The main goal of Shui research group is to develop versatile mass spectrometry (MS)-based technologies for GPCR ligand discovery and cell signaling study. Over the years, our group has gained extensive experiences in developing high resolution mass spectrometry-centered analytical pipelines for comprehensive or targeted protein and metabolite analysis. Our expertise in proteomics and metabolomics research has been exploited to establish affinity mass spectrometry technology for ligand screening towards protein targets of therapeutic importance. These new approaches have unique advantages in building a high-throughput screening platform for early-phase drug discovery as well as probingreceptor-drug interactions and signaling selectivity within the cell. 

Shui laboratory website: http://shuilab.ihuman.shanghaitech.edu.cn/ 

1. Qu X^#, Qiu N^#, Wang M^#, Zhang B^#, Du J, Zhong Z, Xu W, Chu X, Ma L, Yi C, Han S, Shui W*, Zhao Q*, Wu B*. Structural basis of tethered agonism of the adhesion GPCRs ADGRD1 and ADGRF1. Nature 2022, 604, 779-785. 

2. Lou R^#, Liu W^#, Li R, Li S, He X*, Shui W*. DeepPhospho accelerates DIA phosphoproteome profiling through in silico library generation. Nature Communications 2021, 12(1), 6685.

3. Li S^#, Luo H^#, Lou R^#, Tian C^#, Miao C, Xia L, Pan C, Duan X, Dang T, Li H, Fan C, Tang P, Zhang Z, Liu Y, Li Y, Xu F, Zhang Y, Zhong G*, Hu J*, Shui W*. Multiregional profiling of the brain transmembrane proteome uncovers novel regulators of depression. Science Advances 2021, 7(30), eabf0634.

4. Lu Y^#, Liu H^#, Yang D, Zhong L, Xin Y, Zhao S, Wang MW*, Zhou Q*, Shui W*. Affinity mass spectrometry-based fragment screening identified a new negative allosteric modulator of the adenosine A_2A receptor targeting the sodium ion pocket. ACS Chemical Biology 2021, 16(6), 991-1002.

5. Yang D^#, Zhou Q^#, Labroska V^#, Qin S, Darbalaei S, Wu Y, Yuliantie E, Xie L, Tao H, Cheng J, Liu Q, Zhao S^#, Shui W*, Jiang Y*, Wang MW*. G protein-coupled receptors: structure- and function-based drug discovery. Signal Transduction and Targeted Therapy 2021, 6(1), 7.

6. Ma M, Guo S, Lin X, Li S, Wu Y, Zeng Y, Hu Y, Zhao S, Xu F, Xie X, Shui W*. Targeted proteomics combined with affinity mass spectrometry analysis reveals antagonist E7 acts as an intracellular covalent ligand of orphan receptor GPR52. ACS Chemical Biology 2020, 15(12), 3275-3284.

7. Li H^#, Yang J^#, Tian C^#, Diao M, Wang Q, Zhao S, Li S, Tan F, Hua T, Qin Y, Lin C, Dylan D, Garth T, Zhang Y, Shui W, Liu Z, Wang T, Zhong G*. Organized cannabinoid receptor distribution in neurons revealed by super-resolution fluorescence imaging. Nature Communications 2020, 11(1), 5699.

8. Li SS, Shui W*. Systematic mapping of protein-metabolite interactions with mass spectrometry-based techniques. Current Opinion in Biotechnology 2020, 64, 24-31.  

9. Lou R^#, Tang P^#, Ding K^#, Li S, Tian C, Li Y, Zhao S*, Zhang Y*, Shui W*. Hybrid spectral library combining DIA-MS data and a targeted virtual library substantially deepens the proteome coverage. iScience 2020: 100903.

10. Zhang B^#, Zhao S^#, Yang D, Wu Y, Xin Y, Cao H, Huang X, Cai X, Sun W, Ye N, Xu Y, Peng Y, Zhao S, Liu Z, Zhong G*, Wang M*, Shui W*. A novel G protein-biased and subtype selective agonist for a G protein-coupled receptor discovered from screening herbal extracts. ACS Central Science 2020, 6, 213-225.

11. Lu Y^#, Qin S^#, Zhang B, Dai A, Cai X, Ma M, Gao ZG, Yang D, Stevens RC, Jacobson KA, Wang MW*, Shui W*. Accelerating the throughput of affinity mass spectrometry-based ligand screening toward a G protein-coupled receptor. Analytical Chemistry 2019, 91, 8162-8169.

12. Qin S^#, Meng M^#, Yang D^#, Bai W^#, Lu Y, Peng Y, Song G, Wu Y, Zhou Q, Zhao S, Huang X, McCorvy JD, Cai X, Dai A, Roth BL, Hanson MA, Liu ZJ, Wang MW*, Stevens RC, Shui W*. High-throughput identification of G protein-coupled receptor modulators through affinity mass spectrometry screening. Chemical Science 2018, 9, 3192-3199.

13. Yang S, Wu Y, Xu TH, de Waal PW, He Y, Pu M, Chen Y, DeBruine ZJ, Zhang B, Zaidi SA, Popov P, Guo Y, Han GW, Lu Y, Suino-Powell K, Dong S, Harikumar KG, Miller LJ, Katritch V, Xu HE, Shui W, Stevens RC, Melcher K, Zhao S, Xu F*. Crystal structure of the Frizzled 4 receptor in a ligand-free state. Nature 2018, 560, 666-670.

14. Li Z^#, Li Y^#, Chen W, Cao Q, Guo Y, Wan N, Jiang X, Tang Y, Wang Q, Shui W*. Integrating MS1 and MS2 scans in high-resolution parallel reaction monitoring assays for targeted metabolite quantification and dynamic ¹³C-labeling metabolism analysis. Analytical Chemistry 2017, 89, 877-885.  

15. Wang X, Li S, Wang H, Shui W* , Hu J*. Quantitative proteomics reveal proteins enriched in tubular endoplasmic reticulum of Saccharomyces cerevisiae. Elife 2017, 6, e23816.   

16. Xiong Y, Guo Y, Xiao W, Cao Q, Li S, Qi X, Zhang Z, Wang Q*, Shui W*. An NGS-independent strategy for proteome-wide identification of single amino acid polymorphisms by mass spectrometry. Analytical Chemistry 2016, 88, 2784-2791.

17. Hua T, Vemuri K, Pu M, Qu L, Han GW, Wu Y, Zhao S, Shui W, Li S, Korde A, Laprairie RB, Stahl EL, Ho JH, Zvonok N, Zhou H, Kufareva I, Wu B, Zhao Q, Hanson MA, Bohn LM*, Makriyannis A*, Stevens RC*, Liu ZJ*. Crystal structure of the human cannabinoid receptor CB1. Cell 2016,167, 750-762.