{"id":"https://openalex.org/W2008798213","doi":"https://doi.org/10.1021/bi802319w","title":"The Solution Structure of Bacillus anthracis Dihydrofolate Reductase Yields Insight into the Analysis of Structure\u2212Activity Relationships for Novel Inhibitors","display_name":"The Solution Structure of Bacillus anthracis Dihydrofolate Reductase Yields Insight into the Analysis of Structure\u2212Activity Relationships for Novel Inhibitors","publication_year":2009,"publication_date":"2009-03-26","ids":{"openalex":"https://openalex.org/W2008798213","doi":"https://doi.org/10.1021/bi802319w","mag":"2008798213","pmid":"https://pubmed.ncbi.nlm.nih.gov/19323450","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/2810191"},"language":"en","primary_location":{"id":"doi:10.1021/bi802319w","doi":"https://doi.org/10.1021/bi802319w","is_oa":false,"landing_page_url":"https://doi.org/10.1021/bi802319w","pdf_url":null,"source":{"id":"https://openalex.org/S104038378","display_name":"Biochemistry","issn_l":"0006-2960","issn":["0006-2960","1520-4995","1943-295X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2"],"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":"Biochemistry","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/2810191","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5091256465","display_name":"Jennifer M. Beierlein","orcid":"https://orcid.org/0000-0001-9440-3713","observed_orcids":["https://orcid.org/0000-0001-9440-3713"]},"institutions":[{"id":"https://openalex.org/I140172145","display_name":"University of Connecticut","ror":"https://ror.org/02der9h97","country_code":"US","type":"education","lineage":["https://openalex.org/I140172145"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jennifer M. Beierlein","raw_affiliation_strings":["Department of Pharmaceutical Sciences, University of Connecticut, 69 North Eagleville Road, Storrs, Connecticut 06269","Department of Pharmaceutical Sciences, University of Connecticut, 69 North Eagleville Road, Storrs, Connecticut 06269, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, University of Connecticut, 69 North Eagleville Road, Storrs, Connecticut 06269","institution_ids":["https://openalex.org/I140172145"]},{"raw_affiliation_string":"Department of Pharmaceutical Sciences, University of Connecticut, 69 North Eagleville Road, Storrs, Connecticut 06269, USA","institution_ids":["https://openalex.org/I140172145"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038680415","display_name":"Lalit Deshmukh","orcid":"https://orcid.org/0000-0001-6126-1560","observed_orcids":["https://orcid.org/0000-0001-6126-1560"]},"institutions":[{"id":"https://openalex.org/I140172145","display_name":"University of Connecticut","ror":"https://ror.org/02der9h97","country_code":"US","type":"education","lineage":["https://openalex.org/I140172145"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Lalit Deshmukh","raw_affiliation_strings":["Department of Pharmaceutical Sciences, University of Connecticut, 69 North Eagleville Road, Storrs, Connecticut 06269"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, University of Connecticut, 69 North Eagleville Road, Storrs, Connecticut 06269","institution_ids":["https://openalex.org/I140172145"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038965754","display_name":"Kathleen Mary Frey","orcid":"https://orcid.org/0000-0002-7419-8633","observed_orcids":["https://orcid.org/0000-0002-7419-8633"]},"institutions":[{"id":"https://openalex.org/I140172145","display_name":"University of Connecticut","ror":"https://ror.org/02der9h97","country_code":"US","type":"education","lineage":["https://openalex.org/I140172145"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Kathleen M. Frey","raw_affiliation_strings":["Department of Pharmaceutical Sciences, University of Connecticut, 69 North Eagleville Road, Storrs, Connecticut 06269"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, University of Connecticut, 69 North Eagleville Road, Storrs, Connecticut 06269","institution_ids":["https://openalex.org/I140172145"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5088558512","display_name":"Olga Vinogradova","orcid":"https://orcid.org/0000-0001-5101-7361","observed_orcids":["https://orcid.org/0000-0001-5101-7361"]},"institutions":[{"id":"https://openalex.org/I140172145","display_name":"University of Connecticut","ror":"https://ror.org/02der9h97","country_code":"US","type":"education","lineage":["https://openalex.org/I140172145"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Olga Vinogradova","raw_affiliation_strings":["Department of Pharmaceutical Sciences, University of Connecticut, 69 North Eagleville Road, Storrs, Connecticut 06269"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, University of Connecticut, 69 North Eagleville Road, Storrs, Connecticut 06269","institution_ids":["https://openalex.org/I140172145"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5103460438","display_name":"Amy C. Anderson","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I140172145","display_name":"University of Connecticut","ror":"https://ror.org/02der9h97","country_code":"US","type":"education","lineage":["https://openalex.org/I140172145"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Amy C. Anderson","raw_affiliation_strings":["Department of Pharmaceutical Sciences, University of Connecticut, 69 North Eagleville Road, Storrs, Connecticut 06269"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, University of Connecticut, 69 North Eagleville Road, Storrs, Connecticut 