The Marty Lab

Marty, M.T.Guest Editorial: Bias in Mass Spectrometry Technical SupportJ. Am. Soc. Mass Spectrom. 2022, DOI: 10.1021/jasms.2c00258.

Marty, M.T. "Fundamentals: How Do We Calculate Mass, Error, and Uncertainty in Native Mass Spectrometry?" J. Am. Soc. Mass. Spectr. 2022, DOI: 10.1021/jasms.1022c00218.

Kostelic, M.M.; Ryan, J.P.; Brown, L.S.; Jackson, T.W.; Hsieh, C.C.; Zak, C.K.; Sanders, H.M.; Liu, Y.; Chen, V.S.; Byrne, M.; Aspinwall, C.A.; Baker, E.S.; Marty, M.T.Stability and Dissociation of Adeno-Associated Viral Capsids by Variable Temperature-Charge Detection-Mass Spectrometry.” Anal. Chem. 2022, DOI: 10.1021/acs.analchem.1022c02378.

Sacco, M.D.; Wang, S.; Adapa, S.R.; Zhang, X.; Lewandowski, E.M.; Gongora, M.V.; Keramisanou, D.; Atlas, Z.D.; Townsend, J.A.; Gatdula, J.R.; Morgan, R.T.; Hammond, L.R.; Marty, M.T.; Wang, J.; Eswara, P.J.; Gelis, I.; Jiang, R.H.Y.; Sun, X.; Chen, Y. “A unique class of Zn2+-binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile.Nat. Commun. 2022, 13, 4370.

Kostelic, M.M.; Marty, M.T.: Deconvolving Native and Intact Protein Mass Spectra with UniDec. In Proteoform Identification: Methods and Protocols; Sun, L., Liu, X., Eds.; Springer US: New York, NY, 2022; pp 159-180.

Keener, J.E.; Jayasekera, H.S.; Marty, M.T.Investigating the Lipid Selectivity of Membrane Proteins in Heterogeneous Nanodiscs.” Anal. Chem. 2022, DOI:10.1021/acs.analchem.2c01488.

Sanders, H.M.; Kostelic, M.M.; Zak, C.K.; Marty, M.T. “Lipids and Small Molecules Affect α-synuclein Association and Disruption of Nanodiscs.” Biochemistry 2022, DOI: 10.1021/acs.biochem.2c00160.

Kostelic, M.M.; Hsieh, C.C.; Sanders, H.M.;Zak, C.K.; Ryan, J.P.; Baker, E.S.; Aspinwall, C.A.; Marty, M.T. Surface Modified Nano-Electrospray Needles Improve Sensitivity for Native Mass Spectrometry.” J. Am. Soc. Mass Spectrom. 2022, DOI: 10.1021/jasms.2c00087

Sivinski, J.; Ngo, D.; Zerio, C.J.; Ambrose, A.J.; Watson, E.R.; Kaneko, L.K.; Kostelic, M.M.; Stevens, M.; Ray, A.M.; Park, Y.; Wu, C.; Marty, M.T.; Hoang, Q.Q.; Zhang, D.D.; Lander, G.C.; Johnson, S.M.; Chapman, E. “Allosteric differences dictate GroEL complementation of E. coli.FASEB J. 2022, 36, e22198.

Walker, L.R.; Marty, M.T.Lipid Tails Modulate Antimicrobial Peptide Membrane Incorporation and Activity.Biochim. Biophys. Acta Biomembr. 2022, DOI: 10.1016/j.bbamem.2022.183870.

Swansiger, A.K.; Marty, M.T.; Prell, J.S. “Fourier-Transform Approach for Reconstructing Macromolecular Mass Defect Profiles.” J. Am. Soc. Mass Spectrom. 2022, 33, 172-180.

Reid, D.J.; Rohrbough, J.G.; Kostelic, M.M.; Marty, M.T.Investigating Antimicrobial Peptide-Membrane Interactions Using Fast Photochemical Oxidation of Peptides in Nanodiscs.” J. Am. Soc. Mass Spectrom.2022, 33, 62-67.

