{"id":"https://openalex.org/W4297341035","doi":"https://doi.org/10.1021/acschembio.2c00566","title":"Probing the KRas Switch II Groove by Fluorine NMR Spectroscopy","display_name":"Probing the KRas Switch II Groove by Fluorine NMR Spectroscopy","publication_year":2022,"publication_date":"2022-09-27","ids":{"openalex":"https://openalex.org/W4297341035","doi":"https://doi.org/10.1021/acschembio.2c00566","pmid":"https://pubmed.ncbi.nlm.nih.gov/36166818","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/9594042"},"language":"en","primary_location":{"id":"doi:10.1021/acschembio.2c00566","doi":"https://doi.org/10.1021/acschembio.2c00566","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acschembio.2c00566","pdf_url":null,"source":{"id":"https://openalex.org/S118914585","display_name":"ACS Chemical Biology","issn_l":"1554-8929","issn":["1554-8929","1554-8937"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","doyens","jufo-2","ki-jl-2","medline","norway-2","poland-100","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ACS Chemical Biology","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://doi.org/10.1021/acschembio.2c00566","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5064798779","display_name":"D. Matthew Peacock","orcid":"https://orcid.org/0000-0001-8558-5535","observed_orcids":["https://orcid.org/0000-0001-8558-5535"]},"institutions":[{"id":"https://openalex.org/I180670191","display_name":"University of California, San Francisco","ror":"https://ror.org/043mz5j54","country_code":"US","type":"education","lineage":["https://openalex.org/I180670191"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"D. Matthew Peacock","raw_affiliation_strings":["Department of Cellular and Molecular Pharmacology, University of California San Francisco, San Francisco, California 94158, United States"],"raw_orcid":"https://orcid.org/0000-0001-8558-5535","affiliations":[{"raw_affiliation_string":"Department of Cellular and Molecular Pharmacology, University of California San Francisco, San Francisco, California 94158, United States","institution_ids":["https://openalex.org/I180670191"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5042841404","display_name":"Mark J. S. Kelly","orcid":"https://orcid.org/0000-0003-3209-1018","observed_orcids":["https://orcid.org/0000-0003-3209-1018"]},"institutions":[{"id":"https://openalex.org/I180670191","display_name":"University of California, San Francisco","ror":"https://ror.org/043mz5j54","country_code":"US","type":"education","lineage":["https://openalex.org/I180670191"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Mark J. S. Kelly","raw_affiliation_strings":["Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, California 94158, United States"],"raw_orcid":"https://orcid.org/0000-0003-3209-1018","affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, California 94158, United States","institution_ids":["https://openalex.org/I180670191"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5079376363","display_name":"Kevan M. Shokat","orcid":"https://orcid.org/0000-0001-8590-7741","observed_orcids":["https://orcid.org/0000-0001-8590-7741"]},"institutions":[{"id":"https://openalex.org/I1344073410","display_name":"Howard Hughes Medical Institute","ror":"https://ror.org/006w34k90","country_code":"US","type":"facility","lineage":["https://openalex.org/I1344073410"]},{"id":"https://openalex.org/I180670191","display_name":"University of California, San Francisco","ror":"https://ror.org/043mz5j54","country_code":"US","type":"education","lineage":["https://openalex.org/I180670191"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Kevan M. Shokat","raw_affiliation_strings":["Department of Cellular and Molecular Pharmacology, University of California San Francisco, San Francisco, California 94158, United States","Howard Hughes Medical Institute, San Francisco, California 94158, United States"],"raw_orcid":"https://orcid.org/0000-0001-8590-7741","affiliations":[{"raw_affiliation_string":"Department of Cellular and Molecular Pharmacology, University of California San Francisco, San Francisco, California 94158, United States","institution_ids":["https://openalex.org/I180670191"]},{"raw_affiliation_string":"Howard Hughes Medical Institute, San Francisco, California 94158, United States","institution_ids":["https://openalex.org/I1344073410"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5079376363"],"corresponding_institution_ids":["https://openalex.org/I1344073410","https://openalex.org/I180670191"],"apc_list":{"value":5000,"currency":"USD","value_usd":5000},"apc_paid":{"value":5000,"currency":"USD","value_usd":5000},"fwci":0.5253,"has_fulltext":false,"cited_by_count":8,"citation_normalized_percentile":{"value":0.55094041,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":92,"max":97},"biblio":{"volume":"17","issue":"10","first_page":"2710","last_page":"2715"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10169","display_name":"Protein Kinase Regulation and GTPase Signaling","score":0.8407999873161316,"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/T10169","display_name":"Protein Kinase Regulation and GTPase Signaling","score":0.8407999873161316,"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/T11809","display_name":"Advanced NMR Techniques and Applications","score":0.0714000016450882,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"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/T11178","display_name":"Receptor