{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,30]],"date-time":"2026-07-30T13:20:39Z","timestamp":1785417639123,"version":"3.56.0"},"reference-count":25,"publisher":"International Union of Crystallography (IUCr)","issue":"10","license":[{"start":{"date-parts":[[2022,9,26]],"date-time":"2022-09-26T00:00:00Z","timestamp":1664150400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2022,9,26]],"date-time":"2022-09-26T00:00:00Z","timestamp":1664150400000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr F Struct Biol Commun","Acta Crystallogr F","Acta Crystallogr F Struct Biol Cryst Commun","Acta Cryst F","Acta Cryst F Struct Biol Commun","Acta Cryst Sect F","Acta Cryst Sect F Struct Biol Commun","Acta Crystallogr Sect F","Acta Crystallogr Sect F Struct Biol Commun","Acta Crystallogr Sect F Struct Biol Cryst Commun"],"accepted":{"date-parts":[[2022,9,1]]},"published-print":{"date-parts":[[2022,10,1]]},"abstract":"<jats:p>The small molecule belumosudil was initially identified as a selective inhibitor of Rho-associated coiled-coil kinase 2 (ROCK2) and has recently been approved for the treatment of graft-versus-host disease. However, recent studies have shown that many of the phenotypes displayed upon treatment with belumosudil were due to CK2\u03b1 inhibition. CK2\u03b1 is in itself a very promising therapeutic target for a range of conditions and has recently been put forward as a potential treatment for COVID-19. Belumosudil presents a promising starting point for the development of future CK2\u03b1 inhibitors as it provides a safe, potent and orally bioavailable scaffold. Therefore, several of the major hurdles in drug development have already been overcome. Here, the crystal structure of belumosudil bound to the ATP site of CK2\u03b1 is presented. This crystal structure combined with modelling studies further elucidates how belumosudil could be developed into a selective and potent CK2\u03b1 or ROCK2 inhibitor.<\/jats:p>","DOI":"10.1107\/s2053230x22008767","type":"journal-article","created":{"date-parts":[[2022,9,26]],"date-time":"2022-09-26T07:00:36Z","timestamp":1664175636000},"page":"348-353","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":2,"title":["Crystal structure of the Rho-associated coiled-coil kinase 2 inhibitor belumosudil bound to CK2\u03b1"],"prefix":"10.1107","volume":"78","author":[{"given":"Paul","family":"Brear","sequence":"first","affiliation":[{"id":[{"id":"https:\/\/ror.org\/013meh722","id-type":"ROR","asserted-by":"publisher"}],"department":["Department of Biochemistry"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Marko","family":"Hyv\u00f6nen","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/013meh722","id-type":"ROR","asserted-by":"publisher"}],"department":["Department of Biochemistry"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2022,9,26]]},"reference":[{"key":"rf5038_bb1","doi-asserted-by":"crossref","first-page":"199","DOI":"10.1042\/bj20021535","volume":"371","author":"Bain","year":"2003","journal-title":"Biochem. 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