title: SM-TF: A structural database of small molecule-transcription factor complexes.
abstract: Transcription factors (TFs) are the proteins involved in the transcription process, ensuring the correct expression of specific genes. Numerous diseases arise from the dysfunction of specific TFs. In fact, over 30 TFs have been identified as therapeutic targets of about 9% of the approved drugs. In this study, we created a structural database of small molecule-transcription factor (SM-TF) complexes, available online at http://zoulab.dalton.missouri.edu/SM-TF. The 3D structures of the co-bound small molecule and the corresponding binding sites on TFs are provided in the database, serving as a valuable resource to assist structure-based drug design related to TFs. Currently, the SM-TF database contains 934 entries covering 176 TFs from a variety of species. The database is further classified into several subsets by species and organisms. The entries in the SM-TF database are linked to the UniProt database and other sequence-based TF databases. Furthermore, the druggable TFs from human and the corresponding approved drugs are linked to the DrugBank. © 2016 Wiley Periodicals, Inc.
authors.affiliation: Dalton Cardiovascular Research Center, University of Missouri, Columbia, Missouri, 65211.
authors.forename: Xianjin
authors.initials: X
authors.lastname: Xu
authors.affiliation: Dalton Cardiovascular Research Center, University of Missouri, Columbia, Missouri, 65211.|Department of Physics and Astronomy, University of Missouri, Columbia, Missouri, 65211.
authors.forename: Zhiwei
authors.initials: Z
authors.lastname: Ma
authors.affiliation: Department of Internal Medicine, University of Missouri Hospital and Clinics, Columbia, Missouri, 65212.
authors.forename: Hongmin
authors.initials: H
authors.lastname: Sun
authors.affiliation: Dalton Cardiovascular Research Center, University of Missouri, Columbia, Missouri, 65211.|Department of Physics and Astronomy, University of Missouri, Columbia, Missouri, 65211.|Department of Biochemistry, University of Missouri, Columbia, Missouri, 65211.|Informatics Institute, University of Missouri, Columbia, Missouri, 65211.
authors.forename: Xiaoqin
authors.initials: X
authors.lastname: Zou
mesh_terms: D030562:Databases, Protein; D016503:Drug Delivery Systems; D006801:Humans; D054852:Small Molecule Libraries / Q000737:chemistry; D014157:Transcription Factors / Q000737:chemistry* / Q000378:metabolism
chemical_list: D054852:Small Molecule Libraries; D014157:Transcription Factors
keywords: drug design; gene regulation; structural database; therapeutic target; transcription factor