导师姓名： 张健 专业代码： 100700
性别： 男 专业名称： 药学
培养单位： 基础医学院 三级学科/
专业领域：
导师类型： 博士生导师 专业学位导师：
联系方式： jian.zhang@sjtu.edu.cn
邮编： 200025 邮箱地址： jzhang.dr@gmail.com

研究方向 (点击浏览详细信息)
药物化学、化学生物学和生物信息学

社会任职
中国药学会会员
上海交通大学医学院医药生物信息学中心主任
中国化学会计算化学委员会委员
上海生物物理协会计算机辅助药物设计委员会副主任
美国化学会邀请会员
中国化学会会员
中国分子生物学与生物化学学会会员

科研项目 项目编号项目名称课题来源起止年月批准经费承担职责
** 国家****基金 国家自然科学基金委 2020-01~2024-12 400万元 课题负责人
2017 药物化学 教育部****青年项目 2018-01~2020-12 30万元 课题负责人
2015 药物化学 中组部**** 2016-01~2018-12 190万元 课题负责人
2015AAOzO1O 组学大数据中心和知识库构建与服务技术 国家高技术研究发展计划（863计划） 2015-01~2017-12 65万元 课题参与人
** 蛋白别构位点识别方法发展及在药物设计中的应用 国家自然科学基金面上项目 2015-01~2018-12 65万元 课题负责人
2015CB910403 代谢应激过程中蛋白质修饰相关的生物标志物和潜在靶点的发现 国家重大基础研究计划(973) 2015-01~2019-12 50万元 课题参与人
** 国家自然科学基金优秀青年基金 国家自然科学基金优秀青年基金 2014-01~2016-12 100万元 课题负责人
13QA** 别构蛋白识别方法发展及在药物筛选中的应用 上海市科委 2013-07~2016-06 20万元 课题负责人
2013 教育部新世纪人才 教育部 2013-01~2017-12 50万元 课题负责人
131034 SENP2抑制剂的设计、优化及其在相关细胞发育信号传导通路中的应用 教育部霍英东青年教师基金 2012-01~2014-12 13万元 课题负责人
** STAT3选择性抑制剂的设计、优化及其功能研究 国家自然科学基金青年项目 2011-01~2013-12 19万元 课题负责人
2011CB504001 2型糖尿病发生发展中遗传因素的发现及其功能研究 国家重大基础研究计划(973) 2011-01~2015-12 50万元 课题参与人
10PJ406800 上海浦江人才 上海市科委 2010-10~2012-09 20万元 课题负责人
201083 STAT3选择性抑制剂的设计、优化及其功能研究 教育部全国优秀博士专项基金 2010-01~2014-12 42万元 课题负责人
2009 上海市教委高校创新团队II期 上海市科委 2009-07~2012-06 50万元 课题参与人

学术论文 作者论文标题期刊名出版年卷期页码
Lu S, He X, Ni D, Zhang J （通讯作者） Allosteric modulator discovery: from serendipity to structure-based design. J Med Chem. 2019 62(14): 6405-6421.
Lu S, Zhang J （通讯作者） Small molecule allosteric modulators of G-Protein-Coupled Receptors: drug-target interactions. J Med Chem 2019 62(1): 24-45.
Lu S, Ni D, Wang C, He X, Lin H, Wang Z, Zhang J （通讯作者） Deactivation pathway of Ras GTPase underlies conformational substates as targets for drug design ACS Catalysis. 2019 (8): 7188-7196
Lu S, Shen Q, Zhang J （通讯作者） Allosteric methods and their applications: facilitating the discovery of allosteric drugs and the investigation of allosteric mechanisms Acc Chem Res. 2019 52(2): 492-500.
Song K, Li Q, Gao W, Lu S, Shen Q, Liu X, Wu Y, Wang B, Lin H, Chen G, Zhang J （通讯作者） AlloDriver: a method for the identification and analysis of cancer driver targets. Nucleic Acids Res. 2019 47(W1): W315-W321
Lu S, Ji M, Ni D, Zhang J （通讯作者） Discovery of hidden allosteric sites as novel targets for allosteric drug design. Drug Discov Today. 2018 23(2): 359-365
Huang Z, Zhao J, Deng W, Chen Y, Shang J, Song K, Zhang L, Wang C, Lu S, Yang X, He B, Min J, Hu H, Tan M, Xu J, Zhang Q, Zhong J, Sun X, Mao Z, Lin H, Xiao M, Chin YE, Jiang H, Xu Y, Chen G, Zhang J （通讯作者） Identification of a cellular active SIRT6 allosteric activator. Nat Chem Biol. 2018 14(12): 1118-1126.
Wang G, Zhang M, Jang H, Lu S, Lin S, Chen G, Nussinov R, Zhang J （通讯作者）, Gaponenko V Interaction of Calmodulin with the cSH2 Domain of the p85 Regulatory Subunit. Biochemistry 2018 57(12): 1917-1928.
