{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,6]],"date-time":"2026-03-06T01:50:12Z","timestamp":1772761812853,"version":"3.50.1"},"reference-count":56,"publisher":"Wiley","issue":"19","license":[{"start":{"date-parts":[[2018,9,13]],"date-time":"2018-09-13T00:00:00Z","timestamp":1536796800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"name":"National Institute of Health","award":["T32AI0007110-35"],"award-info":[{"award-number":["T32AI0007110-35"]}]}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["ChemMedChem"],"published-print":{"date-parts":[[2018,10,8]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p><jats:italic>Pseudomonas aeruginosa<\/jats:italic> is a Gram\u2010negative facultative anaerobe belonging to the Pseudomonadaceae family. It is a multidrug\u2010resistant opportunistic human pathogen, a common cause of life\u2010threatening nosocomial infections, and a key bacterial agent in cystic fibrosis and endocarditis. The bacterium exhibits intrinsic resistance to most antibacterial agents, including aminoglycosides and quinolones. Hence, the identification of new drug targets for <jats:italic>P.\u2005aeruginosa<\/jats:italic> is ongoing. PsCA3 is a \u03b2\u2010class carbonic anhydrase (\u03b2\u2010CA) that catalyzes the reversible hydration of carbon dioxide to bicarbonate and represents a new class of antimicrobial target. Previously, inhibitor screening studies of psCA3 have shown that a series of small anions including sulfamide (<jats:bold>SFN<\/jats:bold>), imidazole (<jats:bold>IMD<\/jats:bold>), and 4\u2010methylimidazole (<jats:bold>4MI<\/jats:bold>), and thiocyanate (<jats:bold>SCN<\/jats:bold>) inhibit the enzyme with efficiencies in the micro\u2010 to millimolar range. Herein the X\u2010ray crystal structures of these inhibitors in complex with psCA3 are presented and compared with human CA\u2005II. This structural survey into the binding modes of small anions forms the foundation for the development of inhibitors against \u03b2\u2010CAs and more selective inhibitors against <jats:italic>P.\u2005aeruginosa<\/jats:italic>.<\/jats:p>","DOI":"10.1002\/cmdc.201800375","type":"journal-article","created":{"date-parts":[[2018,8,7]],"date-time":"2018-08-07T22:09:50Z","timestamp":1533679790000},"page":"2024-2029","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":31,"title":["Structural Mapping of Anion Inhibitors to \u03b2\u2010Carbonic Anhydrase psCA3 from <i>Pseudomonas aeruginosa<\/i>"],"prefix":"10.1002","volume":"13","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-2556-928X","authenticated-orcid":false,"given":"Akilah B.","family":"Murray","sequence":"first","affiliation":[{"name":"Department of Biochemistry and Molecular Biology College of Medicine University of Florida  Gainesville FL 32610 USA"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6196-4378","authenticated-orcid":false,"given":"Mayank","family":"Aggarwal","sequence":"additional","affiliation":[{"name":"Division of Biology and Soft Matter Oak Ridge National Laboratory  Oak Ridge TN 37831 USA"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Melissa","family":"Pinard","sequence":"additional","affiliation":[{"name":"Laboratory of Molecular Biology National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health  Bethesda MD 20892 USA"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1352-1900","authenticated-orcid":false,"given":"Daniela","family":"Vullo","sequence":"additional","affiliation":[{"name":"Universit\u00e0 degli Studi di Firenze Polo Scientifico, Dipartimento Neurofaba, Sezione di Scienze Farmaceutiche e Nutraceutiche  Via Ugo Schiff 6 50019 Sesto Fiorentino, Firenze Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Marianna","family":"Patrauchan","sequence":"additional","affiliation":[{"name":"Department of Microbiology and Molecular Genetics Oklahoma State University  Stillwater OK 74078 USA"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4262-0323","authenticated-orcid":false,"given":"Claudiu T.","family":"Supuran","sequence":"additional","affiliation":[{"name":"Universit\u00e0 degli Studi di Firenze Polo Scientifico, Dipartimento Neurofaba, Sezione di Scienze Farmaceutiche e Nutraceutiche  Via Ugo Schiff 6 50019 Sesto Fiorentino, Firenze Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Robert","family":"McKenna","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Molecular Biology College of Medicine University of Florida  Gainesville FL 32610 USA"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2018,9,13]]},"reference":[{"key":"e_1_2_7_1_1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/S0163-7258(96)00198-2","volume":"74","author":"Lindskog S.","year":"1997","journal-title":"Pharmacol. 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