title: ASD v2.0: updated content and novel features focusing on allosteric regulation.
abstract: Allostery is the most direct and efficient way for regulation of biological macromolecule function and is induced by the binding of a ligand at an allosteric site topographically distinct from the orthosteric site. AlloSteric Database (ASD, http://mdl.shsmu.edu.cn/ASD) has been developed to provide comprehensive information on allostery. Owing to the inherent high receptor selectivity and lower target-based toxicity, allosteric regulation is expected to assume a more prominent role in drug discovery and bioengineering, leading to the rapid growth of allosteric findings. In this updated version, ASD v2.0 has expanded to 1286 allosteric proteins, 565 allosteric diseases and 22 008 allosteric modulators. A total of 907 allosteric site-modulator structural complexes and >200 structural pairs of orthosteric/allosteric sites in the allosteric proteins were constructed for researchers to develop allosteric site and pathway tools in response to community demands. Up-to-date allosteric pathways were manually curated in the updated version. In addition, both the front-end and the back-end of ASD have been redesigned and enhanced to allow more efficient access. Taken together, these updates are useful for facilitating the investigation of allosteric mechanisms, allosteric target identification and allosteric drug discovery.
authors.affiliation: Department of Pathophysiology, Chemical Biology Division of Shanghai Universities E-Institutes, Key Laboratory of Cell Differentiation and Apoptosis of Chinese Ministry of Education, Shanghai Jiao-Tong University School of Medicine (SJTU-SM), 280 Chongqing Road, Shanghai 200025, China, Medicinal Bioinformatics Center, Shanghai Jiao-Tong University School of Medicine (SJTU-SM), 280 Chongqing Road, Shanghai 200025, China and Department of Urology, The Second Affiliated Hospital of Dalian Medical University, 467 Zhongshan Road, Dalian, 116023, China.
authors.forename: Zhimin
authors.initials: Z
authors.lastname: Huang
authors.forename: Linkai
authors.initials: L
authors.lastname: Mou
authors.forename: Qiancheng
authors.initials: Q
authors.lastname: Shen
authors.forename: Shaoyong
authors.initials: S
authors.lastname: Lu
authors.forename: Chuangang
authors.initials: C
authors.lastname: Li
authors.forename: Xinyi
authors.initials: X
authors.lastname: Liu
authors.forename: Guanqiao
authors.initials: G
authors.lastname: Wang
authors.forename: Shuai
authors.initials: S
authors.lastname: Li
authors.forename: Lv
authors.initials: L
authors.lastname: Geng
authors.forename: Yaqin
authors.initials: Y
authors.lastname: Liu
authors.forename: Jiawei
authors.initials: J
authors.lastname: Wu
authors.forename: Guoqiang
authors.initials: G
authors.lastname: Chen
authors.forename: Jian
authors.initials: J
authors.lastname: Zhang
mesh_terms: D000494:Allosteric Regulation; D000495:Allosteric Site; D030562:Databases, Protein; D055808:Drug Discovery; D020407:Internet; D011506:Proteins / Q000737:chemistry / Q000378:metabolism
chemical_list: D011506:Proteins