Huang M, Song K, Liu X, Lu S, Shen Q, Wang R, Gao J, Hong Y, Li Q, Ni D, Xu J, Chen G, Zhang J （通讯作者） AlloFinder: a strategy for allosteric modulator discovery and allosterome analyses. Nucleic Acids Res. 2018 46(W1): W451-W458
Bai J, Gao Y, Chen L, Yin Q, Lou F, Wang Z, Xu Z, Zhou H, Li Q, Cai W, Sun Y, Niu L, Wang H, Wei Z, Lu S, Zhou A, Zhang J, Wang H Identification of a natural inhibitor of methionine adenosyltransferase 2A regulating one-carbon metabolism in keratinocytes. EBioMedicine 2018 pii: S2352-3964(18)30613-3.
Zhang M, Li Z, Wang G, Jang H, Sacks DB, Zhang J, Gaponenko V, Nussinov R Calmodulin (CaM) activates PI3Kα by targeting the "Soft" CaM-binding motifs in both the nSH2 and cSH2 domains of p85α. J Phys Chem B. 2018 122(49): 11137-11146.
Li S, Jang H, Zhang J, Nussinov R Raf-1 Cysteine-Rich Domain Increases the Affinity of K-Ras/Raf at the Membrane, Promoting MAPK Signaling Structure 2018 26(3): 513-525
Chen Y, Li Z, Xu Z, Tang H, Guo W, Sun X, Zhang W, Zhang J, Wan X, Jiang Y, Mao Z Use of the XRCC2 promoter for in vivo cancer diagnosis and therapy. Cell Death Dis 2018 9(4): 420.
Yang X, Zhong J, Zhang Q, Qian J, Song K, Ruan C, Xu J, Ding K, Zhang J （通讯作者） Rational Design and Structure Validation of a Novel peptide Inhibitor of the Adenomatous Polyposis Coli (APC)-Rho Guanine Nucleotide Exchange Factor 4 (Asef) Interaction. J Med Chem 2018 61(17): 8017-8028
Jiang H, Dong J, Song K, Wang T, Huang W, Zhang J, Yang X, Shen, Y （通讯作者）, Zhang J A novel allosteric site in casein kinase 2α discovered using combining bioinformatics and biochemistry methods. Acta Pharmacol Sin 2017 38(12):1691-1698
Ni D, Song K, Zhang J, Lu S. Molecular Dynamics Simulations and Dynamic Network Analysis Reveal the Allosteric Unbinding of Monobody to H-Ras Triggered by R135K Mutation. Int J Mol Sci. 2017 18(11), pii: E2249.
Zhang Q, Peng C, Song J, Zhang Y, Chen J, Song Z, Shou X, Ma Z, Peng H, Jian X, He W, Ye Z, Li Z, Wang Y, Ye H, Zhang Z, Shen M, Tang F, Chen H, Shi Z, Chen C, Chen Z, Shen Y, Wang Y, Lu S, Zhang J, Li Y, Li S, Mao Y, Zhou L, Yan H, Shi Y, Huang C, Zhao Y. Germline Mutations in CDH23, Encoding Cadherin-Related 23, Are Associated with Both Familial and Sporadic Pituitary Adenomas. Am J Hum Genet 2017 100(5): 817-823.
Song K, Liu X, Huang W, Lu S, Shen Q, Zhang L, Zhang J （通讯作者） Improved method for the identification and validation of allosteric sites J Chem Inf Model 2017 57(9): 2358-2363
Nussinov R, Jang H, Tsai CJ, Liao T, Li S, Zhang J. Intrinsic protein disorder in oncogenic KRAS signaling. Cell Mol Life Sci. 2017 74(17): 3245-3261
Luo Y, Chen Y, Ma H, Tian Z, Zhang Y, Zhang J （通讯作者） Enhancing the biocatalytic manufacture of the key intermediate of atorvastatin by focused directed evolution of halohydrin dehalogenase Sci Rep 2017 7: 42064
McClory J, Timson DJ, Singh W, Zhang J, Huang M Reaction Mechanism of Isopentenyl Phosphate Kinase: A QM/MM Study. J Phys Chem B. 2017 121(49): 11062-11071.
Shen Q, Cheng F, Song H, Lu W, Zhao J, An X, Liu M, Chen G, Zhao Z*, Zhang J* （通讯作者） Proteome-scale investigation of protein allosteric regulation perturbed by somatic mutations in 7,000 cancer genomes. Am J Hum Genet. 2017 100(1): 5-20.
Lu S, Zhang J* （通讯作者） Designed covalent allosteric modulators: An emerging paradigm in drug discovery Drug Discov Today. 2017 22(2): 447-453.
Ni D, Liu D, Zhang J, Lu S. Computational Insights into the Interactions between Calmodulin and the c/nSH2 Domains of p85α Regulatory Subunit of PI3Kα: Implication for PI3Kα Activation by Calmodulin. Int J Mol Sci. 2017 19(1), pii: E151.
Nussinov R, Wang G, Tsai CJ, Jang H, Lu S, Banerjee A, Zhang J, Gaponenko V. Calmodulin and PI3K Signaling in KRAS Cancers. Trends Cancer. 2017 3(3): 214-224.
