Ahmed Aqeel, Smith Richard D, Clark Jordan J, Dunbar James B, Carlson Heather A
Department of Medicinal Chemistry, University of Michigan, 428 Church St, Ann Arbor, MI 48109-1065, USA.
Department of Medicinal Chemistry, University of Michigan, 428 Church St, Ann Arbor, MI 48109-1065, USA
Nucleic Acids Res. 2015 Jan;43(Database issue):D465-9. doi: 10.1093/nar/gku1088. Epub 2014 Nov 6.
For over 10 years, Binding MOAD (Mother of All Databases; http://www.BindingMOAD.org) has been one of the largest resources for high-quality protein-ligand complexes and associated binding affinity data. Binding MOAD has grown at the rate of 1994 complexes per year, on average. Currently, it contains 23,269 complexes and 8156 binding affinities. Our annual updates curate the data using a semi-automated literature search of the references cited within the PDB file, and we have recently upgraded our website and added new features and functionalities to better serve Binding MOAD users. In order to eliminate the legacy application server of the old platform and to accommodate new changes, the website has been completely rewritten in the LAMP (Linux, Apache, MySQL and PHP) environment. The improved user interface incorporates current third-party plugins for better visualization of protein and ligand molecules, and it provides features like sorting, filtering and filtered downloads. In addition to the field-based searching, Binding MOAD now can be searched by structural queries based on the ligand. In order to remove redundancy, Binding MOAD records are clustered in different families based on 90% sequence identity. The new Binding MOAD, with the upgraded platform, features and functionalities, is now equipped to better serve its users.
十多年来,Binding MOAD(所有数据库之母;http://www.BindingMOAD.org)一直是高质量蛋白质-配体复合物及相关结合亲和力数据的最大资源之一。Binding MOAD平均每年以1994个复合物的速度增长。目前,它包含23269个复合物和8156个结合亲和力数据。我们的年度更新通过对PDB文件中引用的参考文献进行半自动文献搜索来整理数据,并且我们最近升级了网站,增加了新特性和功能,以便更好地服务于Binding MOAD的用户。为了淘汰旧平台的遗留应用服务器并适应新变化,该网站已在LAMP(Linux、Apache、MySQL和PHP)环境中完全重写。改进后的用户界面集成了当前的第三方插件,以便更好地可视化蛋白质和配体分子,并提供排序、筛选和筛选下载等功能。除了基于字段的搜索外,Binding MOAD现在还可以通过基于配体的结构查询进行搜索。为了消除冗余,Binding MOAD记录根据90%的序列同一性聚类到不同的家族中。拥有升级后的平台、特性和功能的新Binding MOAD现在有能力更好地服务于其用户。