iNEXT Discovery-Instruct ESRF-ERIC; Structural biology for translational research and discovery.

The aim of this proposal is to provide user access to automated protein-to-structure and fragment screening pipelines based on the combination of EMBL HTX lab services and CrystalDirect technology and automated data collection at ESRF’s MX beamlines. Access modalities will include 1) Online-Crystallography (Protein-to-Structure pipeline) 2) Large-Scale ligand and Fragment Screening and 3) new Plate-to-beam data collection modalities enabled by the integration of CrystalDirect at MASSIF1. User access to these modalities will require competitive application and peer-review through the E.C. funded iNEXT Discovery and Instruct-ERIC consortia. Moreover, new approaches for high density ligand screening will be implemented and the experimental opportunities enabled by the Integration of CrystalDirect at the MASSIF-1 station will be further developed. This work will be carried out in the context of international collaborative projects.

本提案旨在为用户提供依托欧洲分子生物学实验室（EMBL）HTX实验室服务、CrystalDirect技术，以及欧洲同步辐射光源（ESRF）大分子晶体学（Macromolecular Crystallography，MX）线站自动化数据采集的自动化蛋白质-结构转化与片段筛选流程的访问权限。其访问模式涵盖以下三类：1）在线晶体学（蛋白质-结构转化流程）；2）大规模配体与片段筛选；3）依托MASSIF-1线站集成CrystalDirect技术实现的新型板上样品-线站数据采集模式。用户若需申请上述访问模式，需通过欧盟委员会（E.C.）资助的iNEXT Discovery及Instruct-ERIC联合研究联盟开展竞争性申请与同行评议。此外，本项目将开发新型高密度配体筛选方法，并进一步拓展在MASSIF-1线站集成CrystalDirect技术所能提供的实验研究契机。本工作将在国际合作项目框架下开展。