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Structure-Activity Relationship

  • 1.
    Li Z, Jin X, Wu T, Zhao X, Wang W, Lei J, Pan X, Yan N. Structure of human Na1.5 reveals the fast inactivation-related segments as a mutational hotspot for the long QT syndrome. Proc Natl Acad Sci U S A. 2021;118(11). PMCID: PMC7980460
    Reference Link
  • 1.
    Pan X, Li Z, Jin X, Zhao Y, Huang G, Huang X, Shen Z, Cao Y, Dong M, Lei J, Yan N. Comparative structural analysis of human Na1.1 and Na1.5 reveals mutational hotspots for sodium channelopathies. Proc Natl Acad Sci U S A. 2021;118(11). PMCID: PMC7980448
    Reference Link
  • 1.
    Huang J, Yuan Y, Zhao N, Pu D, Tang Q, Zhang S, Luo S, Yang X, Wang N, Xiao Y, Zhang T, Liu Z, Sakata-Kato T, Jiang X, Kato N, Yan N, Yin H. Orthosteric-allosteric dual inhibitors of PfHT1 as selective antimalarial agents. Proc Natl Acad Sci U S A. 2021;118(3). PMCID: PMC7826358
    Reference Link
  • 1.
    Leicher R, Ge E, Lin X, Reynolds M, Xie W, Walz T, Zhang B, Muir T, Liu S. Single-molecule and in silico dissection of the interaction between Polycomb repressive complex 2 and chromatin. Proc Natl Acad Sci U S A. 2020;117(48):30465–30475. PMCID: PMC7720148
    Reference Link
  • 1.
    Qian H, Wu X, Du X, Yao X, Zhao X, Lee J, Yang H, Yan N. Structural Basis of Low-pH-Dependent Lysosomal Cholesterol Egress by NPC1 and NPC2. Cell. 2020;182(1):98–111.e18. PMID: 32544384
    Reference Link
  • 1.
    McCready A, Paczkowski J, Henke B, Bassler B. Structural determinants driving homoserine lactone ligand selection in the LasR quorum-sensing receptor. Proc Natl Acad Sci U S A. 2019;116(1):245–254. PMCID: PMC6320529
    Reference Link
  • 1.
    Wang L, Qian H, Nian Y, Han Y, Ren Z, Zhang H, Hu L, Prasad B, Laganowsky A, Yan N, Zhou M. Structure and mechanism of human diacylglycerol O-acyltransferase 1. Nature. 2020;581(7808):329–332. PMCID: PMC7255049
    Reference Link
  • 1.
    Greenberg P, Chandler J, Seyedsayamdost M. The Chemistry and Biology of Bactobolin: A 10-Year Collaboration with Natural Product Chemist Extraordinaire Jon Clardy. J Nat Prod. 2020;83(3):738–743. PMCID: PMC8118907
    Reference Link
  • 1.
    Valastyan J, Tota M, Taylor I, Stergioula V, Hone G, Smith C, Henke B, Carson K, Bassler B. Discovery of PqsE Thioesterase Inhibitors for Using DNA-Encoded Small Molecule Library Screening. ACS Chem Biol. 2020;15(2):446–456. PMCID: PMC7036018
    Reference Link
  • 1.
    Huang X, Duddy O, Silpe J, Paczkowski J, Cong J, Henke B, Bassler B. Mechanism underlying autoinducer recognition in the DPO-VqmA quorum-sensing pathway. J Biol Chem. 2020;295(10):2916–2931. PMCID: PMC7062168
    Reference Link
  • 1.
    Durán A, Greco T, Vollmer B, Cristea I, Grünewald K, Topf M. Protein interactions and consensus clustering analysis uncover insights into herpesvirus virion structure and function relationships. PLoS Biol. 2019;17(6):e3000316. PMCID: PMC6594648
    Reference Link
  • 1.
    Chitrakar A, Rath S, Donovan J, Demarest K, Li Y, Sridhar R, Weiss S, Kotenko S, Wingreen N, Korennykh A. Real-time 2-5A kinetics suggest that interferons β and λ evade global arrest of translation by RNase L. Proc Natl Acad Sci U S A. 2019;116(6):2103–2111. PMCID: PMC6369740
    Reference Link
  • 1.
    Paczkowski J, McCready A, Cong J-P, Li Z, Jeffrey P, Smith C, Henke B, Hughson F, Bassler B. An Autoinducer Analogue Reveals an Alternative Mode of Ligand Binding for the LasR Quorum-Sensing Receptor. ACS Chem Biol. 2019;14(3):378–389. PMCID: PMC6601336
    Reference Link
  • 1.
    Wang Y, Huang Y, Wang J, Cheng C, Huang W, Lu P, Xu Y-N, Wang P, Yan N, Shi Y. Structure of the formate transporter FocA reveals a pentameric aquaporin-like channel. Nature. 2009;462(7272):467–72. PMID: 19940917
    Reference Link
  • 1.