Yang X, Zhang X, Huang M, Song K, Li X, Huang M, Meng L, Zhang J （通讯作者） New Insights into PI3K Inhibitor Design using X-ray Structures of PI3Kα Complexed with a Potent Lead Compound Sci Rep 2017 7: 14572
Wang Y, Jiang L, Mo X, Lan Y, Yang X, Liu X, Zhang J, Zhu L, Liu J, Wu X. Megakaryocytic Smad4 Regulates Platelet Function Through Syk and ROCK2 Expression. Mol Pharmacol. 2017 92(3): 285-296.
Jiang H, Deng R, Yang X, Shang J, Lu S, Zhao Y, Song K, Liu X, Zhang Q, Chen Y, Chinn YE, Wu G, Li J, Chen G, Yu J*, Zhang J* （通讯作者） Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration. Nat Chem Biol. 2017 10.1038/nchembio.2442
Li Y, Han J, Zhang Y, Cao F, Liu Z, Li S, Wu J, Hu C, Wang Y, Shuai J, Chen J, Cao L, Li D, Shi P, Tian C, Zhang J, Dou Y, Li G, Chen Y, Lei M. Structural basis for activity regulation of MLL family methyltransferases. Nature 2016 530(7591): 447-452.
Shen Q, Wang G, Li S, Liu X, Lu S, Chen Z, Song K, Yan J, Geng L, Huang Z, Huang W, Cheng G, Zhang J* （通讯作者） ASD v3.0: unraveling allosteric regulation with structural mechanisms and biological networks Nucleic Acids Res. 2016 44(D1): D527-535
Lu S, Jang H, Muratcioglu S, Gursoy A, Keskin O, Nussinov R, Zhang J* （通讯作者） Ras conformational ensembles, allostery and signaling. Chem Rev. 2016 116(11): 6607-6665.
Wang M, Sang J, Ren Y, Liu K, Liu X, Zhang J, Wang H, Wang J, Orian A, Yang J, Yi J. SENP3 regulates the global protein turnover and the Sp1 level via antagonizing SUMO2/3-targeted ubiquitination and degradation Protein Cell 2016 7(1): 63-77
Lu S, Jang H, Gu S, Zhang J* （通讯作者）, Nussinov R Drugging Ras GTPase: a comprehensive mechanistic and signaling structural view. Chem Soc Rev. 2016 45(18): 4929-4952.
Wei W, Ma C, Cao Y, Yang L, Huang Z, Qin D, Chen Y, Liu C, Wang T, Lei H, Yu Y, Huang M, Tong Y, Xu H, Gao F, Zhang J* （通讯作者）, Wu Y. Identification of H7 as a novel peroxiredoxin I inhibitor to induce differentiation of leukemia cells. Oncotarget 2016 7(4): 3873-3883.
Li S, Shen Q, Su M, Liu X, Lu S, Chen Z, Wang R, Zhang J* （通讯作者） Alloscore: a method for predicting allosteric ligand-protein interactions. Bioinformatics 2016 32(10): 1574-1576.
Huang M, Chen Z, Zhang L, Huang Z, Chen Y, Xu J, Zhang J* （通讯作者）, Shu X Screening and Biological Evaluation of a Novel STAT3 Signaling Pathway Inhibitor against Cancer Bioorg Med Chem Lett. 2016 26(21): 5172-5176.
Lu S, Jang H, Zhang J* （通讯作者）, Nussinov R Inhibitors of Ras-SOS interactions. ChemMedChem 2016 11(8): 814-821.
Shang J, Lu S, Jiang Y, Zhang J* （通讯作者） Allosteric modulators of MEK1: drug design and discovery. Chem Biol Drug Des. 2016 88(4): 485-497.
