Publications at SJTU
23. Zhiheng Deng#, Shixian Tao#, Yunxiang Du#, Yulei Li#, Liying Zhang, Qiang Shi, Xiaoru Du, Maoshen, Sun, Zebin Tong, Man Pan*, Lei Liu*, Huasong Ai*(最后通讯). Allosteric Activation of RNF20/RNF40–RAD6A-Mediated H2BK120 Monoubiquitylation by H2BS112 GlcNAcylation. Nature Chemical Biology, 2025, accepted in princilple.

22. Tianyi Zhang#, Jiqing Zheng#, Zebing Tong#, Zhiheng Deng#, Zaozhen He, Xiangwei Wu, Miao Wang, Yunxiang Du, Ziyu Xu, Shixian Tao, Xiaolin Tian, Haiteng Deng, Man Pan*, Huasong Ai*(共通讯), Lei Liu*. Unique Gluing Effect of ASXL1 K351 Monoubiquitination Stimulates the PR-DUB Activity. Nature Chemical Biology, 2025, accepted in princilple. bioRxiv, 2025, https://doi.org/10.1101/2025.04.25.650627.

21. Zebin Tong#, Xiangwei Wu#, Hongyi Cai#, Shidian Wu, Tianyi Zhang, Zhiheng Deng, Ziyu Xu, Rujing Yuan, Huasong Ai* (共通讯), Lei Liu*, Man Pan*. Structural basis for the ubiquitin E4 enzyme Ufd2-catalyzed K48/K29 branched ubiquitin chains. Nature Chemical Biology, 2025, 10.1038/s41589-025-01985-2.

20. Chuntong Li, Fangyu Zhao, Chong Zuo, Liying Zhang, Yangwode Jing, Xu Li, Guo-Chao Chu, Luyu Shi, Yingyue Zhang, Han Wang, Shuzhe Sun, Maoshen Sun, Huasong Ai*(共通讯),* Lu-Jun Liang,* Jinghong Li*. Design and Semi-synthesis of Ubiquitin Extension Probes for Structural Analysis of Cullin1 Mediated Substrate Polyubiquitination. Journal of the American Chemical Society, 2025, 147, 23878–23890.

19. Zhiheng Deng#, Huasong Ai#,* (共一/共通讯), Qiang Shi#, Jiawei Liang, Zaozhen He, Jiqing Zheng, Haoxiang Li, Liying Zhang, Wei He, Shixian Tao, Qingyun Zheng, Wei He, Man Pan*, Lei Liu*. A Cryptic Interfacial Pocket Uncovered in Full CRL4CRBN–IKZF3 Ubiquitylation Complex Enhances IMiD Efficacy. bioRxiv, 2025, https://doi.org/10.1101/2025.06.08.658527.

18. Yunxiang Du#, Maoshen Sun#, ZhengQing Li#, Xiangwei Wu, Qian Qu*, Huasong Ai* (共通讯), Lei Liu*. Mechanistic Insights into the Stimulation of the Histone H3K9 Methyltransferase Clr4 by Proximal H3K14 Ubiquitination. Science Advances, 2025, 11, eadu1864.

17. Xiangwei Wu#, Huasong Ai# (共一), Junxiong Mao#, Hongyi Cai, Lujun Liang, Zebin Tong, Zhiheng Deng, Qingyun Zheng*, Lei Liu*, Man Pan*. Structural Visualization of HECT-E3 Ufd4 accepting and transferring Ubiquitin to Form K29/K48-branched Polyubiquitination. Nature Communications, 2025, 16, 4313.

16. Shixian Tao#, Wei He#, Chuntong Li, Jiawei Liang, Zebin Tong, Zhiheng Deng, Li-ying Zhang, Huasong Ai*(共通讯), Lu-Jun Liang* & Lei Liu*. Synthesis of an E2-Ub-Nucleosome Conjugate to Capture the E3 Ligase PHF7-Catalyzed H3K14 Ubiquitination Intermediate. Science China Chemistry, 2025, 68, 5871.
15. Qi Shu, Yun Liu, Huasong Ai* (通讯). The Emerging Role of the Histone H2AK13/15 Ubiquitination: Mechanisms of Writing, Reading, and Erasing in DNA Damage Repair and Disease. Cells, 2025, 14(4), 307.

14. Qiang Shi#, Zhiheng Deng#, Liying Zhang#, Zebin Tong, Jia-Bin Li, Guo-Chao Chu*, Huasong Ai* (共通讯), and Lei Liu*. Promotion of RNF168-Mediated Nucleosomal H2A Ubiquitylation by Structurally-defined K63-Polyubiquitylated Linker Histone H1. Angewandte Chemie International Edition, 2025, 64(1):e202413651.

13. Huasong Ai#, Zebin Tong#, Zhiheng Deng#, Qiang Shi, Shixian Tao, Gaoge Sun, Jiawei Liang, Maoshen Sun, Xiangwei Wu, Qingyun Zheng, Lujun Liang, Hang Yin, Jia-Bin Li, Shuai Gao, Changlin Tian*, Lei Liu*, Man Pan*. Mechanism of nucleosomal H2A K13/15 monoubiquitination and adjacent dual monoubiquitination by RNF168. Nature Chemical Biology, 2025, 21, 668-680.

