{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,16]],"date-time":"2026-09-16T09:00:53Z","timestamp":1789549253392,"version":"build-2803163510"},"reference-count":62,"publisher":"Royal Society of Chemistry (RSC)","issue":"2","license":[{"start":{"date-parts":[[2023,2,24]],"date-time":"2023-02-24T00:00:00Z","timestamp":1677196800000},"content-version":"vor","delay-in-days":54,"URL":"http:\/\/creativecommons.org\/licenses\/by\/3.0\/"}],"funder":[{"DOI":"10.13039\/501100004564","name":"Ministarstvo Prosvete, Nauke i Tehnolo\u0161kog Razvoja","doi-asserted-by":"publisher","award":["451-03-9\/2021-14\/200125"],"award-info":[{"award-number":["451-03-9\/2021-14\/200125"]}],"id":[{"id":"10.13039\/501100004564","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100016046","name":"Provincial Secretariat for Higher Education and Scientific Research, Autonomous Province of Vojvodina","doi-asserted-by":"publisher","award":["142-451-3177\/2020-03"],"award-info":[{"award-number":["142-451-3177\/2020-03"]}],"id":[{"id":"10.13039\/501100016046","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000780","name":"European Commission","doi-asserted-by":"publisher","award":["LX22NPO5102"],"award-info":[{"award-number":["LX22NPO5102"]}],"id":[{"id":"10.13039\/501100000780","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["RSC Med. Chem."],"abstract":"<jats:p>Steroid bile acid fused tetrazoles were screened for ability to inhibit aldo\u2013keto reductase 1C3 (AKR1C3), a target for cancer treatment. The X-ray structure of AKR1C3 in complex with a bile acid tetrazole inhibitor is presented.<\/jats:p>","DOI":"10.1039\/d2md00387b","type":"journal-article","created":{"date-parts":[[2022,12,1]],"date-time":"2022-12-01T10:41:25Z","timestamp":1669891285000},"page":"341-355","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":17,"title":["X-ray structure of human aldo\u2013keto reductase 1C3 in complex with a bile acid fused tetrazole inhibitor: experimental validation, molecular docking and structural analysis"],"prefix":"10.1039","volume":"14","author":[{"given":"Maja A.","family":"Marinovi\u0107","sequence":"first","affiliation":[{"name":"Faculty of Sciences, Department of Biology and Ecology, University of Novi Sad, Trg Dositeja Obradovi\u0107a 2, 21000 Novi Sad, Serbia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sofija S.","family":"Beki\u0107","sequence":"additional","affiliation":[{"name":"Faculty of Sciences, Department of Chemistry, Biochemistry and Environmental Protection, University of Novi Sad, Trg Dositeja Obradovi\u0107a 3, 21000 Novi Sad, Serbia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Michael","family":"Kugler","sequence":"additional","affiliation":[{"name":"Institute of Organic Chemistry and Biochemistry, The Czech Academy of Sciences, Flemingovo n\u00e1m. 2, Prague, 16610, Czech Republic"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ji\u0159\u00ed","family":"Brynda","sequence":"additional","affiliation":[{"name":"Institute of Organic Chemistry and Biochemistry, The Czech Academy of Sciences, Flemingovo n\u00e1m. 2, Prague, 16610, Czech