Bin Guan,Hamidreza Siampour,Zhao Fan,Shun Wang,Xiang Yang Kong,Abdelmadjid Mesli,Jian Zhang （通讯作者）,and Yaping Dan Nanoscale nitrogen doping in silicon by self-assembled monolayers Sci Rep 2015 5:12641
Daoxiang Zhang, Yongbin Wang, Zhimin Shi, Jingyi Liu, Pan Sun, Xiaodan Hou, Jian Zhang, Shimin Zhao, Binhua P.Zhou, Jun Mi Metabolic Reprogramming of Cancer-Associated Fibroblasts by IDH3α Downregulation Cell Rep 2015 10:1335-1348
Wenkang Huang,Guanqiao Wang,Qiancheng Shen,Xinyi Liu,Shaoyong Lu, Lv Geng,Zhimin Huang and Jian Zhang ASBench: benchmarking sets for allosteric discovery Bioinformatics 2015 31:2598-2600
F-f Song,L-l Xia,P Ji,Y-b Tang,Z-m Huang,L Zhu,J Zhang,J-q Wang,G-p Zhao,H-l Ge,Y Zhang,and Y Wang Human dCTP Pyrophosphatase 1 promotes breast cancer cell growth and stemness through modulation on 5-methyl-dCTP metabolism and global hypomethylation Oncogenesis 2015 4:e159
Shaoyong Lu,Rong Deng,Haiming Jiang,Huili Song,Shuai Li,Qiancheng Shen,Wenkang Huang,Ruth Nussinov,Jianxiu Yu,Jian Zhang （通讯作者） The mechanism of ATP-dependent allosteric protection of Akt kinase phosphorylation Structure 2015 23(9):1725-34
Ying Liang, Yi Fu, Ruomei Qi, Meili Wang, Nan Yang, Li He, Fang Yu, Jian Zhang, Cai-Hong Yun, Xian Wang,Junling Liu,and Wei Kong Cartilage oligomeric matrix protein is a natural inhibitor of thrombin Blood 2015 126(7):905-14
Shaohua Guo,Wenkang Huang,Jian Zhang （通讯作者）,Yonghua Wang Novel inhibitor against Malassezia globosa LIP1 (SMG1), a potential anti-dandruff target Bioorg Med Chem Lett 2015 25:3464-3467
Yutong Hu,Shuai Li,Fang Liu,Lv Geng, Xiaohong Shua,Jian Zhang Discovery of novel nonpeptide allosteric inhibitors interrupting the interaction of CDK2/cyclin A3 by virtual screening and bioassays Bioorg Med Chem Lett 2015 25:4069-4073
Lu S, Huang W, Wang Q, Shen Q, Li S, Nussinov R, Zhang J （通讯作者） The Structural Basis of ATP as an Allosteric Modulator PLoS Comput Biol. 2014 10, e**
Huang Z, Mou L, Shen Q, Lu S, Li C, Liu X, Wang G, Li S, Geng L, Liu Y, Wu J, Chen G, Zhang J （通讯作者） ASD v2.0: updated content and novel features focusing on allosteric regulation Nucleic Acids Res. 2014 42, D510-516
Xu Y, Chen S, Zhang J, Fang S, Guo Q, Wang J, Fu Q, Xu R, Sun K Novel TBX1 loss-of-function mutation causes isolated conotruncal heart defects in Chinese patients without 22q11.2 deletion BMC Med Genet. 2014 15, 78
Li S, Zhang J, Lu S, Huang W, Geng L, Shen Q, Zhang J （通讯作者） Mechanism of allosteric inhibition of protein tyrosine phosphatase 1B PLoS ONE 2014 9, e97668.
Lu S, Huang W, Zhang J （通讯作者） Recent computational advances in the identification of allosteric sites in proteins Drug Discov Today. 2014 19, 1595-1600
Zhang Q, Zhang W, Li Y, Wang J, Zhang J, Hou T MORT: a powerful foundational library for computational biology and CADD J Cheminformatics. 2014 6, 36
Lu S, Li S, Zhang J （通讯作者） Harnessing allostery: a novel approach to drug discovery Med Res Rev 2014 34, 1242-1285
Zhao Y, Zhang X, Chen Y, Lu S, Peng Y, Wang X, Guo C, Zhou A, Zhang J, Luo Y, Shen Q, Ding J, Meng L, Zhang J （通讯作者） Crystal structures of PI3Kα complexed with PI103 and its derivatives: new directions for inhibitors design ACS Med Chem Lett. 2014 5, 138-142
Wei Z, Sun M, Liu X, Zhang J, Jin Y Rufy3, a protein specifically expressed in neurons, interacts with actin-bundling protein Fascin to control the growth of axons J Neurochem 2014 130, 678-692
Shi T, Luo Y, Wang X, Zhao Y, Lu S, Zhang J （通讯作者） Theoretical studies on the mechanism, enantioselectivity and axial ligand effect of Ru(salen)-catalyzed asymmetric cyclopropanation reaction Organometallics 2014 33, 3673-3682.
Hou X, Du J, Zhang J, Du L, Fang H, Li M. How to improve docking accuracy of AutoDock4.2: a case study using different electrostatic potentials. J Chem Inf Model. 2013 53, 188-200.
Huang W, Lu S, Huang Z, Liu X, Mou L, Luo Y, Zhao Y, Liu Y, Chen Z, Hou T, Zhang J Allosite: a method for predicting allosteric sites. Bioinformatics 2013 29, 2357-2359
Uckun F, Ma H, Qazi S, Ozer Z, Zhang J, Ishkhanian R. Regulatory phosphorylation of Ikaros by Bruton's tyrosine kinase PLoS ONE 2013 8, e71302.
Lu S, Huang Z, Huang W, Liu X, Chen Y, Shi T, Zhang J （通讯作者） How calcium inhibits the magnesium-dependent kinase GSK3β: A molecular simulation study PROTEINS: Structure, Function, and Bioinformatics 2013 81, 740-53
Shi T, Han Y, Li W, Zhao Y, Liu Y, Huang Z, Lu S, Zhang J （通讯作者） Exploring the desumoylation process of SENP1: a study combined MD simulations with QM/MM calculations on SENP1-SUMO1-RanGAP1 J Chem Inf Model. 2013 53, 2360-2368
Li X, Chen Y, Lu S, Huang Z, Liu X, Wang Q, Shi T, Zhang J （通讯作者） Towards an understanding of the sequence and structural basis of allosteric proteins J Mol Graph Model 2013 40, 30-39
Tang J, Zhang ZH, Huang M, Heise T, Zhang J, Liu GL Phosphorylation of human La protein at Ser366 by casein kinase II contributes to hepatitis B virus replication and expression in vitro J Viral Hepatitis 2013 20, 24-33.
