文献类型：期刊文献

英文题名：ASD: a comprehensive database of allosteric proteins and modulators

作者：Huang, Zhimin[1];Zhu, Liang[2];Cao, Yan[3];Wu, Geng[2];Liu, Xinyi[1,4];Chen, Yingyi[1,4];Wang, Qi[2];Shi, Ting[1,4];Zhao, Yaxue[1];Wang, Yuefei[1];Li, Weihua[5];Li, Yixue[6];Chen, Haifeng[2];Chen, Guoqiang[1];Zhang, Jian[1,4]

机构：[1]Shanghai Jiao Tong Univ, Sch Med, Chinese Minist Educ,Key Lab Cell Differentiat & A, Dept Pathophysiol & Chem Biol,Div Shanghai Univ E, Shanghai 200025, Peoples R China;[2]Shanghai Jiao Tong Univ, Sch Life Sci & Biotechnol, Shanghai 200240, Peoples R China;[3]Punan Hosp, Dept Gen Surg, Shanghai 200125, Peoples R China;[4]Shanghai Jiao Tong Univ, Sch Med, Inst Med Sci, Shanghai 200025, Peoples R China;[5]E China Univ Sci & Technol, Sch Pharm, Dept Pharmaceut Sci, Shanghai 200237, Peoples R China;[6]Chinese Acad Sci, Shanghai Inst Biol Sci, Bioinformat Ctr, Key Lab Syst Biol, Shanghai 200031, Peoples R China

年份：2011

卷号：39

起止页码：D663

外文期刊名：NUCLEIC ACIDS RESEARCH

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000285831700106)】；

基金：Funding for open access charge: Ministry of Science and Technology (NO2009CB918404, in part); National Basic Research Program of China (973 Program) (2011CB504001, in part); National Natural Science Foundation of China (90813034, 90919021, in part); Science and Technology Commission of Shanghai (08JC1413400, in part); Shanghai PuJiang Program (10PJ406800, 10PJD010, in part); Innovation Program of Shanghai Municipal Education Commission (grant number 09ZZ23, in part).

语种：英文

摘要：Allostery is the most direct, rapid and efficient way of regulating protein function, ranging from the control of metabolic mechanisms to signal-transduction pathways. However, an enormous amount of unsystematic allostery information has deterred scientists who could benefit from this field. Here, we present the AlloSteric Database (ASD), the first online database that provides a central resource for the display, search and analysis of structure, function and related annotation for allosteric molecules. Currently, ASD contains 336 allosteric proteins from 101 species and 8095 modulators in three categories (activators, inhibitors and regulators). Proteins are annotated with a detailed description of allostery, biological process and related diseases, and modulators with binding affinity, physicochemical properties and therapeutic area. Integrating the information of allosteric proteins in ASD should allow for the identification of specific allosteric sites of a given subtype among proteins of the same family that can potentially serve as ideal targets for experimental validation. In addition, modulators curated in ASD can be used to investigate potent allosteric targets for the query compound, and also help chemists to implement structure modifications for novel allosteric drug design. Therefore, ASD could be a platform and a starting point for biologists and medicinal chemists for furthering allosteric research. ASD is freely available at http://mdl.shsmu.edu.cn/ASD/.