Colocalization Strategy Unveils an Underside Binding Site in the Transmembrane Domain of Smoothened Receptor
Zhou, Fang1,2,5,6; Ding, Kang1,3,5,6; Zhou, Yiqing4,9; Liu, Yang1; Liu, Xiaoyan1; Zhao, Fei1; Wu, Yiran1; Zhang, Xianjun1,5,6,8; Tan, Qiwen1; Xu, Fei1,6; Tan, Wenfu7; Xiao, Youli4,5; Zhao, Suwen1,6; Tao, Houchao1
2019-11-14
Source PublicationJOURNAL OF MEDICINAL CHEMISTRY
ISSN0022-2623
Volume62Issue:21Pages:9983-9989
Status已发表
DOI10.1021/acs.jmedchem.9b00283
AbstractWe unveiled an underside binding site on smoothened receptor (SMO) by a colocalization strategy using two structurally complementary photoaffinity probes derived from a known ligand Allo-1. Docking study and structural dissection identified key interactions within the site, including hydrogen bonding, pi-pi interactions, and hydrophobic interactions between Allo-1 and its contacting residues. Taken together, our results reveal the molecular base of Allo-1 binding and provide a basis for the design of new-generation ligands to overcome drug resistance.
Indexed BySCI
Language英语
Funding ProjectNSFC[21502206] ; NSFC[21572243]
WOS Research AreaPharmacology & Pharmacy
WOS SubjectChemistry, Medicinal
WOS IDWOS:000497260700039
PublisherAMER CHEMICAL SOC
EISSN1520-4804
WOS KeywordALA-D-ALA ; LIGAND-BINDING ; HEDGEHOG PATHWAY ; POTENT ; RESISTANCE ; VANCOMYCIN ; INHIBITOR ; DISCOVERY
Original Document TypeArticle
Citation statistics
Cited Times [WOS]:0   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://kms.shanghaitech.edu.cn/handle/2MSLDSTB/102264
Collection生命科学与技术学院_博士生
iHuman研究所_特聘教授组_Andrej Sali组
iHuman研究所_公共科研平台_动物细胞培养和蛋白纯化平台
iHuman研究所_公共科研平台_克隆平台
iHuman研究所_PI研究组_徐菲组
iHuman研究所_PI研究组_陶厚朝组
iHuman研究所_PI研究组_赵素文组
Corresponding AuthorXiao, Youli; Zhao, Suwen; Tao, Houchao
Affiliation1.ShanghaiTech Univ, iHuman Inst, Ren Bldg,393 Middle Huaxia Rd, Shanghai 201210, Peoples R China
2.Chinese Acad Sci, Shanghai Inst Materia Med, 555 Zuchongzhi Rd,Bldg 3,Room 426, Shanghai 201203, Peoples R China
3.Chinese Acad Sci, CAS MPG Partner Inst Computat Biol, Shanghai Inst Biol Sci, Key Lab Computat Biol, Shanghai 200031, Peoples R China
4.Chinese Acad Sci, Shanghai Inst Biol Sci, Inst Plant Physiol & Ecol, CAS Key Lab Synthet Biol, Shanghai 200032, Peoples R China
5.Univ Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China
6.ShanghaiTech Univ, Sch Life Sci & Technol, Shanghai 201210, Peoples R China
7.Fudan Univ, Sch Pharm, Dept Pharmacol, Shanghai 201203, Peoples R China
8.Chinese Acad Sci, Shanghai Inst Biol Sci, Inst Biochem & Cell Biol, Shanghai 200031, Peoples R China
9.Changshu Inst Technol, Sch Biotechnol & Food Engn, Suzhou 215500, Jiangsu, Peoples R China
First Author AffilicationiHuman Institute;  School of Life Science and Technology
Corresponding Author AffilicationiHuman Institute;  School of Life Science and Technology
First Signature AffilicationiHuman Institute
Recommended Citation
GB/T 7714
Zhou, Fang,Ding, Kang,Zhou, Yiqing,et al. Colocalization Strategy Unveils an Underside Binding Site in the Transmembrane Domain of Smoothened Receptor[J]. JOURNAL OF MEDICINAL CHEMISTRY,2019,62(21):9983-9989.
APA Zhou, Fang.,Ding, Kang.,Zhou, Yiqing.,Liu, Yang.,Liu, Xiaoyan.,...&Tao, Houchao.(2019).Colocalization Strategy Unveils an Underside Binding Site in the Transmembrane Domain of Smoothened Receptor.JOURNAL OF MEDICINAL CHEMISTRY,62(21),9983-9989.
MLA Zhou, Fang,et al."Colocalization Strategy Unveils an Underside Binding Site in the Transmembrane Domain of Smoothened Receptor".JOURNAL OF MEDICINAL CHEMISTRY 62.21(2019):9983-9989.
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