{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,17]],"date-time":"2026-08-17T19:31:00Z","timestamp":1786995060566,"version":"build-2736575974"},"reference-count":41,"publisher":"American Chemical Society (ACS)","issue":"11","license":[{"start":{"date-parts":[[2020,9,1]],"date-time":"2020-09-01T00:00:00Z","timestamp":1598918400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-001"},{"start":{"date-parts":[[2020,9,1]],"date-time":"2020-09-01T00:00:00Z","timestamp":1598918400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-009"},{"start":{"date-parts":[[2020,9,1]],"date-time":"2020-09-01T00:00:00Z","timestamp":1598918400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2020,11,6]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>The Viral Protein 35 (VP35), a crucial protein of the Zaire Ebolavirus (EBOV), interacts with a plethora of human proteins to cripple the human immune system. Despite its importance, the entire structure of the tetrameric assembly of EBOV VP35 and the means by which it antagonizes the autophosphorylation of the kinase domain of human protein kinase R (PKRK) is still elusive. We consult existing structural information to model a tetrameric assembly of the VP35 protein where 93% of the protein is modeled using crystal structure templates. We analyze our modeled tetrameric structure to identify interchain bonding networks and use molecular dynamics simulations and normal-mode analysis to unravel the flexibility and deformability of the different regions of the VP35 protein. We establish that the C-terminal of VP35 (VP35C) directly interacts with PKRK to prevent it from autophosphorylation. Further, we identify three plausible VP35C\u2013PKRK complexes with better affinity than the PKRK dimer formed during autophosphorylation and use protein design to establish a new stretch in VP35C that interacts with PKRK. The proposed tetrameric assembly will aid in better understanding of the VP35 protein, and the reported VP35C\u2013PKRK complexes along with their interacting sites will help in the shortlisting of small molecule inhibitors.<\/jats:p>","DOI":"10.1021\/acs.jproteome.0c00473","type":"journal-article","created":{"date-parts":[[2020,9,1]],"date-time":"2020-09-01T17:19:30Z","timestamp":1598980770000},"page":"4533-4542","source":"Crossref","is-referenced-by-count":10,"title":["Ebola Virus VP35\nProtein: Modeling of the Tetrameric\nStructure and an Analysis of Its Interaction with Human PKR"],"prefix":"10.1021","volume":"19","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-2859-7705","authenticated-orcid":true,"given":"Anupam","family":"Banerjee","sequence":"first","affiliation":[{"name":"Indian Institute of Technology Kharagpur , , ,","place":["West Bengal, India, 721302"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4119-3788","authenticated-orcid":true,"given":"Pralay","family":"Mitra","sequence":"additional","affiliation":[{"name":"Indian Institute of Technology Kharagpur , , ,","place":["West Bengal, India, 721302"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2020,9,1]]},"reference":[{"key":"2026081714253665600_cit1","unstructured":"Ebola situation report; World Health\nOrganization, 2016."},{"issue":"5","key":"2026081714253665600_cit2","first-page":"525","article-title":"Design of Protein Cores by Screening\nCombinatorial Sequence Library","volume":"30","author":"Ye","year":"1998","journal-title":"Sheng Wu Hua\nXue Yu Sheng Wu Wu Li Xue Bao (Shanghai)"},{"key":"2026081714253665600_cit3","unstructured":"Ebola Virus Disease Democratic Republic of Congo:\nExternal Situation\nReport; World Health Organization, Oct 22, 2019; p 64."},{"issue":"11","key":"2026081714253665600_cit4","doi-asserted-by":"publisher","first-page":"663","DOI":"10.1038\/nrmicro3524","article-title":"Filovirus pathogenesis and immune\nevasion: insights from Ebola virus and Marburg virus","volume":"13","author":"Messaoudi","year":"2015","journal-title":"Nat. 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