Republic"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9579-4047","authenticated-orcid":false,"given":"Jana","family":"\u0160kerlov\u00e1","sequence":"additional","affiliation":[{"name":"Institute of Organic Chemistry and Biochemistry, The Czech Academy of Sciences, Flemingovo n\u00e1m. 2, Prague, 16610, Czech Republic"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3683-0255","authenticated-orcid":false,"given":"Du\u0161an \u0110.","family":"\u0160kori\u0107","sequence":"additional","affiliation":[{"name":"Faculty of Sciences, Department of Chemistry, Biochemistry and Environmental Protection, University of Novi Sad, Trg Dositeja Obradovi\u0107a 3, 21000 Novi Sad, Serbia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Pavl\u00edna","family":"\u0158ez\u00e1\u010dov\u00e1","sequence":"additional","affiliation":[{"name":"Institute of Organic Chemistry and Biochemistry, The Czech Academy of Sciences, Flemingovo n\u00e1m. 2, Prague, 16610, Czech Republic"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3650-1523","authenticated-orcid":false,"given":"Edward T.","family":"Petri","sequence":"additional","affiliation":[{"name":"Faculty of Sciences, Department of Biology and Ecology, University of Novi Sad, Trg Dositeja Obradovi\u0107a 2, 21000 Novi Sad, Serbia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1058-6872","authenticated-orcid":false,"given":"Andjelka S.","family":"\u0106eli\u0107","sequence":"additional","affiliation":[{"name":"Faculty of Sciences, Department of Biology and Ecology, University of Novi Sad, Trg Dositeja Obradovi\u0107a 2, 21000 Novi Sad, Serbia"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2023]]},"reference":[{"key":"D2MD00387B\/cit1\/1","doi-asserted-by":"publisher","first-page":"82","DOI":"10.1016\/j.mce.2018.07.002","volume":"489","author":"Penning","year":"2019","journal-title":"Mol. Cell. Endocrinol."},{"key":"D2MD00387B\/cit2\/1","doi-asserted-by":"publisher","first-page":"236","DOI":"10.1016\/j.cbi.2014.09.024","volume":"234","author":"Penning","year":"2015","journal-title":"Chem.-Biol. Interact."},{"issue":"2","key":"D2MD00387B\/cit3\/1","doi-asserted-by":"publisher","first-page":"447","DOI":"10.1210\/er.2018-00089","volume":"40","author":"Penning","year":"2019","journal-title":"Endocr. Rev."},{"key":"D2MD00387B\/cit4\/1","doi-asserted-by":"publisher","first-page":"136","DOI":"10.1016\/j.jsbmb.2013.05.012","volume":"137","author":"Adeniji","year":"2013","journal-title":"J. Steroid Biochem. Mol. Biol."},{"issue":"6","key":"D2MD00387B\/cit5\/1","doi-asserted-by":"publisher","first-page":"2429","DOI":"10.1021\/jm3017656","volume":"56","author":"Liedtke","year":"2013","journal-title":"J. Med. Chem."},{"key":"D2MD00387B\/cit6\/1","doi-asserted-by":"publisher","first-page":"119","DOI":"10.3389\/fphar.2017.00119","volume":"8","author":"Zeng","year":"2017","journal-title":"Front. Pharmacol."},{"issue":"7","key":"D2MD00387B\/cit7\/1","doi-asserted-by":"publisher","first-page":"1413","DOI":"10.1158\/0008-5472.CAN-14-3080","volume":"75","author":"Liu","year":"2015","journal-title":"Cancer Res."},{"issue":"1","key":"D2MD00387B\/cit8\/1","doi-asserted-by":"publisher","first-page":"35","DOI":"10.1158\/1535-7163.MCT-16-0186","volume":"16","author":"Liu","year":"2017","journal-title":"Mol. Cancer Ther."