Li X, Chen Y, Lu S, Huang Z, Liu X, Wang Q, Shi T, Zhang J （通讯作者） Towards an understanding of the sequence and structural basis of allosteric proteins J Mol Graph Model 2013 40, 30-39
Huang M （通讯作者）, Lu S, Shi T, Zhao Y, Chen Y, Li X, Liu X, Huang Z, Zhang J Conformational transition pathway in the activation process of allosteric glucokinase. PLoS ONE 2013 8, e55857
Wang W, Ye W, Yu Q, Jiang C, Zhang J* （通讯作者）, Luo R, Chen HF. Conformation selection and induced fit in specific antibody and antigen recognition: SPE7 as a case study. J Phys Chem B 2013 117, 4912-4923
Lu S, Huang W, Li X, Huang Z, Liu X, Chen Y, Shi T, Zhang J （通讯作者） Insights into the Role of Magnesium Triad in myo-Inositol Monophosphatase: Metal Mechanism, Substrate Binding and Lithium Therapy J Chem Inf Model 2012 52:2398-2409
Ye W, Chen Y, Wang W, Yu QF, Li Y, Zhang J （通讯作者）, Chen HF Insight into the Stability of Cross-b Amyloid Fibril from VEALYL Short Peptide with Molecular Dynamics Simulation PLOS ONE 2012 7:36382-36382
Chen Y, Wen D, Huang Z, Huang M, Luo Y, Liu B, Lu H, WuY, Peng Y, Zhang J （通讯作者） 2-(4-chlorophenyl)-2-oxoethyl-4-benzamidobenzoate derivatives, a novel class of SENP1 Inhibitors: Virtual screening, synthesis and biological evaluation Bioorg Med Chem Lett 2012 22:6867-6870
Zhang Z, Chen L, Gao L, Lin K, Zhu L, Lu Y, Shi X, Gao Y, Zhou J, Xu P, Zhang J （通讯作者）, Wu G Structural basis for the recognition of Asef by Adenomatous Polyposis Coli Cell Res 2012 22:372-386
Qin F, Ye W, Chen Y, Chen X, Li Y, Zhang J （通讯作者）, Chen HF Atomistic Mechanism of microRNA Translation Upregulation via Molecular Dynamics Simulations PLOS ONE 2012 7:43788-43788
Liu B, Zheng Y, Wang TD, Xu HZ, Xia L, Zhang J, Wu YL, Chen GQ, Wang LS Proteomic Identification of Common SCF Ubiquitin Ligase FBXO6-Interacting Glycoproteins in Three kinds of Cells J Proteome Res 2012 11:1773-1781
Tang J, Huang Z, Chen Y, Zhang Z, Liu G, Zhang J （通讯作者） A novel inhibitor of human La protein with anti-HBV activity discovered by structure-based virtual screening and in vitro evaluation PLOS ONE 2012 7:36363-36363
Zhou Z, Lin J, Huo R, Huang W, Zhang J, Wang L, Sun Y, Shen B, Li N Total glucosides of paeony attenuated functional maturation of dendritic cells via blocking TLR4/5 signaling in vivo Immunopharmacol 2012 14:275-282
Liu X, Liu B, Huang Z, Shi T, Chen Y, Zhang J （通讯作者） SPPS: a sequence-based method for predicting probability of protein-protein interaction partners PLOS ONE 2012 7:30938-30938
Qin F, Ye W, Chen Y, Chen X, Li Y, Zhang J （通讯作者）, Chen HF Specific recognition between intrinsically disordered LEF and DNA Phys Chem Chem Phys 2012 14:538-545
Huang Z, Jiang H, Liu X, Chen Y, Wang Q, Huang W, Shi T, Zhang J （通讯作者） HEMD: an integrated tool of human epigenetic enzymes and chemical modulators for therapeutics PLOS ONE 2012 7:39917-39917
Li W, Fu J, Cheng F, Zheng M, Zhang J, Liu G, Tang Y Unbinding pathways of GW4064 from human farnesoid X receptor as revealed by molecular dynamics simulations J Chem Inf Model 2012 52:3043-3052
Lv M, Shi T, Mao X, Li X, Chen Y, Zhu J, Ni S, Shen X, Jiang H, Li J, Zhang J （通讯作者）, Huang J 1-(2,6-Dibenzyloxybenzoyl)-3-(9H-fluoren-9-yl)-urea: a novel Cyclophilin A allosteric activator. Biochem Biophys Res Commun 2012 425:938-943
Uckun F, Ma H, Zhang J, Ozer Z, Dovat S, Mao C, Ishkhanian R, Goodman P, Qazi S Serine phosphorylation by SYK is critical for nuclear localization and transcription factor function of IKAROS Proc Natl Acad Sci USA 2012 109:18072-18077