06269","institution_ids":["https://openalex.org/I140172145"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5088558512","https://openalex.org/A5103460438"],"corresponding_institution_ids":["https://openalex.org/I140172145"],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":0.6704,"has_fulltext":false,"cited_by_count":11,"citation_normalized_percentile":{"value":0.66118889,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"48","issue":"19","first_page":"4100","last_page":"4108"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.5073000192642212,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.5073000192642212,"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/T11162","display_name":"Enzyme Structure and Function","score":0.19910000264644623,"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/T11809","display_name":"Advanced NMR Techniques and Applications","score":0.15489999949932098,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/bacillus-anthracis","display_name":"Bacillus anthracis","score":0.9739999771118164},{"id":"https://openalex.org/keywords/dihydrofolate-reductase","display_name":"dihydrofolate reductase","score":1.0},{"id":"https://openalex.org/keywords/solution-structure","display_name":"solution structure","score":0.6589999794960022},{"id":"https://openalex.org/keywords/structure-activity-relationship","display_name":"structure-activity relationship","score":0.9020000100135803},{"id":"https://openalex.org/keywords/active-site-flexibility","display_name":"active site flexibility","score":0.9049999713897705},{"id":"https://openalex.org/keywords/nmr-relaxation-dynamics","display_name":"NMR relaxation dynamics","score":0.5299999713897705},{"id":"https://openalex.org/keywords/inhibitor-design","display_name":"inhibitor design","score":0.48899999260902405}],"concepts":[{"id":"https://openalex.org/C2781320022","wikidata":"https://www.wikidata.org/wiki/Q417149","display_name":"Dihydrofolate reductase","level":3,"score":0.8500261306762695},{"id":"https://openalex.org/C86756495","wikidata":"https://www.wikidata.org/wiki/Q7702931","display_name":"Ternary complex","level":3,"score":0.6826348900794983},{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.6707992553710938},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6226587295532227},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.588811993598938},{"id":"https://openalex.org/C197957613","wikidata":"https://www.wikidata.org/wiki/Q407280","display_name":"Cofactor","level":3,"score":0.5163025259971619},{"id":"https://openalex.org/C2780239966","wikidata":"https://www.wikidata.org/wiki/Q614156","display_name":"Bacillus anthracis","level":3,"score":0.5081160068511963},{"id":"https://openalex.org/C65556437","wikidata":"https://www.wikidata.org/wiki/Q766195","display_name":"Protein Data Bank (RCSB PDB)","level":2,"score":0.4930374324321747},{"id":"https://openalex.org/C2779268744","wikidata":"https://www.wikidata.org/wiki/Q407479","display_name":"Oxidoreductase","level":3,"score":0.4914616346359253},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.43159449100494385},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.4245021641254425},{"id":"https://openalex.org/C166342909","wikidata":"https://www.wikidata.org/wiki/Q845326","display_name":"Allosteric regulation","level":3,"score":0.4215097427368164},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.41351622343063354},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.4132785201072693},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.24465933442115784},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.19335123896598816},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.08207425475120544},{"id":"https://openalex.org/C523546767","wikidata":"https://www.wikidata.org/wiki/Q10876","display_name":"Bacteria","level":2,"score":0.0},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001408","descriptor_name":"Bacillus anthracis","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":true},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003460","descriptor_name":"Crystallization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"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":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009249","descriptor_name":"NADP","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013762","descriptor_name":"Tetrahydrofolate Dehydrogenase","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D013762","descriptor_name":"Tetrahydrofolate Dehydrogenase","qualifier_ui":"Q000302","qualifier_name":"isolation & purification","is_major_topic":false},{"descriptor_ui":"D013762","descriptor_name":"Tetrahydrofolate Dehydrogenase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D013762","descriptor_name":"Tetrahydrofolate Dehydrogenase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D017386","descriptor_name":"Sequence Homology, Amino Acid","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017433","descriptor_name":"Protein Structure, Secondary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020128","descriptor_name":"Inhibitory Concentration 50","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1021/bi802319w","doi":"https://doi.org/10.1021/bi802319w","is_oa":false,"landing_page_url":"https://doi.org/10.1021/bi802319w","pdf_url":null,"source":{"id":"https://openalex.org/S104038378","display_name":"Biochemistry","issn_l":"0006-2960","issn":["0006-2960","1520-4995","1943-295X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2"],"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":"Biochemistry","raw_type":"journal-article"},{"id":"pmid:19323450","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/19323450","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":"Biochemistry","raw_type":"Journal