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GPCRdb in 2025: adding odorant receptors, data mapper, structure similarity search and models of physiological ligand complexes
Nucleic Acids Research ( IF 16.6 ) Pub Date : 2024-11-19 , DOI: 10.1093/nar/gkae1065
Luis P Taracena Herrera, Søren N Andreassen, Jimmy Caroli, Ismael Rodríguez-Espigares, Ali A Kermani, György M Keserű, Albert J Kooistra, Gáspár Pándy-Szekeres, David E Gloriam

G protein-coupled receptors (GPCRs) are membrane-spanning transducers mediating the actions of numerous physiological ligands and drugs. The GPCR database GPCRdb supports a large global research community with reference data, analysis, visualization, experiment design and dissemination. Here, we describe our sixth major GPCRdb release starting with an overview of all resources for receptors and ligands. As a major addition, all ∼400 human odorant receptors and their orthologs in major model organisms can now be studied across the various data and tool resources. For the first time, a Data mapper page enables users to map their own data onto receptors visualized as a GPCRome wheel, tree, clusters, list or heatmap. The structure model data have been expanded with models of physiological ligand complexes and updated with new state-specific structure models of all human GPCRs (built using AlphaFold, RoseTTAFold and AlphaFold-Multistate). Furthermore, a structure or model (pdb file) can now be queried against GPCRdb’s entire structure/model collection through a Structuresimilarity search page implementing FoldSeek. Finally, for ligands, new search tools can query names, database identifiers, similarities or substructures against integrated entries from the ChEMBL, Guide to Pharmacology, PDSP Ki, PubChem, DrugCentral and DrugBank databases. GPCRdb is available at https://gpcrdb.org.

中文翻译:


2025 年的 GPCRdb:添加气味受体、数据映射器、结构相似性搜索和生理配体复合物模型



G 蛋白偶联受体 (GPCR) 是跨膜转导器,介导许多生理配体和药物的作用。GPCR 数据库 GPCRdb 为大型全球研究社区提供参考数据、分析、可视化、实验设计和传播。在这里,我们描述了我们的第六个主要 GPCRdb 版本,首先概述了受体和配体的所有资源。作为一个主要的补充,现在可以在各种数据和工具资源中研究主要模式生物中所有 ∼400 的人类气味受体及其直系同源物。数据映射器页面首次使用户能够将自己的数据映射到以 GPCRome 轮、树、集群、列表或热图可视化的受体上。结构模型数据已使用生理配体复合物模型进行了扩展,并使用所有人类 GPCR 的新状态特异性结构模型(使用 AlphaFold、RoseTTAFold 和 AlphaFold-Multistate 构建)进行了更新。此外,现在可以通过实现 FoldSeek 的 Structuresimilarity 搜索页面,针对 GPCRdb 的整个结构/模型集合查询结构或模型(pdb 文件)。最后,对于配体,新的检索工具可以根据 ChEMBL、Guide to Pharmacology、PDSP Ki、PubChem、DrugCentral 和 DrugBank 数据库中的集成条目查询名称、数据库标识符、相似性或子结构。GPCRdb 可在 https://gpcrdb.org 获取。
更新日期:2024-11-19
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