https://m2.mtmt.hu/ hun 2026-04-16 21:44 JournalArticle 31627444 VALIDATED true 0 false 2026-02-16T12:49:57.138+0000 2022-11-24T12:15:09.360+0000 2020-10-13T07:54:12.674+0000 true 10062250 Molnár-Taga Márta /api/admin/10062250 Admin true 10062250 2024-01-08T13:22:55.248+0000 2024-01-08T13:22:55.248+0000 2022-11-24T12:15:09.371+0000 true 10062250 Molnár-Taga Márta /api/admin/10062250 Admin true 10062250 true false true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle true 10000059 Article true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle /api/subtype/10000059 Szakcikk SubType 101 true 10000059 true 1 /api/category/1 Category true 1 Dudas, Balint Nucleotide-Specific Autoinhibition of Full-Length K-Ras4B Identified by Extensive Conformational Sampling true true /api/journal/10043498 REVIEWED true false 10043498 false 10043498 true 2296-889X Journal FOREIGN 7 145 145 11 2020 K-Ras is one of the most frequently mutated oncogenes in human tumor cells. It consists of a well-conserved globular catalytic domain and a flexible tail-like hypervariable region (HVR) at its C-terminal end. It plays a key role in signaling networks in proliferation, differentiation, and survival, undergoing a conformational switch between the active and inactive states. It is regulated through the GDP-GTP cycle of the inactive GDP-bound and active GTP-bound states. Here, without imposing any prior constraints, we mapped the interaction pattern between the catalytic domain and the HVR using Molecular Dynamics with excited Normal Modes (MDeNM) starting from an initially extended HVR conformation for both states. Our sampling captured similar interaction patterns in both GDP- and GTP-bound states with shifted populations depending on the bound nucleotide. In the GDP-bound state, the conformations where the HVR interacts with the effector lobe are more populated than in the GTP-bound state, forming a buried thus autoinhibited catalytic site; in the GTP-bound state conformations where the HVR interacts with the allosteric lobe are more populated, overlapping the alpha 3/alpha 4 dimerization interface. The interaction of the GTP with Switch I and Switch II is stronger than that of the GDP in line with a decrease in the fluctuation upon GTP binding. true 2020 true true true false true false NONE 2026-02-16 false 14 0 14 5 5 14 14 14 13 14 14 5 5 5 9 0 14 5 14 5 0 0 0 Folyóiratcikk Journal Article 24 14 Könyvrészlet Chapter in Book 25 0 Könyv Book 23 0 Egyéb konferenciaközlemény Conference paper 31 0 Egyéb konferenciakötet Conference proceedings 32 0 Oltalmi formák Protection forms 26 0 Disszertáció Thesis 28 0 Egyéb Miscellaneous 29 0 Alkotás Achievement 22 0 Kutatási adat Research data 33 0 Folyóiratcikk Journal Article 24 0 0 0 Könyvrészlet Chapter in Book 25 0 0 0 Könyv Book 23 0 0 0 Egyéb konferenciaközlemény Conference paper 31 0 0 0 Egyéb konferenciakötet Conference proceedings 32 0 0 0 Oltalmi formák Protection forms 26 0 0 0 Disszertáció Thesis 28 0 0 0 Egyéb Miscellaneous 29 0 0 0 Alkotás Achievement 22 0 0 0 Kutatási adat Research data 33 0 0 0 2021 0 4 0 4 0 2022 0 5 2 5 2 2023 0 1 0 1 0 2024 0 2 2 2 2 2025 0 2 1 2 1 Q1 false false false false 2020-10-12T09:32:56.027+0000 Biofizikai és Sugárbiológiai Intézet (SE / AOK / I) 2 4 1 6 0 true Language 10002 /api/language/10002 Angol English true 2 true PersonAuthorship 93775576 /api/authorship/93775576 1 0.167 true false false Author 10085015 /api/author/10085015 Dudás Bálint true true Dudas Balint true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 93775577 /api/authorship/93775577 2 0.16666667 false false false Merzel Franci true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 93775578 /api/authorship/93775578 3 0.16666667 false false false Jang Hyunbum true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 93775579 /api/authorship/93775579 4 0.16666667 false false false Nussinov Ruth true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true 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class="autype autype0"> <span class="author-name" mtid="10085015"><a href="/gui2/?type=authors&mode=browse&sel=10085015" target="_blank">Dudas Balint (<span class="authorship-author-name">Dudás Bálint</span> <span class="authorAux-mtmt"> Számítógépes molekuláris biofizika</span>) </a> </span> <span class="author-affil"><span title="Semmelweis Egyetem">SE</span>/<span title="Általános Orvostudományi Kar">AOK</span>/<span title="Intézet">I</span>/Biofizikai és Sugárbiológiai Intézet</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Merzel Franci </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Jang Hyunbum </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Nussinov Ruth </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Perahia David </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10013887"><a href="/gui2/?type=authors&mode=browse&sel=10013887" target="_blank">Balog Erika ✉ (<span class="authorship-author-name">Balog Erika</span> <span class="authorAux-mtmt"> Számítógépes molekuláris biofizika</span>) </a> </span> <span class="author-affil"><span title="Semmelweis Egyetem">SE</span>/<span title="Általános Orvostudományi Kar">AOK</span>/<span title="Intézet">I</span>/Biofizikai és Sugárbiológiai Intézet</span> </div> </div> <div class="title"><a href="/gui2/?mode=browse&params=publication;31627444" target="_blank">Nucleotide-Specific Autoinhibition of Full-Length K-Ras4B Identified by Extensive Conformational Sampling</a></div> <div> <span class="journal-title">FRONTIERS IN MOLECULAR BIOSCIENCES</span> <span class="journal-issn">( <a target="_blank" href="https://portal.issn.org/resource/ISSN/2296-889X">2296-889X</a>)</span>: <span class="journal-volume">7</span> <span class="page"> Paper 145. 11 p. </span> <span class="year">(2020)</span> </div> <div class="pub-footer"> <span class="language" xmlns="http://www.w3.org/1999/html">Nyelv: Angol | </span> <span class="identifiers"> <span class="id identifier oa_none" 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class="journal-subject">Folyóirat szakterülete: Scopus - Biochemistry, Genetics and Molecular Biology (miscellaneous)&nbsp;&nbsp;&nbsp;SJR indikátor:&nbsp;Q1</div> <div class="journal-subject">Folyóirat szakterülete: Scopus - Molecular Biology&nbsp;&nbsp;&nbsp;SJR indikátor:&nbsp;Q1</div> </div></OnlyViewableByAuthor> <div class="publication-citation" style="margin-left: 0.5cm;"> <span title="Nyilvános idézőközlemények összesen, említések nélkül" class="citingPub-count">Nyilvános idéző összesen: 14</span> | Független: 5 | Függő: 9 | Nem jelölt: 0 | WoS jelölt: 14 | Scopus jelölt:&nbsp;13 | WoS/Scopus jelölt:&nbsp;14 | DOI jelölt:&nbsp;14 </div> <div class="mtid"><span class="long-pub-mtid">Közlemény: 31627444</span> | <span class="status-data status-VALIDATED"> Egyeztetett </span> Forrás | <span class="type-subtype">Folyóiratcikk ( Szakcikk ) </span> | <span class="pub-category">Tudományos</span> | <span class="publication-sourceOfData">WOS TAGGED</span> </div> <div class="lastModified">Utolsó módosítás: 2022.11.24. 13:15 Molnár-Taga Márta (SE 4-es admin) </div> </div></div>