Sanders, H.M.; Jovcevski, B.; Marty, M.T.; Pukala, T.L. “Structural and mechanistic insights into amyloid-β and α-synuclein fibril formation and polyphenol inhibitor efficacy in phospholipid bilayers.” FEBS J. 2022, 289, 215-230.

Ma, C.; Xia, Z.; Sacco, M.D.; Hu, Y.; Townsend, J.A.; Meng, X.; Choza, J.; Tan, H.; Jang, J.; Gongora, M.V.; Zhang, X.; Zhang, F.; Xiang, Y.; Marty, M.T.; Chen, Y.; Wang, J. “Discovery of di- and trihaloacetamides as covalent SARS-CoV-2 main protease inhibitors with high target specificity.” J. Am. Chem. Soc. 2021, 143, 20697-20709.

Townsend, J.A.; Sanders, H.M.; Rolland, A.D.; Park, C.K.; Horton, N.C.; Prell, J.S.; Wang, J; Marty, M.T.Influenza A M2 Channel Oligomerization is Sensitive to its Chemical Environment.” Anal Chem. 2021, 93, 16273-16281.

Petras, D.; Phelan, V.V.; Acharya, D.; Allen, A.E.; Aron, A T.; Bandeira, N.; Bowen, B.P.; Belle-Oudry, D.; Boecker, S.; Cummings, D.A.; Deutsch, J.M.; Fahy, E.; Garg, N.; Gregor, R.; Handelsman, J.; Navarro-Hoyos, M.; Jarmusch, A.K.; Jarmusch, S.A.; Louie, K.; Maloney, K.N.; Marty, M.T.; Meijler, M. M.; Mizrahi, I.; Neve, R.L.; Northen, T.R.; Molina-Santiago, C.; Panitchpakdi, M.; Pullman, B.; Puri, A.W.; Schmid, R.; Subramaniam, S.; Thukral, M.; Vasquez-Castro, F.; Dorrestein, P.C.; Wang, M. “GNPS Dashboard: collaborative exploration of mass spectrometry data in the web browser.Nat. Methods 2021, DOI: 10.1038/s41592-41021-01339-41595.

Kostelic, M.M.; Zak, C.K.; Liu, Y.; Chen, V.; Wu, Z.; Sivinski, J.; Chapman, E.; Marty, M.T.UniDecCD: Deconvolution of Charge Detection-Mass Spectrometry Data.” Anal. Chem. 2021, 93, 14722-14729.

Davis, G.J.; Townsend, J.A.; Morrow, M.G.; Hamie, M.; Shepard, A.; Hsieh, J.; Marty, M.T.; Jewett, J.C. “Protein modification via mild photochemical isomerization of triazines to release diazonium ions.” Bioconjug. Chem. 2021, 32, 2432-2438.

Vimer, S.; Ben-Nissan, G.; Marty, M.T.; Fleishman, S.J.; Sharon, M. “Direct-MS analysis of antibody-antigen complexes.” Proteomics. 2021, e2000300.

Cater, R.J.; Chua, G.L.; Erramilli, S.K.; Keener, J.E.; Choy, B.C.; Tokarz, P.; Chin, C.F.; Quek, D.Q. Y.; Kloss, B.; Pepe, J.G.; Parisi, G.; Wong, B.H.; Clarke, O.B.; Marty, M.T.; Kossiakoff, A.A.; Khelashvili, G.; Silver, D.L.; Mancia, F. Structural basis of omega-3 fatty acid transport across the blood–brain barrier. Nature 2021, 595, 315-319.

Ma, C.; Sacco, M.D.; Xia, Z.; Lambrinidis, G.; Townsend, J.A.; Hu, Y.; Meng, X.; Szeto, T.; Ba, M.; Zhang, X.; Gongora, M.; Zhang, F.; Marty, M.T.; Xiang, Y.; Kolocouris, A.; Chen, Y.; Wang, J. “Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay.ACS Cent. Sci. 2021, 7, 1245-1260.

Ruotolo, B.; Marty, M.T.Native Mass Spectrometry for Structural Biology: A Perspective.Int. J. Mass Spectrom. 2021, 116655.