Mechanisms and Signaling","score":0.008899999782443047,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/kras","display_name":"KRAS","score":0.8389999866485596},{"id":"https://openalex.org/keywords/switch-ii-pocket","display_name":"switch-II pocket","score":0.9319999814033508},{"id":"https://openalex.org/keywords/kras-g12d","display_name":"KRAS G12D","score":0.9010000228881836},{"id":"https://openalex.org/keywords/kras-g12c-inhibitors","display_name":"KRAS G12C inhibitors","score":0.8659999966621399},{"id":"https://openalex.org/keywords/19f-nmr","display_name":"19F NMR","score":0.7639999985694885},{"id":"https://openalex.org/keywords/structure-activity-relationship","display_name":"structure-activity relationship","score":0.8949999809265137}],"concepts":[{"id":"https://openalex.org/C2781187634","wikidata":"https://www.wikidata.org/wiki/Q20969980","display_name":"KRAS","level":4,"score":0.8393585681915283},{"id":"https://openalex.org/C66974803","wikidata":"https://www.wikidata.org/wiki/Q10359898","display_name":"Nuclear magnetic resonance spectroscopy","level":2,"score":0.6780794858932495},{"id":"https://openalex.org/C116447816","wikidata":"https://www.wikidata.org/wiki/Q3415253","display_name":"Fluorine-19 NMR","level":3,"score":0.6518188118934631},{"id":"https://openalex.org/C512185932","wikidata":"https://www.wikidata.org/wiki/Q28745","display_name":"Nucleotide","level":3,"score":0.5814810991287231},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5548210144042969},{"id":"https://openalex.org/C19549132","wikidata":"https://www.wikidata.org/wiki/Q11141463","display_name":"Two-dimensional nuclear magnetic resonance spectroscopy","level":2,"score":0.4849717617034912},{"id":"https://openalex.org/C2776442012","wikidata":"https://www.wikidata.org/wiki/Q2302144","display_name":"Trifluoromethyl","level":3,"score":0.45300188660621643},{"id":"https://openalex.org/C32891209","wikidata":"https://www.wikidata.org/wiki/Q483666","display_name":"Spectroscopy","level":2,"score":0.43419209122657776},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.3594825267791748},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.3022768497467041},{"id":"https://openalex.org/C501734568","wikidata":"https://www.wikidata.org/wiki/Q42918","display_name":"Mutation","level":3,"score":0.24687504768371582},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.11306047439575195},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.07911014556884766},{"id":"https://openalex.org/C2780263894","wikidata":"https://www.wikidata.org/wiki/Q335268","display_name":"Alkyl","level":2,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D005461","descriptor_name":"Fluorine","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009154","descriptor_name":"Mutation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009682","descriptor_name":"Magnetic Resonance Spectroscopy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009711","descriptor_name":"Nucleotides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011905","descriptor_name":"Genes, ras","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016283","descriptor_name":"Proto-Oncogene Proteins p21(ras)","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false}],"locations_count":5,"locations":[{"id":"doi:10.1021/acschembio.2c00566","doi":"https://doi.org/10.1021/acschembio.2c00566","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acschembio.2c00566","pdf_url":null,"source":{"id":"https://openalex.org/S118914585","display_name":"ACS Chemical Biology","issn_l":"1554-8929","issn":["1554-8929","1554-8937"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","doyens","jufo-2","ki-jl-2","medline","norway-2","poland-100","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ACS Chemical Biology","raw_type":"journal-article"},{"id":"doi:10.1101/2022.07.15.500267","doi":"https://doi.org/10.1101/2022.07.15.500267","is_oa":true,"landing_page_url":"https://doi.org/10.1101/2022.07.15.500267","pdf_url":"https://www.biorxiv.org/content/biorxiv/early/2022/07/16/2022.07.15.500267.full.pdf","source":{"id":"https://openalex.org/S4306402567","display_name":"bioRxiv (Cold Spring Harbor Laboratory)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I2750212522","host_organization_name":"Cold Spring Harbor Laboratory","host_organization_lineage":["https://openalex.org/I2750212522"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nd","license_id":"https://openalex.org/licenses/cc-by-nd","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":"bioRxiv","raw_type":"posted-content"},{"id":"pmh:oai:pubmedcentral.nih.gov:9594042","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/9594042","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ACS Chem Biol","raw_type":"Text"},{"id":"pmid:36166818","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/36166818","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":"ACS chemical biology","raw_type":"Journal Article"},{"id":"pmh:oai:escholarship.org:ark:/13030/qt0c5151gz","doi":null,"is_oa":true,"landing_page_url":"https://escholarship.org/uc/item/0c5151gz","pdf_url":null,"source":{"id":"https://openalex.org/S4306400115","display_name":"eScholarship (California Digital Library)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I2801248553","host_organization_name":"California