{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,11]],"date-time":"2026-04-11T14:36:31Z","timestamp":1775918191778,"version":"3.50.1"},"reference-count":57,"publisher":"Oxford University Press (OUP)","issue":"2","license":[{"start":{"date-parts":[[2024,3,6]],"date-time":"2024-03-06T00:00:00Z","timestamp":1709683200000},"content-version":"vor","delay-in-days":44,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100000002","name":"National Institutes of Health","doi-asserted-by":"publisher","award":["SC1GM132043"],"award-info":[{"award-number":["SC1GM132043"]}],"id":[{"id":"10.13039\/100000002","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100006545","name":"National Institute on Minority Health and Health Disparities","doi-asserted-by":"publisher","award":["5U54MD007592"],"award-info":[{"award-number":["5U54MD007592"]}],"id":[{"id":"10.13039\/100006545","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2024,1,22]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:p>The family of Janus Kinases (JAKs) associated with the JAK\u2013signal transducers and activators of transcription signaling pathway plays a vital role in the regulation of various cellular processes. The conformational change of JAKs is the fundamental steps for activation, affecting multiple intracellular signaling pathways. However, the transitional process from inactive to active kinase is still a mystery. This study is aimed at investigating the electrostatic properties and transitional states of JAK1 to a fully activation to a catalytically active enzyme. To achieve this goal, structures of the inhibited\/activated full-length JAK1 were modelled and the energies of JAK1 with Tyrosine Kinase (TK) domain at different positions were calculated, and Dijkstra\u2019s method was applied to find the energetically smoothest path. Through a comparison of the energetically smoothest paths of kinase inactivating P733L and S703I mutations, an evaluation of the reasons why these mutations lead to negative or positive regulation of JAK1 are provided. Our energy analysis suggests that activation of JAK1 is thermodynamically spontaneous, with the inhibition resulting from an energy barrier at the initial steps of activation, specifically the release of the TK domain from the inhibited Four-point-one, Ezrin, Radixin, Moesin-PK cavity. Overall, this work provides insights into the potential pathway for TK translocation and the activation mechanism of JAK1.<\/jats:p>","DOI":"10.1093\/bib\/bbae079","type":"journal-article","created":{"date-parts":[[2024,3,6]],"date-time":"2024-03-06T18:13:19Z","timestamp":1709748799000},"source":"Crossref","is-referenced-by-count":13,"title":["A novel approach to study multi-domain motions in JAK1\u2019s activation mechanism based on energy landscape"],"prefix":"10.1093","volume":"25","author":[{"given":"Shengjie","family":"Sun","sequence":"first","affiliation":[{"name":"Department of Biomedical Informatic , School of Life Sciences, , Changsha 410083 , China"},{"name":"Central South University , School of Life Sciences, , Changsha 410083 , China"},{"name":"Computational Science Program, The University of Texas at El Paso , 500 W University Ave, TX 79968 , USA"}]},{"given":"Georgialina","family":"Rodriguez","sequence":"additional","affiliation":[{"name":"Department of Biological Sciences, The University of Texas at El Paso , 500 W University Ave, TX 79968 , USA"},{"name":"Border Biomedical Research Center, The University of Texas at El Paso , 500 W University Ave, TX, 79968 , USA"}]},{"given":"Gaoshu","family":"Zhao","sequence":"additional","affiliation":[{"name":"Google LLC , 1600 Amphitheatre Parkway Mountain View, CA 94043 , USA"}]},{"given":"Jason E","family":"Sanchez","sequence":"additional","affiliation":[{"name":"Computational Science Program, The University of Texas at El Paso , 500 W University Ave, TX 79968 , USA"}]},{"given":"Wenhan","family":"Guo","sequence":"additional","affiliation":[{"name":"Computational Science Program, The University of Texas at El Paso , 500 W University Ave, TX 79968 , USA"}]},{"given":"Dan","family":"Du","sequence":"additional","affiliation":[{"name":"Computational Science Program, The University of Texas at El Paso , 500 W University Ave, TX 79968 , USA"}]},{"given":"Omar J","family":"Rodriguez Moncivais","sequence":"additional","affiliation":[{"name":"Department of Biological Sciences, The University of Texas at El Paso , 500 W University Ave, TX 79968 , USA"},{"name":"Border Biomedical Research Center, The University of Texas at El Paso , 500 W University Ave, TX, 79968 , USA"}]},{"given":"Dehua","family":"Hu","sequence":"additional","affiliation":[{"name":"Department of Biomedical Informatic , School of Life Sciences, , Changsha 410083 , China"},{"name":"Central South University , School of Life Sciences, , Changsha 410083 , China"}]},{"given":"Jing","family":"Liu","sequence":"additional","affiliation":[{"name":"Department of Hematology, The Second Xiangya Hospital of Central South University; Molecular Biology Research Center, Center for Medical Genetics, School of Life Sciences, Central South University , Changsha 410083 , China"}]},{"given":"Robert Arthur","family":"Kirken","sequence":"additional","affiliation":[{"name":"Department of Biological Sciences, The University 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