Sung, Y.; Wangbin, W.; Ewbank, M.A.; Utterback, R.D.; Marty, M.T.; Tomat, E. “Albumin conjugates of thiosemicarbazone and imidazole-2-thione prochelators: Iron coordination and antiproliferative activity.ChemMedChem 2021, 16, 2764-2768.

Kitamura, N.; Sacco, M.D.; Ma, C.; Hu, Y.; Townsend, J.A.; Meng, X.; Zhang, F.; Zhang, X.; Ba, M.; Szeto, T.; Kukuljac, A.; Marty, M.T.; Schultz, D.; Cherry, S.; Xiang, Y.; Chen, Y.; Wang, J. "Expedited Approach toward the Rational Design of Noncovalent SARS-CoV-2 Main Protease Inhibitors" J. Med. Chem. 2021, DOI: 10.1021/acs.jmedchem.1c00509.

Kostelic, M.M.; Zak, C.K.; Jayasekera, H.S.; Marty, M.T. Assembly of Model Membrane Nanodiscs for Native Mass SpectrometryAnal. Chem. 2021, 93, 5972-5979.

Shepard, A.J.; Townsend, J.A.; Foley, C.; Hulme, C.; Marty, M.T.; Jewett, J.C. “Suzuki Coupling of Protected Aryl Diazonium Ions: Expanding the Knowledge of Triazabutadiene Compatible ReactionsOrg. Lett. 2021, 23, 1851-1855.

Wijetunge, A.N.; Davis, G.J.; Shadmehr, M.; Townsend, J.A.; Marty, M.T.; Jewett, J.C. “Copper-free click enabled triazabutadiene for biorthogonal protein functionalizationBioconjug. Chem. 2021, 32, 254-258.

Marty, M.T. "Illuminating Individual Membrane Protein Complexes with Mass Photometry." Chem 2021, 7, 16-17.

Norris, C.; Keener, J.E.; Perera, S.M.D.C.; Weerasinghe, N.; Fried, S.D.E.; Resager, W.C.; Rohrbough, J.G.; Brown, M.F.; Marty, M.T.Native Mass Spectrometry Reveals the Simultaneous Binding of Lipids and Zinc to Rhodopsin Int. J. Mass Spectrom. 2021. 460, 116477.

Harvey, S.R.; Van Aernum, Z.L.; Kostelic, M.M.; Marty, M.T.; Wysocki, V.H. “Probing the structures of nanodiscs using surfaced-induced dissociation mass spectrometryChem. Comm. 2020. 56, 15651-15654.

Sacco, M.D.; Ma, C.; Lagarias, P.; Gao, A.; Townsend, J.A.; Meng, X.; Dube, P.; Zhang, X.; Hu, Y.; Kitamura, N.; Hurst, B.; Tarbet, B.; Marty. M.T.; Kolocouris, A.; Xiang, Y.; Chen, Y.; Wang, J. “Structure and inhibition of the SARS-CoV-2 main protease reveals strategy for developing dual inhibitors against Mpro and cathepsin L”. Sci. Adv. 2020. 6, eabe0751.

Keener, J.E.; Zhang, G.; Marty, M.T.Native Mass Spectrometry of Membrane ProteinsAnal. Chem. 2020. 93, 583-597.

Ma, C.; Hu, Y.; Townsend, J.A.; Lagarias, P.I.; Marty, M.T.; Kolocouris, A.; Wang, J. “Ebselen, Disulfiram, Carmofur, PX-12, Tideglusib, and Shikonin Are Nonspecific Promiscuous SARS-CoV-2 Main Protease Inhibitors”. ACS Pharmacol. Transl. Sci. 2020. 3, 1265-1277.

Marty, M.T.Nanodiscs and Mass Spectrometry: Making Membranes FlyInt. J. Mass Spectrom. 2020, 458, 116436.