Duan XF, Eric B, Li Z, Timothy C, Zhang J, Huang Z, Su X, Pan Y, Wu L, Chi Q, Thomas S, Zhang S, Ma M, Hiroaki M, Chen GQ, Zhuang H Crucial role of copper in detection of metal-coordinating odorants Proc Natl Acad Sci USA 2012 109:3492-3497
Huang J, Yan J, Zhang J （共同第一作者）, Zhu SG, Wang YL, Shi T, Zhu CH, Chen C, Liu X, Cheng JK, Mustelin T, Feng GS, Chen GQ, Yu J SUMO1 modification of PTEN regulates tumorigenesis by controlling its association with plasma membrane Nat Commun 2012 3:911-911
Wang Q, Zheng M, Huang Z, Liu X, Zhou H, Chen Y, Shi T, Zhang J （通讯作者） Toward Understanding the Molecular Basis for Chemical Allosteric Modulator Design J Mol Graph Model 2012 38:324-333
Zhang H, Qin F, Ye W, Li Z, Ma S, Xia Y, Jiang Y, Zhu J, Li Y, Zhang J （通讯作者）, Chen HF Revealing the Drug-Resistant Mechanism for Diarylpyrimidine Analogue Inhibitors of HIV-1 Reverse Transcriptase Chem Biol Drug Des 2011 78:427-437
Zhang Z, Li H, Chen L, Lu X, Zhang J, Xu P, Lin K, Wu G Molecular basis for the recognition of adenomatous polyposis coli by the discs large 1 protein PLOS ONE 2011 6:23507-23507
Huang Z, Zhu L, Cao Y, Wu G, Liu X, Chen Y, Wang Q, Shi T, Zhao Y, Wang Y, Li W, Li Y, Chen H, Chen G, Zhang J （通讯作者） ASD: a comprehensive database of allosteric proteins and modulators Nucleic Acids Res 2011 39:663-669
Pang X, Zhang L, Lai L, Chen J, Wu Y, Yi Z, Zhang J, Qu W, Aggarwal BB, Liu M 1'-Acetoxychavicol acetate suppresses angiogenesis-mediated human prostate tumor growth by targeting VEGF-mediated Src-FAK-Rho GTPase-signaling pathway Carcinogenesis 2011 32:904-912
Qin F, Jiang Y, Chen Y, Wu M, Yan G, Ye W, Li Y, Zhang J （通讯作者）, Chen HF Conformational Selection or Induced Fit for Brinker and DNA Recognition Phys Chem Chem Phys 2011 13:1407-1412
Zhou C, Wang X, Mo J, Zhang J （通讯作者）, Gan LS Optical Resolution and Structure Determination of New Indolizidine Alkaloids from Elaeocarpus sphaericus Helvetica Chimica Acta 2011 94:347-354
Tian S, Li Y, Wang J, Zhang J （通讯作者）, Hou T ADME Evaluation in Drug Discovery. 9. Prediction of Oral Bioavailability in Humans Based on Molecular Properties and Structural Fingerprints Mol Pharm 2011 8:841-851
Cai X, Zhang J （共同第一作者）, Chen M, Wu Y, Wang X, Chen J, Zhang J, Shen X, Qu D, Jiang H The effect of the potential PhoQ histidine kinase inhibitors on Shigella flexneri virulence PLOS ONE 2011 6:23100-23100
Liu X, Su X, Wang F, Huang Z, Wang Q, Li Z, Zhang R, Wu L, Pan Y, Chen Y, Zhuang H, Chen G, Shi T, Zhang J （通讯作者） ODORactor: a web server for deciphering olfactory coding Bioinformatics 2011 27:2302-2303
Wang F, Liu D, Wang H, Luo C, Zheng M, Liu H, Zhu W, Luo X, Zhang J （通讯作者）, Jiang H Computational screening for active compounds targeting protein sequences: methodology and experimental validation J Chem Inf Model 2011 51:2821-2828
Li Z, Zhang H, Li Y, Zhang J （通讯作者）, Chen HF Conformational Selection or Induced Fit for Brinker and DNA Recognition Chem Biol Drug Des 2011 77:63-74
Shi T, Lu Y, Liu X, Chen Y, Jiang H, Zhang J （通讯作者） Mechanism for the Autophosphorylation of CheA Histidine Kinase: QM/MM Calculations J Phys Chem B 2011 115:11895-11901
Zhou C, Mo J, Wang X, Zhang J （通讯作者）, Gan LS Theoretical study on flueggenines A and B: A comparison of calculated spectroscopic properties with IR, UV and ECD experimental data J Mol Struct 2011 989:131-135