Article"},{"id":"pmh:oai:europepmc.org:1948549","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/2810191","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":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"Text"},{"id":"pmh:oai:pubmedcentral.nih.gov:2810191","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/2810191","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":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":"Biochemistry","raw_type":"Text"}],"best_oa_location":{"id":"pmh:oai:europepmc.org:1948549","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/2810191","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":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"Text"},"sustainable_development_goals":[{"score":0.4000000059604645,"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3"}],"sustainable_development_goals_aurora":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G4708468684","display_name":"Targeting Bacillus DHFR: Structural Studies and Synthesis of Inhibitors","funder_award_id":"R01AI073375","funder_id":"https://openalex.org/F4320337355","funder_display_name":"National Institute of Allergy and Infectious Diseases"}],"funders":[{"id":"https://openalex.org/F4320337355","display_name":"National Institute of Allergy and Infectious Diseases","ror":"https://ror.org/043z4tv69"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":25,"referenced_works":["https://openalex.org/W199186236","https://openalex.org/W225911406","https://openalex.org/W1589295940","https://openalex.org/W1859604672","https://openalex.org/W1980296495","https://openalex.org/W1992141937","https://openalex.org/W1993654885","https://openalex.org/W2040052193","https://openalex.org/W2053158671","https://openalex.org/W2055633870","https://openalex.org/W2066759906","https://openalex.org/W2083210953","https://openalex.org/W2087711124","https://openalex.org/W2093602451","https://openalex.org/W2093657589","https://openalex.org/W2094311039","https://openalex.org/W2096506888","https://openalex.org/W2106804749","https://openalex.org/W2114367386","https://openalex.org/W2115907331","https://openalex.org/W2121775643","https://openalex.org/W2129879061","https://openalex.org/W2169821755","https://openalex.org/W2170671445","https://openalex.org/W2787731252"],"related_works":["https://openalex.org/W2043522581","https://openalex.org/W2050941904","https://openalex.org/W2033110863","https://openalex.org/W2154768660","https://openalex.org/W2087711124","https://openalex.org/W133817388","https://openalex.org/W2158925098","https://openalex.org/W2066362126","https://openalex.org/W2029593603","https://openalex.org/W2012882130"],"abstract_inverted_index":{"There":[0],"is":[1],"a":[2,53,104,127],"significant":[3],"need":[4],"for":[5,157,164,214],"new":[6],"therapeutics":[7],"to":[8,65,122,155],"treat":[9],"infections":[10],"caused":[11],"by":[12,114],"the":[13,34,58,62,71,109,123,131,142,158,165,186,204,226,238],"biodefense":[14],"agent":[15],"Bacillus":[16],"anthracis.":[17,42],"In":[18,153],"pursuit":[19],"of":[20,49,57,61,70,108,118,130,144,185,218,240],"drug":[21],"discovery":[22],"against":[23],"this":[24,119],"organism,":[25],"we":[26,44,102],"have":[27],"developed":[28],"novel":[29],"propargyl-linked":[30,220],"inhibitors":[31,51,241],"that":[32,180,207],"target":[33],"essential":[35],"enzyme":[36,63,209],"dihydrofolate":[37],"reductase":[38],"(DHFR)":[39],"from":[40,225],"B.":[41],"Previously,":[43],"reported":[45],"an":[46,145],"initial":[47],"series":[48,217],"these":[50,219],"and":[52,68,92,134,149,175,192,196,211],"high-resolution":[54],"crystal":[55,124],"structure":[56,107,121,125,228],"ternary":[59,110,161],"complex":[60,111,168],"bound":[64],"its":[66],"cofactor":[67,135],"one":[69],"most":[72],"potent":[73],"inhibitors,":[74],"UCP120B":[75],"[Beierlein,":[76],"J.,":[77],"Frey,":[78],"K.,":[79],"Bolstad,":[80],"D.,":[81,91],"Pelphrey,":[82],"P.,":[83],"Joska,":[84],"T.,":[85],"Smith,":[86],"A.,":[87],"Priestley,":[88],"N.,":[89],"Wright,":[90],"Anderson,":[93],"A.":[94],"(2008)":[95],"J.":[96],"Med.":[97],"Chem.":[98],"51,":[99],"7532-7540].":[100],"Herein,":[101],"describe":[103],"three-dimensional":[105],"solution":[106,120,227],"as":[112,137,139],"determined":[113],"NMR.":[115],"A":[116],"comparison":[117],"reveals":[126],"general":[128],"conservation":[129],"DHFR":[132],"fold":[133],"interactions":[136],"well":[138],"differences":[140],"in":[141,178,237],"location":[143],"active":[146,205,230],"site":[147,206,231],"helix":[148],"specific":[150],"ligand":[151,182],"interactions.":[152],"addition":[154],"data":[156,163],"fully":[159],"assigned":[160],"complex,":[162],"binary":[166],"(enzyme-cofactor)":[167],"were":[169],"collected,":[170],"providing":[171],"chemical":[172],"shift":[173],"comparisons":[174],"revealing":[176],"perturbations":[177],"residues":[179],"accommodate":[181],"binding.":[183],"Dynamics":[184],"protein,":[187],"measured":[188],"using":[189],"(15)N":[190],"T(1)":[191],"T(2)":[193],"relaxation":[194],"times":[195],"{(1)H}-(15)N":[197],"heteronuclear":[198],"NOEs,":[199],"reveal":[200],"residue":[201],"flexibility":[202,232],"at":[203],"explains":[208],"inhibition":[210],"structure-activity":[212],"relationships":[213],"two":[215],"different":[216],"inhibitors.":[221],"The":[222],"information":[223],"obtained":[224],"regarding":[229],"will":[233],"be":[234],"especially":[235],"valuable":[236],"design":[239],"with":[242],"increased":[243],"potency.":[244]},"counts_by_year":[{"year":2019,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":3},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":1}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2016-06-24T00:00:00"}