},{"issue":"8","key":"D2MD00387B\/cit9\/1","doi-asserted-by":"publisher","first-page":"1708","DOI":"10.1158\/1535-7163.MCT-20-0015","volume":"19","author":"Zhao","year":"2020","journal-title":"Mol. Cancer Ther."},{"issue":"7","key":"D2MD00387B\/cit10\/1","doi-asserted-by":"publisher","first-page":"3590","DOI":"10.1021\/acs.jmedchem.9b00090","volume":"62","author":"Verma","year":"2019","journal-title":"J. Med. Chem."},{"issue":"6","key":"D2MD00387B\/cit11\/1","doi-asserted-by":"publisher","first-page":"1506","DOI":"10.1038\/bjc.2014.83","volume":"110","author":"Khanim","year":"2014","journal-title":"Br. J. Cancer"},{"issue":"8","key":"D2MD00387B\/cit12\/1","doi-asserted-by":"publisher","first-page":"2188","DOI":"10.1021\/bi036046x","volume":"43","author":"Komoto","year":"2004","journal-title":"Biochemistry"},{"issue":"12","key":"D2MD00387B\/cit13\/1","doi-asserted-by":"publisher","first-page":"e8147","DOI":"10.1371\/journal.pone.0008147","volume":"4","author":"Khanim","year":"2009","journal-title":"PLoS One"},{"issue":"1","key":"D2MD00387B\/cit14\/1","doi-asserted-by":"publisher","first-page":"65","DOI":"10.1111\/j.1365-2141.2009.08055.x","volume":"149","author":"Murray","year":"2010","journal-title":"Br. J. Haematol."},{"issue":"7","key":"D2MD00387B\/cit15\/1","doi-asserted-by":"publisher","first-page":"985","DOI":"10.1038\/s41416-018-0014-0","volume":"118","author":"Bortolozzi","year":"2018","journal-title":"Br. J. Cancer"},{"issue":"7","key":"D2MD00387B\/cit16\/1","doi-asserted-by":"publisher","first-page":"1660","DOI":"10.1080\/10428194.2020.1728746","volume":"61","author":"Wang","year":"2020","journal-title":"Leuk. Lymphoma"},{"issue":"3","key":"D2MD00387B\/cit17\/1","doi-asserted-by":"publisher","first-page":"1150","DOI":"10.1124\/pharmrev.120.000122","volume":"73","author":"Penning","year":"2021","journal-title":"Pharmacol. Rev."},{"issue":"17","key":"D2MD00387B\/cit18\/1","doi-asserted-by":"publisher","first-page":"2554","DOI":"10.2174\/092986711795933713","volume":"18","author":"Bro\u017ei\u010d","year":"2011","journal-title":"Curr. Med. Chem."},{"issue":"20","key":"D2MD00387B\/cit19\/1","doi-asserted-by":"publisher","first-page":"11305","DOI":"10.1021\/acs.jmedchem.9b02138","volume":"63","author":"Liu","year":"2020","journal-title":"J. Med. Chem."},{"issue":"8","key":"D2MD00387B\/cit20\/1","doi-asserted-by":"publisher","first-page":"e43965","DOI":"10.1371\/journal.pone.0043965","volume":"7","author":"Flanagan","year":"2012","journal-title":"PLoS One"},{"issue":"11","key":"D2MD00387B\/cit21\/1","doi-asserted-by":"publisher","first-page":"8368","DOI":"10.1074\/jbc.M606784200","volume":"282","author":"Qiu","year":"2007","journal-title":"J. Biol. Chem."},{"issue":"10","key":"D2MD00387B\/cit22\/1","doi-asserted-by":"publisher","first-page":"3492","DOI":"10.1016\/j.bmcl.2012.03.085","volume":"22","author":"Chen","year":"2012","journal-title":"Bioorg. Med. Chem. Lett."},{"issue":"5","key":"D2MD00387B\/cit23\/1","doi-asserted-by":"publisher","first-page":"1802","DOI":"10.1158\/0008-5472.CAN-03-2847","volume":"64","author":"Lovering","year":"2004","journal-title":"Cancer Res."