{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,1]],"date-time":"2026-04-01T08:51:36Z","timestamp":1775033496795,"version":"3.50.1"},"reference-count":66,"publisher":"Oxford University Press (OUP)","license":[{"start":{"date-parts":[[2023,6,8]],"date-time":"2023-06-08T00:00:00Z","timestamp":1686182400000},"content-version":"vor","delay-in-days":158,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100004504","name":"Lietuvos Mokslo Taryba","doi-asserted-by":"publisher","award":["S-LLT-20-2"],"award-info":[{"award-number":["S-LLT-20-2"]}],"id":[{"id":"10.13039\/501100004504","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2023,6,8]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:p>We introduce a protein\u2013ligand binding database (PLBD) that presents thermodynamic and kinetic data of reversible protein interactions with small molecule compounds. The manually curated binding data are linked to protein\u2013ligand crystal structures, enabling structure\u2013thermodynamics correlations to be determined. The database contains over 5500 binding datasets of 556 sulfonamide compound interactions with the 12 catalytically active human carbonic anhydrase isozymes defined by fluorescent thermal shift assay, isothermal titration calorimetry, inhibition of enzymatic activity and surface plasmon resonance. In the PLBD, the intrinsic thermodynamic parameters of interactions are provided, which account for the binding-linked protonation reactions. In addition to the protein\u2013ligand binding affinities, the database provides calorimetrically measured binding enthalpies, providing additional mechanistic understanding. The PLBD can be applied to investigations of protein\u2013ligand recognition and could be integrated into small molecule drug design.<\/jats:p>\n               <jats:p>Database URL https:\/\/plbd.org\/<\/jats:p>","DOI":"10.1093\/database\/baad040","type":"journal-article","created":{"date-parts":[[2023,6,8]],"date-time":"2023-06-08T19:05:15Z","timestamp":1686251115000},"source":"Crossref","is-referenced-by-count":17,"title":["PLBD: protein\u2013ligand binding database of\u00a0thermodynamic and\u00a0kinetic intrinsic parameters"],"prefix":"10.1093","volume":"2023","author":[{"given":"Darius","family":"Ling\u0117","sequence":"first","affiliation":[{"name":"Department of Biothermodynamics and Drug Design, Institute of Biotechnology, Life Sciences Center, Vilnius University , Saul\u0117tekio 7, Vilnius LT-10257, Lithuania"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Marius","family":"Gedgaudas","sequence":"additional","affiliation":[{"name":"Department of Biothermodynamics and Drug Design, Institute of Biotechnology, Life Sciences Center, Vilnius University , Saul\u0117tekio 7, Vilnius LT-10257, Lithuania"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Andrius","family":"Merkys","sequence":"additional","affiliation":[{"name":"Sector of Crystallography and Cheminformatics, Institute of Biotechnology, Life Sciences Center, Vilnius University , Saul\u0117tekio 7, Vilnius LT-10257, Lithuania"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Vytautas","family":"Petrauskas","sequence":"additional","affiliation":[{"name":"Department of Biothermodynamics and Drug Design, Institute of Biotechnology, Life Sciences Center, Vilnius University , Saul\u0117tekio 7, Vilnius LT-10257, Lithuania"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Antanas","family":"Vaitkus","sequence":"additional","affiliation":[{"name":"Sector of Crystallography and Cheminformatics, Institute of Biotechnology, Life Sciences 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