دورية أكاديمية
FragMAX: the fragment-screening platform at the MAX IV Laboratory.
| العنوان: | FragMAX: the fragment-screening platform at the MAX IV Laboratory. |
|---|---|
| المؤلفون: | Lima GMA; BioMAX, MAX IV Laboratory, Fotongatan 2, 224 84 Lund, Sweden., Talibov VO; BioMAX, MAX IV Laboratory, Fotongatan 2, 224 84 Lund, Sweden., Jagudin E; BioMAX, MAX IV Laboratory, Fotongatan 2, 224 84 Lund, Sweden., Sele C; Department of Biology and Lund Protein Production Platform, Lund University, Sölvegatan 35, 22362 Lund, Sweden., Nyblom M; Department of Biology and Lund Protein Production Platform, Lund University, Sölvegatan 35, 22362 Lund, Sweden., Knecht W; Department of Biology and Lund Protein Production Platform, Lund University, Sölvegatan 35, 22362 Lund, Sweden., Logan DT; Department of Biology and Lund Protein Production Platform, Lund University, Sölvegatan 35, 22362 Lund, Sweden., Sjögren T; Discovery Sciences, BioPharmaceuticals R&D, AstraZeneca, 431 83 Mölndal, Sweden., Mueller U; Macromolecular Crystallography, Helmholtz-Zentrum Berlin, Albert-Einstein-Strasse 15, 12489 Berlin, Germany. |
| المصدر: | Acta crystallographica. Section D, Structural biology [Acta Crystallogr D Struct Biol] 2020 Aug 01; Vol. 76 (Pt 8), pp. 771-777. Date of Electronic Publication: 2020 Jul 27. |
| نوع المنشور: | Journal Article |
| اللغة: | English |
| بيانات الدورية: | Publisher: John Wiley & Sons Country of Publication: United States NLM ID: 101676043 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2059-7983 (Electronic) Linking ISSN: 20597983 NLM ISO Abbreviation: Acta Crystallogr D Struct Biol Subsets: MEDLINE |
| أسماء مطبوعة: | Publication: <2018-> : Medford, MA : John Wiley & Sons Original Publication: [Malden, MA] : John Wiley & Sons, [2016]- |
| مواضيع طبية MeSH: | Protein Structural Elements* , Software*, Proteins/*chemistry, Automation ; Crystallography, X-Ray ; Data Collection |
| مستخلص: | Advances in synchrotron storage rings and beamline automation have pushed data-collection rates to thousands of data sets per week. With this increase in throughput, massive projects such as in-crystal fragment screening have become accessible to a larger number of research groups. The quality of support offered at large-scale facilities allows medicinal chemistry-focused or biochemistry-focused groups to supplement their research with structural biology. Preparing the experiment, analysing multiple data sets and prospecting for interesting complexes of protein and fragments require, for both newcomers and experienced users, efficient management of the project and extensive computational power for data processing and structure refinement. Here, FragMAX, a new complete platform for fragment screening at the BioMAX beamline of the MAX IV Laboratory, is described. The ways in which users are assisted in X-ray-based fragment screenings and in which the fourth-generation storage ring available at the facility is best exploited are also described. (open access.) |
| References: | Acta Crystallogr F Struct Biol Commun. 2016 May;72(Pt 5):346-55. (PMID: 27139825) Acta Crystallogr D Biol Crystallogr. 2012 Oct;68(Pt 10):1393-9. (PMID: 22993093) Nat Commun. 2017 Apr 24;8:15123. (PMID: 28436492) Acta Crystallogr D Biol Crystallogr. 2009 Oct;65(Pt 10):1074-80. (PMID: 19770504) Drug Discov Today. 2003 Oct 1;8(19):876-7. (PMID: 14554012) J Med Chem. 2016 Sep 22;59(18):8189-206. (PMID: 27124799) PLoS One. 2017 Apr 18;12(4):e0175723. (PMID: 28419165) Nat Rev Drug Discov. 2016 Sep;15(9):605-619. (PMID: 27417849) Nature. 2020 Mar;579(7798):265-269. (PMID: 32015508) Top Curr Chem. 2012;317:33-59. (PMID: 21678136) Structure. 2020 Jun 2;28(6):694-706.e5. (PMID: 32413289) Prog Biophys Mol Biol. 2014 Nov-Dec;116(2-3):82-91. (PMID: 25268064) Methods Enzymol. 2018;610:97-115. (PMID: 30390807) Acta Crystallogr D Struct Biol. 2017 Feb 1;73(Pt 2):79-92. (PMID: 28177304) Essays Biochem. 2017 Nov 8;61(5):453-464. (PMID: 29118093) Acta Crystallogr Sect F Struct Biol Cryst Commun. 2009 May 1;65(Pt 5):495-8. (PMID: 19407386) Drug Discov Today. 2015 Sep;20(9):1104-11. (PMID: 25931264) Nat Rev Drug Discov. 2016 Oct;15(10):679-98. (PMID: 27516170) Drug Discov Today. 2005 Jul 15;10(14):987-92. (PMID: 16023057) Acta Crystallogr D Struct Biol. 2017 Mar 1;73(Pt 3):267-278. (PMID: 28291762) |
| معلومات مُعتمدة: | 2018-06454 Vetenskapsrådet; 2019-02567 VINNOVA |
| فهرسة مساهمة: | Keywords: BioMAX; FragMAX; drug discovery; fragment screening; high-throughput data analysis; protein crystallography; software; user facility |
| المشرفين على المادة: | 0 (Proteins) |
| تواريخ الأحداث: | Date Created: 20200804 Date Completed: 20210709 Latest Revision: 20240329 |
| رمز التحديث: | 20240329 |
| مُعرف محوري في PubMed: | PMC7397489 |
| DOI: | 10.1107/S205979832000889X |
| PMID: | 32744259 |
| قاعدة البيانات: | MEDLINE |
Full Text Finder | تدمد: | 2059-7983 |
|---|---|
| DOI: | 10.1107/S205979832000889X |