},{"issue":"34","key":"D2MD00387B\/cit24\/1","doi-asserted-by":"publisher","first-page":"10161","DOI":"10.1021\/bi010919a","volume":"40","author":"Jin","year":"2001","journal-title":"Biochemistry"},{"issue":"1","key":"D2MD00387B\/cit25\/1","doi-asserted-by":"publisher","first-page":"60","DOI":"10.1124\/mol.104.006569","volume":"67","author":"Bauman","year":"2005","journal-title":"Mol. Pharmacol."},{"key":"D2MD00387B\/cit26\/1","doi-asserted-by":"publisher","first-page":"e2100256","DOI":"10.1002\/minf.202100256","author":"Marinovi\u0107","year":"2022","journal-title":"Mol. Inf."},{"issue":"6","key":"D2MD00387B\/cit27\/1","doi-asserted-by":"publisher","first-page":"969","DOI":"10.1039\/c8md00077h","volume":"9","author":"Savi\u0107","year":"2018","journal-title":"MedChemComm"},{"key":"D2MD00387B\/cit28\/1","doi-asserted-by":"publisher","first-page":"2611","DOI":"10.3762\/bjoc.17.174","volume":"17","author":"\u0160kori\u0107","year":"2021","journal-title":"Beilstein J. Org. Chem."},{"key":"D2MD00387B\/cit29\/1","doi-asserted-by":"publisher","first-page":"341","DOI":"10.1016\/j.ejmech.2019.05.071","volume":"178","author":"Zhang","year":"2019","journal-title":"Eur. J. Med. Chem."},{"issue":"12","key":"D2MD00387B\/cit30\/1","doi-asserted-by":"publisher","first-page":"e2000519","DOI":"10.1002\/cbdv.202000519","volume":"17","author":"Sun","year":"2020","journal-title":"Chem. Biodiversity"},{"issue":"17","key":"D2MD00387B\/cit31\/1","doi-asserted-by":"publisher","first-page":"7417","DOI":"10.1021\/jm300841n","volume":"55","author":"Bro\u017ei\u010d","year":"2012","journal-title":"J. Med. Chem."},{"issue":"2","key":"D2MD00387B\/cit32\/1","doi-asserted-by":"publisher","first-page":"484","DOI":"10.1016\/j.bcp.2007.09.008","volume":"75","author":"Byrns","year":"2008","journal-title":"Biochem. Pharmacol."},{"issue":"9","key":"D2MD00387B\/cit33\/1","doi-asserted-by":"publisher","first-page":"848","DOI":"10.1002\/cbic.200300606","volume":"4","author":"Muddana","year":"2003","journal-title":"ChemBioChem"},{"key":"D2MD00387B\/cit34\/1","doi-asserted-by":"publisher","first-page":"22","DOI":"10.1016\/j.steroids.2017.12.002","volume":"130","author":"Beki\u0107","year":"2018","journal-title":"Steroids"},{"issue":"2","key":"D2MD00387B\/cit35\/1","doi-asserted-by":"publisher","first-page":"278","DOI":"10.1039\/d0md00311e","volume":"12","author":"Vasiljevi\u0107","year":"2021","journal-title":"RSC Med. Chem."},{"issue":"4","key":"D2MD00387B\/cit36\/1","doi-asserted-by":"publisher","first-page":"269","DOI":"10.1038\/nsb0497-269","volume":"4","author":"Diederichs","year":"1997","journal-title":"Nat. Struct. Biol."},{"issue":"6084","key":"D2MD00387B\/cit37\/1","doi-asserted-by":"publisher","first-page":"1030","DOI":"10.1126\/science.1218231","volume":"336","author":"Karplus","year":"2012","journal-title":"Science"},{"key":"D2MD00387B\/cit38\/1","doi-asserted-by":"publisher","first-page":"760","DOI":"10.1107\/S0907444994003112","volume-title":"Acta Crystallogr., Sect. D: Biol. Crystallogr.","volume":"50","year":"1994","unstructured":"The CCP4 suite: programs for protein crystallography,  Acta Crystallogr., Sect. D: Biol. Crystallogr. ,  1994 ,  50 (Pt 5),  760\u2013763 ,  10.1107\/S0907444994003112"},{"issue":"6359","key":"D2MD00387B\/cit39\/1","doi-asserted-by":"publisher","first-page":"472","DOI":"10.1038\/355472a0","volume":"355","author":"Br\u00fcnger","year":"1992","journal-title":"Nature"},{"issue":"Pt 1","key":"D2MD00387B\/cit40\/1","doi-asserted-by":"publisher","first-page":"12","DOI":"10.1107\/S0907444909042073","volume":"66","author":"Chen","year":"2010","journal-title":"Acta Crystallogr., Sect. D: Biol. Crystallogr."