Publications prior to SJTU
12. Huasong Ai#, Zaozhen He#, Zhiheng Deng#, Guo-Chao Chu, Qiang Shi, Zebin Tong, Jia-Bin Li, Man Pan*, Lei Liu*. Structural and mechanistic basis for nucleosomal H2AK119 deubiquitination by single-subunit deubiquitinase USP16. Nature Structural & Molecular Biology, 2024, 31, 1745-1755.

11. Huasong Ai#, Maoshen Sun#, Aijun Liu#, Zixian Sun#, Tingting Liu#, Lin Cao, Lujun Liang, Qian Qu, Zichen Li, Zhiheng Deng, Zebin Tong, Guochao Chu, Xiaolin Tian, Haiteng Deng, Suwen Zhao, Jiabin Li*, Zhiyong Lou*, Lei Liu*. H2B Lys34 ubiquitination induces nucleosome distortion to stimulate Dot1L activity. Nature Chemical Biology, 2022, 18, 972-980.

10. Huasong Ai#, Guochoa Chu#, Qingyue Gong#, Zhiheng Deng, Zebin Tong, Xin Liu, Fan Yan, Jiabin Li*, Changlin Titan*, Lei Liu*. Chemical Synthesis of Post-Translationally Modified H2AX Reveals Redundancy in Interplay between Histone Phosphorylation, Ubiquitination, and Methylation on the Binding of 53BP1 with Nucleosomes. Journal of the American Chemical Society, 2022, 144, 18329-18337.

9. Huasong Ai#, Zebin Tong#, Zhiheng Deng, Jiakun Tian, Liying Zhang, Maoshen Sun, Yunxiang Du, Ziyu Xu, Qiang Shi, Lujun Liang, Qingyun Zheng, Jiabin Li, Man Pan*, Lei Liu*. Synthetic E2-Ub-nucleosome conjugates for studying nucleosome ubiquitination. Chem, 2023, 9, 1221-1240.

8. Huasong Ai, Lei Liu*. Paralog-specific recognition. Nature Chemical Biology, 2023, 5, 542-543.

7. Huasong Ai, Man Pan, Lei Liu*. Chemical Synthesis of Human Proteoforms and Application in Biomedicine. ACS Central Science, 2024, 10, 1442-1459.

6. Huasong Ai, Yu Guo, Demeng Sun, Sanling Liu, Yunkun Qi, Jing Guo, Qian Qu, Qingyue Gong, Suwen Zhao*, Jiabin Li*, Lei Liu*. Examination of the Deubiquitylation Site Selectivity of USP51 by Using Chemically Synthesized Ubiquitylated Histones. ChemBioChem, 2019, 20, 221-229.

5. Huasong Ai, Shuai Peng, Jia-Bin Li*. Chemical methods for studying the crosstalk between histone H2B ubiquitylation and H3 methylation. Journal of Peptide Science, 2021, e3381.
4. Zebin Tong#, Huasong Ai#, *(共一/共通讯), Ziyu Xu#, Kezhang He#, Guo-Chao Chu, Qiang Shi, Zhiheng Deng, Qiaomei Xue, Maoshen Sun, Yunxiang Du, Lujun Liang, Jia-Bin Li, Man Pan*, Lei Liu*. Synovial Sarcoma X Breakpoint 1 Protein uses a cryptic groove to selectively recognize H2AK119Ub Nucleosomes. Nature Structural & Molecular Biology, 2024, 31, 300–310.

3. Zhiheng Deng#, Huasong Ai# (共一), Maoshen Sun#, Zebin Tong#, Yunxiang Du#, Qian Qu, Liying Zhang, Ziyu Xu, Shixian Tao, Qiang Shi, Jia-Bin Li, Man Pan, Lei Liu*. Mechanistic insights into nucleosomal H2B monoubiquitylation mediated by yeast Bre1-Rad6 and its human homolog RNF20/RNF40-hRAD6A. Molecular Cell, 2023, 83, 3080-3094.E14.

2. Zichen Li#, Zebin Tong#, Qingyue Gong#, Huasong Ai* (共通讯), Shuai Peng, Cong Chen, Guo-Chao Chu, Jia-Bin Li*. The expedient, CAET-assisted synthesis of dual-monoubiquitinated histone H3 enables evaluation of its interaction with DNMT1. Chemical Science, 2023,14, 5681-5688.