Tan, Y.Z.; Rodrigues, J.; Keener, J.E.; Zheng, R.B.; Brunton, R.; Kloss, B.; Giacometti, S.I.; Rosario, A.L.; Zhang, L.; Niederweis, M.; Clarke, O.B.; Lowary, T.L.; Marty, M.T.; Archer, M.; Potter, C.S.; Carragher, B.; Mancia, F. “Cryo-EM Structure of Arabinosyltransferase EmbB from Mycobacterium smegmatisNature Commun. 2020, 11, 3396.

Ma, C.; Sacco, M.D.; Hurst, B.; Townsend, J.A.; Hu, Y.; Szeto, T.; Zhang, X.; Tarbet, B.; Marty, M.T.; Chen, Yu; Wang, J. “Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main proteaseCell Research. 2020, 30, 678-692.

Walker, L.R.; Marty, M.T.Revealing the Specificity of a Range of Antimicrobial Peptides in Lipid Nanodiscs by Native Mass SpectrometryBiochemistry. 2020, 59, 2135-2142.

Zhang, G.; Keener, J.E.; Marty, M.T.Measuring Remodeling of the Lipid Environment Surrounding Membrane Proteins with Lipid Exchange and Native Mass Spectrometry.Anal. Chem. 2020, 92, 5666-5669.

Marty, M.T.A Universal Score for Deconvolution of Intact Protein and Native Electrospray Mass Spectra.Anal. Chem. 2020, 92, 4395-4401.

Sahin, C.; Reid, D.J.; Marty, M.T.; Landreh, M. “Scratching the surface: Native mass spectrometry of peripheral membrane protein complexes.” Biochem. Soc. Trans. 2020, 48, 547-558.

Townsend, J.A.; Keener, J.E.; Miller, Z.; Prell, J.S.; Marty, M.T. "Imidazole Derivatives Improve Charge Reduction and Stabilization for Native Mass Spectrometry." Anal. Chem. 2019, 91, 14765-14772.

Marty. M.T.Eliminating Artifacts in Electrospray Deconvolution with a SoftMax Function.” J. Am. Soc. Mass Spectrom. 2019, 30, 2174-2177.

Walker, L.R.; Marzluff, E.M.; Townsend, J.A.; Resager, W.C.; Marty, M.T. "Native Mass Spectrometry of Antimicrobial Peptides in Lipid Nanodiscs Elucidates Complex Assembly." Anal. Chem. 2019, 91, 9284-9291.

Kostelic, M.M.; Ryan, A.M.; Reid, D.J.; Noun, J.M.; Marty, M.T. Expanding the Types of Lipids Amenable to Native Mass Spectrometry of Lipoprotein Complexes. J. Am. Soc. Mass Spectrom. 201930, 1416-1425.

Musharrafieh, R.; Ma, C; Zhang, J.; Hu, Y.; Diesing, J. M.; Marty, M. T.; Wang J. Validating Enterovirus D68-2Apro as an Antiviral Drug Target and the Discovery of Telaprevir as a potent D68-2Apro Inhibitor. J. Virology. 2019, 93, JVI.02221-02218.

Keener, J.E.; Zambrano, D.E.; Zhang, G.; Zak, C.K.; Reid, D.J.; Deodhar, B.S.; Pemberton, J.E.; Prell, J.S.; Marty, M.T. Chemical additives enable native mass spectrometry measurement of membrane protein oligomeric state within intact nanodiscs. J. Am. Chem. Soc. 2019141. 1054-1061.

Reid, D. J.; Diesing, J. M.; Miller, M. A.; Perry, S. M.; Wales, J. A.; Montfort, W. R.; Marty, M. T. MetaUniDec: High-Throughput Deconvolution of Native Mass Spectra. J. Am. Soc. Mass. Spectrom. 201930, 118-127.

Lippins, J.L.; Egea, P.F.; Spahr, C.; Vaish, A.; Keener, J.E.; Marty, M.T.; Loo, J.A.; Campuzano, I.D.G. A Rapid LC-MS Method for Accurate Molecular Weight Determination of Membrane and Hydrophobic ProteinsAnal. Chem. 201890, 13616-13623.

