{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,24]],"date-time":"2026-08-24T09:33:19Z","timestamp":1787563999106,"version":"build-2736575974"},"update-to":[{"DOI":"10.1371\/journal.ppat.1011097","type":"new_version","label":"New version","source":"publisher","updated":{"date-parts":[[2023,3,15]],"date-time":"2023-03-15T00:00:00Z","timestamp":1678838400000}}],"reference-count":121,"publisher":"Public Library of Science (PLoS)","issue":"3","license":[{"start":{"date-parts":[[2023,3,3]],"date-time":"2023-03-03T00:00:00Z","timestamp":1677801600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"NIH","award":["R01-AI129661"],"award-info":[{"award-number":["R01-AI129661"]}]},{"name":"Center for AIDs Research at the University of Pennsylvania","award":["2P30-AI045008"],"award-info":[{"award-number":["2P30-AI045008"]}]},{"DOI":"10.13039\/100010877","name":"ViiV healthcare","doi-asserted-by":"crossref","id":[{"id":"10.13039\/100010877","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":["www.plospathogens.org"],"crossmark-restriction":false},"short-container-title":["PLoS Pathog"],"abstract":"<jats:p>\n                    HIV integrase (IN) inserts viral DNA into the host genome and is the target of the strand transfer inhibitors (STIs), a class of small molecules currently in clinical use. Another potent class of antivirals is the allosteric inhibitors of integrase, or ALLINIs. ALLINIs promote IN aggregation by stabilizing an interaction between the catalytic core domain (CCD) and carboxy-terminal domain (CTD) that undermines viral particle formation in late replication. Ongoing challenges with inhibitor potency, toxicity, and viral resistance motivate research to understand their mechanism. Here, we report a 2.93 \u00c5 X-ray crystal structure of the minimal ternary complex between CCD\n                    <jats:sub>,<\/jats:sub>\n                    CTD\n                    <jats:sub>,<\/jats:sub>\n                    and the ALLINI BI-224436. This structure reveals an asymmetric ternary complex with a prominent network of \u03c0-mediated interactions that suggest specific avenues for future ALLINI development and optimization.\n                  <\/jats:p>","DOI":"10.1371\/journal.ppat.1011097","type":"journal-article","created":{"date-parts":[[2023,3,3]],"date-time":"2023-03-03T13:34:05Z","timestamp":1677850445000},"page":"e1011097","update-policy":"https:\/\/doi.org\/10.1371\/journal.ppat.corrections_policy","source":"Crossref","is-referenced-by-count":10,"title":["Structure of a HIV-1 IN-Allosteric inhibitor complex at 2.93 \u00c5 resolution: Routes to inhibitor optimization"],"prefix":"10.1371","volume":"19","author":[{"given":"Grant","family":"Eilers","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7006-2667","authenticated-orcid":true,"given":"Kushol","family":"Gupta","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Audrey","family":"Allen","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Saira","family":"Montermoso","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hemma","family":"Murali","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Robert","family":"Sharp","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Young","family":"Hwang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Frederic D.","family":"Bushman","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Gregory","family":"Van Duyne","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"340","published-online":{"date-parts":[[2023,3,3]]},"reference":[{"issue":"10","key":"ppat.1011097.ref001","doi-asserted-by":"crossref","first-page":"1023","DOI":"10.1056\/NEJMra025195","article-title":"HIV drug resistance","volume":"350","author":"F Clavel","year":"2004","journal-title":"N Engl J Med"},{"issue":"17","key":"ppat.1011097.ref002","doi-asserted-by":"crossref","first-page":"2725","DOI":"10.1097\/QAD.0000000000001234","article-title":"We need to use the best antiretroviral drugs worldwide to prevent HIV drug resistance","volume":"30","author":"B 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