Liu H, Shen Q, Zhang J （通讯作者）, Fu W Evaluation of various inverse docking schemes in multiple targets identification J Mol Graph Model 2010 16:1053-1061
Chen J, Bai L, Bernard D, Nikolovska-Coleska Z, Gomez C, Zhang J （通讯作者）, Yi H, Wang S Structure-Based Design of Conformationally Constrained, Cell-Permeable STAT3 Inhibitors ACS Med Chem Lett 2010 1:85-89
Chen Y, He YJ, Wu M, Yan G, Li Y, Zhang J （通讯作者）, Chen HF Insight into the Stability of Cross-β Amyloid Fibril from Molecular Dynamics Simulation Biopolymers 2010 93:578-586
Dong MX, Zhang J （通讯作者）, Peng XQ, Lu H, Yun LH, Jiang S, Dai QY Tricyclononene carboxamide derivatives as novel anti-HIV-1 agents Eur J Med Chem 2010 45:4096-4103
Qin F, Chen Y, Wu M, Li Y, Zhang J （通讯作者）, Chen HF Induced Fit or Conformational Selection for RNA/U1A folding RNA 2010 16:1053-1061
Lin P, Hu T, Hu J, Yu W, Han C, Zhang J （共同第一作者）, Qin G, Yu K, G?tz F, Shen X, Jiang H, Qu D Characterization of peptide deformylase homologues from Staphylococcus epidermidis Microbiology 2010 156:3194-3202
Zhao Y, Lu X, Yang CY, Huang Z, Fu W, Hou T, Zhang J （通讯作者） Computational Modeling Toward Understanding Agonist Binding on Dopamine 3 J Chem Inf Model 2010 50:1633-1643
Jian Zhang, Chenjing Li, Ting Shi, Kaixian Chen, Xu Shen, Hualiang Jiang. Glucokinase Is a Determinant for Glucose Phosphorylation: Implication for the Atomic Mechanism of Glucokinase Catalysis PLOS ONE 2009 4:e6304
Cindy Gomez, Longchuan Bai, Jian Zhang, Zaneta Nikolovska-Coleska, Jianyong Chen, Han Yi, Shaomeng Wang Design, Synthesis and Evaluation of Peptidomimetics Containing Freidinger Lactams as STAT3 Inhibitors Bioorg. Med. Chem. Lett 2009 19:1733-1736
Yu XL, Hu T, Du JM, Yang XM, Jian Zhang, Yang B, Shen X, Zhang Z, Zhong WD, Wen N, Ding JP, Jiang H, Zhu P, Chen ZN Crystal structure of HAb18G/CD147: implications for immunoglobulin superfamily homophilic adhesion J. Biol. Chem. 2008 283:18056-18065.
Shangary S, Qin D, McEachern D, Liu M, Miller RS, Qiu S, Nikolovska-Coleska Z, Ding K, Wang G, Chen J, Bernard D, Jian Zhang, Lu Y, Gu Q, Shah RB, Pienta KJ, Ling X, Kang S, Guo M, Sun Y, Yang D, Shaomeng Wang. Temporal activation of p53 by a specific MDM2 inhibitor is selectively toxic to tumors and leads to complete tumor growth inhibition Proc. Natl. Acad. Sci. USA. 2008 105:3933-3938.
Shuai Chen, Tiancen Hu, Jian Zhang （共同第一作者）, Jing Chen, Kaixian Chen, Hualiang Jiang, Xu Shen Mutation of Gly11 on the Dimer Interface Results in the Complete Crystallographic Dimer Dissociation of SARS-CoV 3CLpro: Crystal Structure in Conjunction with Molecular Dynamics Simulations J. Biol. Chem. 2008 283:554-564.
Shuai Chen, Jian Zhang, Lili Chen, Kaixian Chen, Hualiang Jiang, Xu Shen Residues on the Dimer Interface of SARS Coronavirus 3C-like Protease: Dimer Stability Characterization and Enzyme Catalytic Activity Analysis. The Journal of Biochemistry 2008 143:552-536
Chen Jianyong, Collins Gregory, Jian Zhang, Chao-Yie Yang, Levant Beth, Woods James, Shaomeng Wang. Design, Synthesis and Evaluation of a Potent and Selective Ligand for the Dopamine 3 (D3) Receptor with a Novel In vivo Behavioral Profile. J. Med. Chem. 2008 51:5905-5908
Aijun Lu, Jian Zhang, Xiaojin Yin, Xiaomin Luo, Hualiang Jiang Farnesyltransferase pharmacophore model derived from diverse classes of inhibitors Bioorg. Med. Chem. Lett 2007 15:243-249.