    Hao Q, Yin P, Yan C, Yuan X, Li W, Zhang Z, Liu L, Wang J, Yan N. Functional mechanism of the abscisic acid agonist pyrabactin. J Biol Chem. 2010;285(37):28946–52. PMCID: PMC2937921
    Reference Link
  • 1.
    Lu F, Li S, Jiang Y, Jiang J, Fan H, Lu G, Deng D, Dang S, Zhang X, Wang J, Yan N. Structure and mechanism of the uracil transporter UraA. Nature. 2011;472(7342):243–6. PMID: 21423164
    Reference Link
  • 1.
    Zhang X, Ren W, DeCaen P, Yan C, Tao X, Tang L, Wang J, Hasegawa K, Kumasaka T, He J, Wang J, Clapham D, Yan N. Crystal structure of an orthologue of the NaChBac voltage-gated sodium channel. Nature. 2012;486(7401):130–4. PMCID: PMC3979295
    Reference Link
  • 1.
    Sun L, Zeng X, Yan C, Sun X, Gong X, Rao Y, Yan N. Crystal structure of a bacterial homologue of glucose transporters GLUT1-4. Nature. 2012;490(7420):361–6. PMID: 23075985
    Reference Link
  • 1.
    Deng D, Xu C, Sun P, Wu J, Yan C, Hu M, Yan N. Crystal structure of the human glucose transporter GLUT1. Nature. 2014;510(7503):121–5. PMID: 24847886
    Reference Link
  • 1.
    Bai X-C, Yan Z, Wu J, Li Z, Yan N. The Central domain of RyR1 is the transducer for long-range allosteric gating of channel opening. Cell Res. 2016;26(9):995–1006. PMCID: PMC5034110
    Reference Link
  • 1.
    Deng D, Sun P, Yan C, Ke M, Jiang X, Xiong L, Ren W, Hirata K, Yamamoto M, Fan S, Yan N. Molecular basis of ligand recognition and transport by glucose transporters. Nature. 2015;526(7573):391–6. PMID: 26176916
    Reference Link
  • 1.
    Huang W, Liu M, Yan F, Yan N. Structure-based assessment of disease-related mutations in human voltage-gated sodium channels. Protein Cell. 2017;8(6):401–438. PMCID: PMC5445024
    Reference Link
  • 1.
    Ke M, Yuan Y, Jiang X, Yan N, Gong H. Molecular determinants for the thermodynamic and functional divergence of uniporter GLUT1 and proton symporter XylE. PLoS Comput Biol. 2017;13(6):e1005603. PMCID: PMC5491310
    Reference Link
  • 1.
    Paczkowski J, Mukherjee S, McCready A, Cong J-P, Aquino C, Kim H, Henke B, Smith C, Bassler B. Flavonoids Suppress Virulence through Allosteric Inhibition of Quorum-sensing Receptors. J Biol Chem. 2017;292(10):4064–4076. PMCID: PMC5354481
    Reference Link
  • 1.
    Ding Q, Heller B, Capuccino J, Song B, Nimgaonkar I, Hrebikova G, Contreras J, Ploss A. Hepatitis E virus ORF3 is a functional ion channel required for release of infectious particles. Proc Natl Acad Sci U S A. 2017;114(5):1147–1152. PMCID: PMC5293053
    Reference Link
  • 1.
    Holt M, David Y, Pollock S, Tang Z, Jeon J, Kim J, Roeder R, Muir T. Identification of a functional hotspot on ubiquitin required for stimulation of methyltransferase activity on chromatin. Proc Natl Acad Sci U S A. 2015;112(33):10365–70. PMCID: PMC4547310
    Reference Link
  • 1.
    Cosgrove M, Bever K, Avalos J, Muhammad S, Zhang X, Wolberger C. The structural basis of sirtuin substrate affinity. Biochemistry. 2006;45(24):7511–21. PMID: 16768447
    Reference Link
  • 1.
    McKoy A, Chen J, Schüpbach T, Hecht M. Structure-activity relationships for a series of compounds that inhibit aggregation of the Alzheimer’s peptide, Aβ42. Chem Biol Drug Des. 2014;84(5):505–12. PMCID: PMC4197064
    Reference Link
  • 1.
    Chen G, Swem L, Swem D, Stauff D, O’Loughlin C, Jeffrey P, Bassler B, Hughson F. A strategy for antagonizing quorum sensing. Mol Cell. 2011;42(2):199–209. PMCID: PMC3092643
    Reference Link
  • 1.
    Ng W-L, Perez L, Cong J, Semmelhack M, Bassler B. Broad spectrum pro-quorum-sensing molecules as inhibitors of virulence in vibrios. PLoS Pathog. 2012;8(6):e1002767. PMCID: PMC3386246
    Reference Link
  • 1.
    Miller L, O’Loughlin C, Zhang Z, Siryaporn A, Silpe J, Bassler B, Semmelhack M. Development of potent inhibitors of pyocyanin production in Pseudomonas aeruginosa. J Med Chem. 2015;58(3):1298–306. PMCID: PMC4332565
    Reference Link

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