Publication: Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers
Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers
Date
Date
Date
2020
Journal Article
Published version
| cris.lastimport.scopus | 2025-06-05T03:40:23Z | |
| cris.lastimport.wos | 2025-07-23T01:30:58Z | |
| dc.contributor.institution | University of Zurich | |
| dc.date.accessioned | 2020-11-18T16:14:05Z | |
| dc.date.available | 2020-11-18T16:14:05Z | |
| dc.date.issued | 2020-08-13 | |
| dc.description.abstract | Small molecule ligand binding to the ATAD2 bromodomain is investigated here through the synergistic combination of molecular dynamics and protein crystallography. A previously unexplored conformation of the binding pocket upon rearrangement of the gatekeeper residue Ile1074 has been found. Further, our investigations reveal how minor structural differences in the ligands result in binding with different plasticity of the ZA loop for this difficult-to-drug bromodomain. | |
| dc.identifier.doi | 10.1021/acsmedchemlett.0c00080 | |
| dc.identifier.issn | 1948-5875 | |
| dc.identifier.scopus | 2-s2.0-85090595074 | |
| dc.identifier.uri | https://www.zora.uzh.ch/handle/20.500.14742/174083 | |
| dc.identifier.wos | 000562943900012 | |
| dc.language.iso | eng | |
| dc.subject.ddc | 570 Life sciences; biology | |
| dc.subject.ddc | 610 Medicine & health | |
| dc.title | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers | |
| dc.type | article | |
| dcterms.accessRights | info:eu-repo/semantics/restrictedAccess | |
| dcterms.bibliographicCitation.journaltitle | ACS Medicinal Chemistry Letters | |
| dcterms.bibliographicCitation.number | 8 | |
| dcterms.bibliographicCitation.originalpublishername | American Chemical Society (ACS) | |
| dcterms.bibliographicCitation.pageend | 1580 | |
| dcterms.bibliographicCitation.pagestart | 1573 | |
| dcterms.bibliographicCitation.pmid | 32832026 | |
| dcterms.bibliographicCitation.volume | 11 | |
| dspace.entity.type | Publication | en |
| uzh.contributor.affiliation | University of Zurich | |
| uzh.contributor.affiliation | University of Zurich | |
| uzh.contributor.affiliation | University of Zurich | |
| uzh.contributor.affiliation | University of Zurich | |
| uzh.contributor.affiliation | University of Zurich | |
| uzh.contributor.affiliation | University of Zurich | |
| uzh.contributor.affiliation | University of Zurich | |
| uzh.contributor.affiliation | University of Zurich | |
| uzh.contributor.affiliation | University of Zurich | |
| uzh.contributor.affiliation | University of Zurich | |
| uzh.contributor.affiliation | University of Zurich | |
| uzh.contributor.affiliation | University of Zurich | |
| uzh.contributor.affiliation | University of Zurich | |
| uzh.contributor.author | Dolbois, Aymeric | |
| uzh.contributor.author | Batiste, Laurent | |
| uzh.contributor.author | Wiedmer, Lars | |
| uzh.contributor.author | Dong, Jing | |
| uzh.contributor.author | Brütsch, Manuela | |
| uzh.contributor.author | Huang, Danzhi | |
| uzh.contributor.author | Deerain, Nicholas M | |
| uzh.contributor.author | Spiliotopoulos, Dimitrios | |
| uzh.contributor.author | Cheng-Sánchez, Iván | |
| uzh.contributor.author | Laul, Eleen | |
| uzh.contributor.author | Nevado, Cristina | |
| uzh.contributor.author | Śledź, Paweł | |
| uzh.contributor.author | Caflisch, Amedeo | |
| uzh.contributor.correspondence | No | |
| uzh.contributor.correspondence | No | |
| uzh.contributor.correspondence | No | |
| uzh.contributor.correspondence | No | |
| uzh.contributor.correspondence | No | |
| uzh.contributor.correspondence | No | |
| uzh.contributor.correspondence | No | |
| uzh.contributor.correspondence | No | |
| uzh.contributor.correspondence | No | |
| uzh.contributor.correspondence | No | |
| uzh.contributor.correspondence | Yes | |
| uzh.contributor.correspondence | Yes | |
| uzh.contributor.correspondence | Yes | |
| uzh.document.availability | none | |
| uzh.eprint.datestamp | 2020-11-18 16:14:05 | |
| uzh.eprint.lastmod | 2025-07-23 02:06:59 | |
| uzh.eprint.statusChange | 2020-11-18 16:14:05 | |
| uzh.harvester.eth | Yes | |
| uzh.harvester.nb | No | |
| uzh.identifier.doi | 10.5167/uzh-192041 | |
| uzh.jdb.eprintsId | 34921 | |
| uzh.oastatus.unpaywall | green | |
| uzh.oastatus.zora | Closed | |
| uzh.publication.citation | Dolbois, Aymeric; Batiste, Laurent; Wiedmer, Lars; Dong, Jing; Brütsch, Manuela; Huang, Danzhi; Deerain, Nicholas M; Spiliotopoulos, Dimitrios; Cheng-Sánchez, Iván; Laul, Eleen; Nevado, Cristina; Śledź, Paweł; Caflisch, Amedeo (2020). Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers. ACS Medicinal Chemistry Letters, 11(8):1573-1580. | |
| uzh.publication.originalwork | original | |
| uzh.publication.publishedStatus | final | |
| uzh.scopus.impact | 8 | |
| uzh.scopus.subjects | Biochemistry | |
| uzh.scopus.subjects | Drug Discovery | |
| uzh.scopus.subjects | Organic Chemistry | |
| uzh.workflow.doaj | uzh.workflow.doaj.false | |
| uzh.workflow.eprintid | 192041 | |
| uzh.workflow.fulltextStatus | restricted | |
| uzh.workflow.revisions | 43 | |
| uzh.workflow.rightsCheck | nichtoffen | |
| uzh.workflow.source | PubMed:PMID:32832026 | |
| uzh.workflow.status | archive | |
| uzh.wos.impact | 8 | |
| Files | Original bundle
Dolbois_acsmedchemlett.0c00080.pdfview file |Download6.6 MB | |
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