},{"issue":"1\u20132","key":"D2MD00387B\/cit41\/1","doi-asserted-by":"publisher","first-page":"95","DOI":"10.1016\/j.jsbmb.2010.11.004","volume":"125","author":"Byrns","year":"2011","journal-title":"J. Steroid Biochem. Mol. Biol."},{"issue":"2","key":"D2MD00387B\/cit42\/1","doi-asserted-by":"publisher","first-page":"127","DOI":"10.1093\/protein\/8.2.127","volume":"8","author":"Wallace","year":"1995","journal-title":"Protein Eng."},{"issue":"10","key":"D2MD00387B\/cit43\/1","doi-asserted-by":"publisher","first-page":"2778","DOI":"10.1021\/ci200227u","volume":"51","author":"Laskowski","year":"2011","journal-title":"J. Chem. Inf. Model."},{"issue":"3","key":"D2MD00387B\/cit44\/1","doi-asserted-by":"publisher","first-page":"213","DOI":"10.1016\/S1359-6446(04)03363-X","volume":"10","author":"DeLano","year":"2005","journal-title":"Drug Discovery Today"},{"issue":"16","key":"D2MD00387B\/cit45\/1","doi-asserted-by":"publisher","first-page":"2785","DOI":"10.1002\/jcc.21256","volume":"30","author":"Morris","year":"2009","journal-title":"J. Comput. Chem."},{"key":"D2MD00387B\/cit46\/1","doi-asserted-by":"publisher","first-page":"243","DOI":"10.1007\/978-1-4939-2269-7_19","volume-title":"Methods in Molecular Biology","volume":"1263","author":"Dallakyan","year":"2015","unstructured":"S.Dallakyan  and  A. J.Olson , Small-molecule library screening by docking with PyRx, in  Methods in Molecular Biology ,  Springer New York ,  2015 ,  vol. 1263 ,  pp. 243\u2013250 ,  10.1007\/978-1-4939-2269-7_19"},{"issue":"5","key":"D2MD00387B\/cit47\/1","doi-asserted-by":"publisher","first-page":"501","DOI":"10.2174\/1389450119666181022153016","volume":"20","author":"Saikia","year":"2019","journal-title":"Curr. Drug Targets"},{"issue":"6","key":"D2MD00387B\/cit48\/1","doi-asserted-by":"publisher","first-page":"853","DOI":"10.1002\/cmdc.200700010","volume":"2","author":"Stierand","year":"2007","journal-title":"ChemMedChem"},{"issue":"2","key":"D2MD00387B\/cit49\/1","doi-asserted-by":"publisher","first-page":"455","DOI":"10.1002\/jcc.21334","volume":"31","author":"Trott","year":"2010","journal-title":"J. Comput. Chem."},{"issue":"Pt 5","key":"D2MD00387B\/cit50\/1","doi-asserted-by":"publisher","first-page":"300","DOI":"10.1107\/S2053230X18005721","volume":"74","author":"Plav\u0161a","year":"2018","journal-title":"Acta Crystallogr., Sect. F: Struct. Biol. Commun."},{"issue":"Pt 6","key":"D2MD00387B\/cit51\/1","doi-asserted-by":"publisher","first-page":"1035","DOI":"10.1107\/S0021889809042022","volume":"42","author":"Gorrec","year":"2009","journal-title":"J. Appl. Crystallogr."},{"issue":"Pt 3","key":"D2MD00387B\/cit52\/1","doi-asserted-by":"publisher","first-page":"442","DOI":"10.1107\/S0909049512006395","volume":"19","author":"Mueller","year":"2012","journal-title":"J. Synchrotron Radiat."