation","score":0.6759999990463257},{"id":"https://openalex.org/keywords/cysteine-coordination","display_name":"cysteine coordination","score":0.652999997138977},{"id":"https://openalex.org/keywords/tin-coordination-geometry","display_name":"tin coordination geometry","score":0.8759999871253967},{"id":"https://openalex.org/keywords/peptide-binding","display_name":"peptide binding","score":0.6100000143051147},{"id":"https://openalex.org/keywords/nmr-binding-studies","display_name":"NMR binding studies","score":0.5019999742507935},{"id":"https://openalex.org/keywords/density-functional-theory","display_name":"density functional theory","score":0.8510000109672546}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.9523025155067444},{"id":"https://openalex.org/C2779281246","wikidata":"https://www.wikidata.org/wiki/Q172847","display_name":"Peptide","level":2,"score":0.7216646671295166},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.5429049134254456},{"id":"https://openalex.org/C121349320","wikidata":"https://www.wikidata.org/wiki/Q285851","display_name":"Vicinal","level":2,"score":0.542352020740509},{"id":"https://openalex.org/C164361826","wikidata":"https://www.wikidata.org/wiki/Q177604","display_name":"Alkylation","level":3,"score":0.4802432358264923},{"id":"https://openalex.org/C103319777","wikidata":"https://www.wikidata.org/wiki/Q1979695","display_name":"Proton NMR","level":2,"score":0.4500935971736908},{"id":"https://openalex.org/C525849907","wikidata":"https://www.wikidata.org/wiki/Q1096","display_name":"Tin","level":2,"score":0.42841601371765137},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.41756439208984375},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3683411478996277},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.12593358755111694},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.10139593482017517},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000478","descriptor_name":"Alkylation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003545","descriptor_name":"Cysteine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D006863","descriptor_name":"Hydrogen-Ion Concentration","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009479","descriptor_name":"Neuropeptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D009842","descriptor_name":"Oligopeptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D009947","descriptor_name":"Organotin Compounds","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D010446","descriptor_name":"Peptide Fragments","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D012694","descriptor_name":"Serine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013438","descriptor_name":"Sulfhydryl Compounds","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014298","descriptor_name":"Trimethyltin Compounds","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D017433","descriptor_name":"Protein Structure, Secondary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019906","descriptor_name":"Nuclear Magnetic Resonance, Biomolecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021241","descriptor_name":"Spectrometry, Mass, Electrospray Ionization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/ja046093s","doi":"https://doi.org/10.1021/ja046093s","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ja046093s","pdf_url":null,"source":{"id":"https://openalex.org/S111155417","display_name":"Journal of the American Chemical Society","issn_l":"0002-7863","issn":["0002-7863","1520-5126","1943-2984"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-3","ki-jl-3","medline","norway-2","poland-200","russia-white-list-1","vabb-shw"],"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 the American Chemical Society","raw_type":"journal-article"},{"id":"pmid:15521759","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/15521759","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":"Journal of the American Chemical Society","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G1822506642","display_name":null,"funder_award_id":"GM08700","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G7760162553","display_name":"Chemistry-Biology Interface Training Grant","funder_award_id":"T32GM008700","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"}],"funders":[{"id":"https://openalex.org/F4320337354","display_name":"National Institute of General Medical