1. Yunkun Qi#, Huasong Ai# (共一), Yiming Li, Binghui Yan. Total Chemical Synthesis of Modified Histones. Frontiers in Chemistry, 2018, 6, 19.
1. Man Pan#*, Qingyun Zheng#, Tian Wang#, Lujun Liang#, Chong Zuo, Ruichao Ding, Huasong Ai, Yuan Xie, Si Dong, Yuanyuan Yu*, Lei Liu*, Minglei Zhao*. Structural Insights Into the Initiation and Elongation of Ubiquitination by Ubr1. Nature, 2021, 600, 334–338.
2. Man Pan#*, Yuanyuan Yu#, Huasong Ai; Qingyun Zheng, Yuan Xie, Lei Liu*, Minglei Zhao*. Mechanistic insight into substrate processing and allosteric inhibition of human p97. Nat. Struct. Mol. Biol., 2021, 28, 614-625.
3. Man Pan#, Qingyun Zheng#, Yuanyuan Yu#, Huasong Ai, Yuan Xie, Xin Zeng, Chu Wang, Lei Liu*, Minglei Zhao*. Seesaw conformations of Npl4 in the human p97 complex and the inhibitory mechanism of a disulfiram derivative, Nat. Commun., 2021, 12(1): 121.
4. Qiang Shi, Zebin Tong, Zhiheng Deng, Ziyu Xu, Huasong Ai, Yang Liu, Lei Liu*. Chemical mechanisms of nucleosomal histone ubiquitination by RING-type E3 enzymes. Sci. Sin. Chim., 2023, 53.
5. Ziyu Xu, Huasong Ai, Maoshen Sun, Jiakun Tian, Lei Liu*. Advances on structural mechanisms of ubiquitinated nucleosome complexes. Sci. Sin. Chim., 2020, 50, 415-436.
6. Guo-Chao Chu, Man Pan, Jiabin Li, Sanling Liu, Chong Zuo, Ze-Bin Tong, Jing-Si Bai, Qingyue Gong, Huasong Ai, Jian Fan, Xianbin Meng, Yi-Chao Huang, Jing Shi, Haiteng Deng, Changlin Tian*, Yi-Ming Li*, Lei Liu*. Cysteine-aminoethylation-assisted chemical ubiquitination of recombinant histones. J. Am. Chem. Soc., 2019, 141, 3654-3663.
7. Chong Zuo, Ruichao Ding, Xiangwei Wu, Yuanxia Wang, Guo-Chao Chu, Lu-Jun Liang, Huasong Ai, Ze-Bin Tong, Junxiong Mao, Qingyun Zheng, Tian Wang, Zichen Li, Lei Liu*, Demeng Sun*. Thioester-assisted Sortase-A – mediated ligation. Angew. Chem. Int. Ed., 2022, 61, e202201887.
8. Zhiheng Deng, Huasong Ai, Chengpiao Lu, Jia-Bin Li*. The Bre1/Rad6 machinery: writing the central histone ubiquitin mark on H2B and beyond. Chromosome Res. 2020, 28(3-4):247-258.
9. Zebin Tong, Huasong Ai, Jia-Bin Li*. The Mechanism of Chromatin Remodeler SMARCAD1/Fun30 in Response to DNA Damage. Front. Cell Dev. Biol. 2020 8:560098.
10. Jia-Bin Li#, Yun-Kun Qi#, Qiao-Qiao He, Huasong Ai, San-Ling Liu, Jia-Xing Wang, Ji-Sheng Zheng, Lei Liu, Changlin Tian*. Chemically synthesized histone H2A Lys13 di-ubiquitination promotes binding of 53BP1 to nucleosomes. Cell Res. 2018, 28, 257-260.
11. Yunkun Qi, Qiaoqiao He, Huasong Ai, Jing Guo, Jia-Bin Li*. The convergent chemical synthesis of histone H3 protein for site-specific acetylation at Lys56 and ubiquitination at Lys122. Chem. Commun. 2017, 53(29):4148-4151.
12. Chen-Chen Chen#, Shuai Gao#, Huasong Ai, Qian Qu, Chang-Lin Tian& Yi-Ming Li*. Racemic X-ray structure of L-type calcium channel antagonist Calciseptine prepared by total chemical synthesis. Sci. China Chem. 2018, 61, 702-707.
13. Yun-Kun Qi , Qiao-Qiao He , Huasong Ai , Jia-Bin Li* , Ji-Shen Zheng*. Convergent Total Synthesis of Histone H2B Protein with Site-Specific Ubiquitination at Lys120. Synlett, 2017; 28, 1907-1912.
14. Guo-Chao Chu#, Lu-Jun Liang#, Rui Zhao#, Yan-Yan Guo, Chun-Tong Li, Chong Zuo, Huasong Ai, Xiao Hua, Zi-Chen Li, Yi-Ming Li, Lei Liu. Ferricyanide-promoted Oxidative Activation and Ligation of Protein Thioacids in Neutral Aqueous Media. CCS Chem. 2024, 6, 2031–2043.
15. Li-Li Feng#, Shu-Ying Bie#, Zhi-Heng Deng#, Shao-Mei Bai#, Jie Shi, Cao-Litao Qin, Huan-Lei Liu, Jia-Xu Li, Wan-Ying Chen, Jin-Ying Zhou, Chun-Mei Jiao, Yi Ma, Meng-Bo Qiu, Hua-Song Ai, Jian Zheng, Yun-Long Wang*, Mien-Chie Hung*, Xiang-Bo Wan*, Xin-Juan Fan*. Ubiquitin-induced RNF168 condensation promotes DNA double-strand break repair. Proc. Nat. Acad. Sci. 2024, 121, e2322972121.