Zhiqiang Qin, Baoleri Lee, Lei Yang, Jian Zhang, Xiaomei Yang, Di Qu, Hualiang Jiang, Soeren Molin Anti-microbial Activities of YycG Histidine Kinase Inhibitors against Staphylococcus epidermidis Biofilms FEMS Microbiology Letters 2007 273:149-156
Deju Ye, Jian Li, Jian Zhang, Hong Liu, Hualiang Jiang Simultaneous stereoselective 4-amination with cyclic secondary amines and 2-O-deacetylation of peracetylated sialic acid derivatives. Tetrahedron Letter 2007 48:4023-4027
Cong Han, Jian Zhang （共同第一作者）, Lili Chen, Kaixian Chen, Xu Shen, Hualiang Jiang Discovery of Helicobacter pylori shikimate kinase inhibitors: bioassay and molecular modeling Bioorg. Med. Chem. 2007 15:656-662
Min Huang, Heyong Gao, Yi Chen, Hong Zhu, Yujun Cai, Xiongwen Zhang, Zehong Miao, Hualiang Jiang Chimmitecan, a Novel 9-Substituted Camptothecin, with Excellent Improvement in Anti-cancer Pharmacological Profiles both In Vitro and In Vivo Clincial Cancer Research 2007 6:484-495
Juwen Shen, Jian Zhang （共同第一作者）, Xiaomin Luo, Weiliang Zhu, Kunqian Yu, Yixue Li, Hualiang Jiang Predicting protein-protein interactions based only on sequences information. Proc. Natl. Acad. Sci. USA. 2007 104:4337-4341
Jian Li, Jian Zhang （共同第一作者）, Jing Chen, Xiaomin Luo, Weiliang Zhu, Jianhua Shen, Hong Liu, Xu Shen, Hualiang, Jiang An Effective Strategy for Discovering Novel Chemical Inhibitors of Human Cyclophilin A: Focused Library Design, Virtual Screening, Chemical Synthesis and Bioassay J. Comb. Chem. 2006 8:326-337
Jian Li, Jin-zhi Tan, Li-li Chen, Jian Zhang, Xu Shen, Chang-lin Mei, Li-li Fu, Li-ping Lin, Jian Ding, Bing Xiong, Hong Liu, Xiao-min Luo, Hua-liang Jiang Design, synthesis and antitumor evaluation of a new series of N-substituted-thiourea derivatives. Acta Pharmacologica Sinica 2006 27:1259-1271.
Jian Zhang, Chenjing Li, Kaixian Chen, Weiliang Zhu, Xu Shen, Hualiang Jiang Conformational transition pathway in the allosteric process of human glucokinase Proc. Natl. Acad. Sci. USA. 2006 103:13368-13373.
Jianhua Cai, Cong Han, Tianchen Hu, Jian Zhang, Fangdao Wang, Yunqing Liu, Jianping Ding, Kaixian Chen, Jianmin Yue, Xu Shen, Hualiang Jiang PDF Enzyme is a Potential Target for Anti-Helicobacter pylori Drugs: Reverse Docking, Enzymatic assay and X-ray Crystallography Validation Protein Sci. 2006 15:2071-2081
Jian Li, Jing Chen, Chunshan Gui, Li Zhang, Yu Qin, Qiang Xu, Jian Zhang, Hong Liu, Xu Shen and Hualiang Jiang Discovering novel chemical inhibitors of human cyclophilin A: Virtual screening, synthesis, and bioassay Bioorg. Med. Chem 2006 14:2209-2224
Jian Zhang, KunQian Yu, Weiliang Zhu, Hualiang Jiang. Neuraminidase pharmacophore model derived from diverse classes of inhibitors Bioorg. Med. Chem. Lett 2006 16:3009-3014.
Zhiqiang Qin, Jian Zhang （共同第一作者）, Bin Xu, Lili Chen, Yang Wu, Yuanzhu Ou, Xiaomei Yang, Xu Shen, Hualiang Jiang, Di Qu Structure-based discovery of inhibitors of the YycG histidine kinase: New chemical leads to combat Staphylococcus epidermidis infections BMC MICROBIOL. 2006 6:96-114
Gang Chen, Suxin Zheng, Xiaomin Luo, Jianhua Shen, Weiliang Zhu, Hong Liu, Chunshan Gui, Jian Zhang, Mingyue Zheng, Chum Mok Puah, Kaixian Chen, Hualiang Jiang. Focused Combinatorial Library Design Based on Structural Diversity, Druglikeness and Binding Affinity Score J. Comb. Chem. 2005 7:398-406
Jian Zhang, Yechun Xu, Jianhua Shen, Xiaomin Luo, Jiagao Chen, Kaixian Chen, Weiliang Zhu, and Hualiang Jiang. Dynamic Mechanism for the Autophosphorylation of CheA Histidine Kinase: Molecular Dynamics Simulations. J. AM. CHEM. SOC. 2005 127:11709-11719
Jian Zhang, Xiao-Hui Zhu, Peng Hao, Yun-Tao Mao, Xin Sun, Le-Meng Wu, Guo-Hui Li, Xiao-Yan Qiu Immunoglobulin G expression in lung cancer cells. ACTA BIOCHIMICA et BIOPHYSICA SINICA . 2003 35:197-214
Xiaoyan Qiu, Xiaohui Zhu, Liang Zhang, Yuntao Mao, Jian Zhang, Peng Hao, Guohui Li, Peng Lv, Zhixin Li, Xin Sun, Lemeng Wu, Jie Zheng, Yuqing Deng, Chunmei Hou, Peixian Tang, Shuren Zhang and Youhui Zhang Human Epithelial Cancers Secrete Immunoglobulin G with Unidentified Specificity to Promote Growth and Survival of Tumor Cells. Cancer Research 2003 63:6488-6495