Sciences","ror":"https://ror.org/04q48ey07"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":53,"referenced_works":["https://openalex.org/W92606244","https://openalex.org/W1549752709","https://openalex.org/W1561314350","https://openalex.org/W1813403671","https://openalex.org/W1964659291","https://openalex.org/W1969113341","https://openalex.org/W1972459558","https://openalex.org/W1978983024","https://openalex.org/W1979164709","https://openalex.org/W1981368803","https://openalex.org/W1985400001","https://openalex.org/W1990513053","https://openalex.org/W1994671994","https://openalex.org/W2002195659","https://openalex.org/W2012849034","https://openalex.org/W2015263019","https://openalex.org/W2017035688","https://openalex.org/W2022928795","https://openalex.org/W2025624195","https://openalex.org/W2026559115","https://openalex.org/W2027595648","https://openalex.org/W2039035988","https://openalex.org/W2040441208","https://openalex.org/W2043327592","https://openalex.org/W2045010160","https://openalex.org/W2046961900","https://openalex.org/W2047415294","https://openalex.org/W2047723975","https://openalex.org/W2049383807","https://openalex.org/W2052980405","https://openalex.org/W2053028176","https://openalex.org/W2053721311","https://openalex.org/W2054704364","https://openalex.org/W2056901986","https://openalex.org/W2068717435","https://openalex.org/W2069734146","https://openalex.org/W2072792245","https://openalex.org/W2079460619","https://openalex.org/W2087949621","https://openalex.org/W2090746589","https://openalex.org/W2091904929","https://openalex.org/W2094695671","https://openalex.org/W2109397010","https://openalex.org/W2119120682","https://openalex.org/W2139883678","https://openalex.org/W2149415761","https://openalex.org/W2158179516","https://openalex.org/W2169821755","https://openalex.org/W2321992994","https://openalex.org/W2337011191","https://openalex.org/W2949250147","https://openalex.org/W3205039858","https://openalex.org/W4249194848"],"related_works":["https://openalex.org/W2051708602","https://openalex.org/W2056198295","https://openalex.org/W2103684368","https://openalex.org/W2064979471","https://openalex.org/W2951186820","https://openalex.org/W2045154544","https://openalex.org/W2024852876","https://openalex.org/W2124412111","https://openalex.org/W4394704048","https://openalex.org/W3140413082"],"abstract_inverted_index":{"Organotin":[0],"compounds":[1],"specifically":[2],"target":[3],"vicinal":[4],"dithiols,":[5],"thereby":[6],"inhibiting":[7],"the":[8,16,34,59,63,68,72,102,127,135,157],"function":[9],"of":[10,20,130,139,160],"essential":[11],"enzymes.":[12],"Here,":[13],"we":[14],"present":[15],"NMR":[17,60,96],"binding":[18,138],"studies":[19,116],"trimethyltin":[21],"(TMT)":[22],"and":[23,49,62,83,123,137,152],"dimethyltin":[24],"(DMT)":[25],"chlorides":[26],"with":[27,108,115],"a":[28,53,76,146],"linear":[29],"peptide":[30,43,118,143],"(ILGCWCYLR)":[31],"derived":[32],"from":[33,101],"membrane":[35],"protein":[36],"stannin":[37],"(SNN).":[38],"We":[39],"show":[40],"that":[41,67],"this":[42],"is":[44],"able":[45],"to":[46],"dealkylate":[47],"TMT":[48],"bind":[50],"DMT,":[51],"adopting":[52],"stable":[54],"type-I":[55],"beta-turn":[56],"conformation.":[57],"Both":[58],"data":[61],"calculated":[64,100],"structures":[65],"indicate":[66],"two":[69],"cysteines":[70],"coordinate":[71],"tin":[73,84],"atom":[74],"in":[75,113,133],"distorted":[77],"tetrahedral":[78],"geometry.":[79],"The":[80],"molecular":[81],"geometries":[82],"coordination":[85],"state":[86],"were":[87],"confirmed":[88],"using":[89],"density":[90],"functional":[91],"theory":[92],"(DFT).":[93],"In":[94],"addition,":[95],"spectral":[97],"parameters":[98],"back":[99],"DFT":[103],"minimized":[104],"structure":[105],"compared":[106],"well":[107],"experimental":[109],"data.":[110],"These":[111],"results":[112],"conjunction":[114],"on":[117],"variants":[119],"(i.e.,":[120],"C4S,":[121],"C6S,":[122],"Y7F)":[124],"demonstrate":[125],"unequivocally":[126],"key":[128],"role":[129],"biological":[131,158],"dithiols":[132],"both":[134],"dealkylation":[136],"organotin":[140],"compounds.":[141,162],"This":[142],"serves":[144],"as":[145],"model":[147],"system":[148],"for":[149],"alkyltin-protein":[150],"interactions":[151],"gives":[153],"new":[154],"insights":[155],"into":[156],"fate":[159],"alkyltin":[161]},"counts_by_year":[{"year":2022,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2014,"cited_by_count":2},{"year":2012,"cited_by_count":1}],"updated_date":"2026-11-05T12:25:35.769452","created_date":"2016-06-24T00:00:00"}