Digital Library","host_organization_lineage":["https://openalex.org/I2801248553"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"ACS Chemical Biology, vol 17, iss 10","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1021/acschembio.2c00566","doi":"https://doi.org/10.1021/acschembio.2c00566","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acschembio.2c00566","pdf_url":null,"source":{"id":"https://openalex.org/S118914585","display_name":"ACS Chemical Biology","issn_l":"1554-8929","issn":["1554-8929","1554-8937"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","doyens","jufo-2","ki-jl-2","medline","norway-2","poland-100","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ACS Chemical Biology","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G2556436205","display_name":"Targeting the GTP-bound state of oncogenic Ras proteins","funder_award_id":"F32CA253966","funder_id":"https://openalex.org/F4320337351","funder_display_name":"National Cancer Institute"},{"id":"https://openalex.org/G3178569098","display_name":null,"funder_award_id":"5R01CA244550","funder_id":"https://openalex.org/F4320306082","funder_display_name":"Howard Hughes Medical Institute"},{"id":"https://openalex.org/G5160193792","display_name":"A 600 MHz NMR console and cryoprobe for studies of macromolecules, drug discovery and cancer biomarkers","funder_award_id":"S10OD023455","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G5874920991","display_name":"Inhibitors of the G protein GNAS which drives pancreatic tumorigenesis","funder_award_id":"R01CA244550","funder_id":"https://openalex.org/F4320337351","funder_display_name":"National Cancer Institute"},{"id":"https://openalex.org/G8600057287","display_name":"Molecular and Cellular Mechanisms in Cancer","funder_award_id":"T32CA108462","funder_id":"https://openalex.org/F4320337351","funder_display_name":"National Cancer Institute"}],"funders":[{"id":"https://openalex.org/F4320306082","display_name":"Howard Hughes Medical Institute","ror":"https://ror.org/006w34k90"},{"id":"https://openalex.org/F4320306548","display_name":"Samuel Waxman Cancer Research Foundation","ror":"https://ror.org/02qva2y28"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320332622","display_name":"University of California, San Francisco","ror":"https://ror.org/043mz5j54"},{"id":"https://openalex.org/F4320337351","display_name":"National Cancer Institute","ror":"https://ror.org/040gcmg81"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4297341035.pdf","grobid_xml":"https://content.openalex.org/works/W4297341035.grobid-xml"},"referenced_works_count":28,"referenced_works":["https://openalex.org/W1971102429","https://openalex.org/W1999350919","https://openalex.org/W2004731962","https://openalex.org/W2061565751","https://openalex.org/W2094022774","https://openalex.org/W2128339707","https://openalex.org/W2146926552","https://openalex.org/W2233032895","https://openalex.org/W2260312731","https://openalex.org/W2300615341","https://openalex.org/W2501247313","https://openalex.org/W2764265682","https://openalex.org/W2785187242","https://openalex.org/W2800484366","https://openalex.org/W2897021182","https://openalex.org/W2982321167","https://openalex.org/W2994953911","https://openalex.org/W3013377779","https://openalex.org/W3014882016","https://openalex.org/W3034504519","https://openalex.org/W3081096138","https://openalex.org/W3089129315","https://openalex.org/W3172676605","https://openalex.org/W3174662367","https://openalex.org/W3181201292","https://openalex.org/W4200173198","https://openalex.org/W4221126430","https://openalex.org/W4231423004"],"related_works":["https://openalex.org/W4221126430","https://openalex.org/W7130616514","https://openalex.org/W2293649678","https://openalex.org/W3036717159","https://openalex.org/W2290797367","https://openalex.org/W4385342928","https://openalex.org/W4390920172","https://openalex.org/W7214778992","https://openalex.org/W4307425458","https://openalex.org/W4410980363"],"abstract_inverted_index":{"ABSTRACT":[0],"While":[1],"there":[2],"has":[3],"been":[4],"recent":[5],"success":[6],"in":[7,81],"the":[8,23,43,46,61,64,85,105],"development":[9],"of":[10,34,45,57,63,75,88,104],"KRas":[11,26,35,76],"G12C":[12],"inhibitors,":[13],"unmet":[14],"needs":[15],"for":[16],"selective":[17],"inhibitors":[18],"and":[19,66],"tool":[20],"compounds":[21],"targeting":[22],"remaining":[24],"oncogenic":[25],"proteins":[27,36],"remain.":[28],"Here,":[29],"we":[30],"applied":[31],"trifluoromethyl-containing":[32],"ligands":[33,40,59],"as":[37],"competitive":[38],"probe":[39,58],"to":[41,96,99],"assay":[42,65,100],"occupancy":[44],"switch":[47],"II":[48],"pocket":[49],"by":[50],"19":[51,89],"F":[52,90],"NMR":[53,91],"spectroscopy.":[54],"Structure-activity-relationship":[55],"studies":[56],"increased":[60],"sensitivity":[62],"identified":[67],"structures":[68],"that":[69],"differentially":[70],"detected":[71],"each":[72],"nucleotide":[73,102],"state":[74],"G12D":[77],".":[78],"These":[79],"differences":[80],"selectivity,":[82],"combined":[83],"with":[84],"high":[86],"resolution":[87],"spectroscopy,":[92],"enabled":[93],"this":[94],"method":[95],"be":[97],"expanded":[98],"both":[101],"states":[103],"protein":[106],"simultaneously.":[107],"Abstract":[108],"Figure":[109]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":4}],"updated_date":"2026-11-05T12:25:35.769452","created_date":"2022-09-28T00:00:00"}