},{"key":"D2MD00387B\/cit53\/1","doi-asserted-by":"publisher","first-page":"A47","DOI":"10.17815\/jlsrf-2-64","volume":"2","author":"Gerlach","year":"2016","journal-title":"Journal of large-scale Research Facilities"},{"issue":"Pt 2","key":"D2MD00387B\/cit54\/1","doi-asserted-by":"publisher","first-page":"125","DOI":"10.1107\/S0907444909047337","volume":"66","author":"Kabsch","year":"2010","journal-title":"Acta Crystallogr., Sect. D: Biol. Crystallogr."},{"issue":"Pt 4","key":"D2MD00387B\/cit55\/1","doi-asserted-by":"publisher","first-page":"658","DOI":"10.1107\/S0021889807021206","volume":"40","author":"McCoy","year":"2007","journal-title":"J. Appl. Crystallogr."},{"issue":"Pt 4","key":"D2MD00387B\/cit56\/1","doi-asserted-by":"publisher","first-page":"235","DOI":"10.1107\/S0907444910045749","volume":"67","author":"Winn","year":"2011","journal-title":"Acta Crystallogr., Sect. D: Biol. Crystallogr."},{"issue":"Pt 3","key":"D2MD00387B\/cit57\/1","doi-asserted-by":"publisher","first-page":"240","DOI":"10.1107\/S0907444996012255","volume":"53","author":"Murshudov","year":"1997","journal-title":"Acta Crystallogr., Sect. D: Biol. Crystallogr."},{"issue":"Pt 4","key":"D2MD00387B\/cit58\/1","doi-asserted-by":"publisher","first-page":"486","DOI":"10.1107\/S0907444910007493","volume":"66","author":"Emsley","year":"2010","journal-title":"Acta Crystallogr., Sect. D: Biol. Crystallogr."},{"key":"D2MD00387B\/cit59\/1","doi-asserted-by":"publisher","first-page":"300","DOI":"10.1016\/S0076-6879(03)74014-2","volume-title":"Macromolecular Crystallography, Part D","volume":"374","author":"Winn","year":"2003","unstructured":"M. D.Winn ,  G. N.Murshudov  and  M. Z.Papiz , Macromolecular TLS Refinement in REFMAC at Moderate Resolutions, in  Macromolecular Crystallography, Part D , Methods in Enzymology,  Academic Press ,  2003 ,  vol. 374 ,  pp. 300\u2013321 ,  10.1016\/S0076-6879(03)74014-2"},{"issue":"6","key":"D2MD00387B\/cit60\/1","doi-asserted-by":"publisher","first-page":"1425","DOI":"10.1093\/nar\/20.6.1425","volume":"20","author":"Gietz","year":"1992","journal-title":"Nucleic Acids Res."},{"issue":"8","key":"D2MD00387B\/cit61\/1","doi-asserted-by":"publisher","first-page":"1174","DOI":"10.1093\/bioinformatics\/btaa774","volume":"37","author":"Pedretti","year":"2021","journal-title":"Bioinformatics"},{"key":"D2MD00387B\/cit62\/1","doi-asserted-by":"publisher","first-page":"17","DOI":"10.1186\/1758-2946-4-17","volume":"4","author":"Hanwell","year":"2012","journal-title":"J. Cheminf."}],"container-title":["RSC Medicinal Chemistry"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2023\/MD\/D2MD00387B","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,6,30]],"date-time":"2026-06-30T20:53:28Z","timestamp":1782852808000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/md\/article\/14\/2\/341-355\/772146"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023]]},"references-count":62,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2023,2,22]]}},"URL":"https:\/\/doi.org\/10.1039\/d2md00387b","relation":{},"ISSN":["2632-8682"],"issn-type":[{"value":"2632-8682","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023]]}}}