Reid, D.J.; Keener, J.E.; Wheeler, A.P.; Zambrano, D.E.; Diesing, J.M.; Reinhardt-Szyba, M.; Makarov, A.A.; Marty, M.T. "Engineering Nanodisc Scaffold Proteins for Native Mass SpectrometryAnal. Chem. 2017, 89, 11189-11192.

Moutal, A.; Wang, Y.; Yang, X.; Ji, Y.; Luo, S.; Dorame, A.; Bellampalli, S. S.; Chew, L. A.; Cai, S.; Dustrude, E. T.; Keener, J. E.; Marty, M. T.; Vanderah, T. W.; Khanna, R. "Dissecting the role of the CRMP2-neurofibromin complex on pain behaviors" Pain 2017. 158, 2203-2221.

Marty, M.T.; Hoi, K.K.; Robinson, C.V. "Interfacing Membrane Mimetics with Mass Spectrometry" Acc. Chem. Res. 2016, 49, 2459–2467.

Prior Work

Hochberg, G. K. A.; Shepherd, D. A.; Marklund, E. G.; Santhanagoplan, I.; Degiacomi, M. T.; Laganowsky, A.; Allison, T. M.; Basha, E.; Marty, M. T.; Galpin, M. R.; Struwe, W. B.; Baldwin, A. J.; Vierling, E.; Benesch, J. L. P. Structural principles that enable oligomeric small heat-shock protein paralogs to evolve distinct functions. Science 2018, 359, 930.

Hoi, K.K.; Robinson, C.V.; Marty, M.T.Unraveling the Composition and Behavior of Heterogeneous Lipid Nanodiscs by Mass SpectrometryAnal. Chem. 2016, 88, 6199-6204.

Landreh, M.; Marty, M.T.; Gault, J.; Robinson, C.V. “A sliding selectivity scale for lipid binding to membrane proteinsCurr. Opin. Struct. Biol. 2016, 39, 54-60.

Gault, J.; Donlan, J. A.C.; Liko, I.; Hopper, J.T.S.; Gupta, K.; Housden, N.G.; Struwe, W.B.; Marty, M.T.; Mize, T.; Bechara, C.; Zhu, Y.; Wu, B.; Kleanthous, C.; Belov, M.; Damoc, E.; Makarov, A.; Robinson, C.V. “High-resolution mass spectrometry of small molecules bound to membrane proteinsNat. Meth. 2016, 13, 333-336.

Marty, M.T.; Hoi, K.K.; Gault, J.; Robinson, C.V. “Probing the Lipid Annular Belt by Gas-phase Dissociation of Membrane Proteins in NanodiscsAngew. Chemie. Int. Ed. 2016, 55, 550-554.

Reading, E.; Walton, T.A.; Liko, I.; Marty, M.T.; Laganowsky, A.; Rees, D.C.; Robinson, C.V. “The Effect of Detergent, Temperature, and Lipid on the Oligomeric State of MscL Constructs: Insights from Mass SpectrometryChem. Biol. 2015, 22, 593-603.

Wilcox, K.C.; Marunde, M.; Das, A.; Velasco, P.T.; Kuhns, B.; Marty, M.T.; Jiang, H.; Lacor, P.; Luan, C.-H.; Sligar, S.G.; Klein, W.L. “Nanoscale Synaptic Membrane Mimetic Allows Unbiased High Throughput Screen that Targets Binding Sites for Alzheimer's-associated Aβ OligomersPLoS One. 2015, DOI: 10.1371/journal.pone.0125263

Marty, M.T.; Baldwin A.J.; Marklund, E.G.; Hochberg, G.K.A.; Benesch, J.L.P.; Robinson C.V. “Bayesian Deconvolution of Mass and Ion Mobility Spectra: From Binary Interactions to Polydisperse EnsemblesAnal. Chem. 2015, 87, 4370-4376.

Shepherd, D.A.; Marty, M.T.; Giles, K; Baldwin, A.J.; Benesch J.L.P. “Combining Tandem Mass Spectrometry with Ion Mobility Separation to Determine the Architecture of Polydisperse ProteinsInt. J. Mass Spectrom. 2015, 377, 663-671.

Marty, M.T.; Zhang, H.; Cui, W.; Gross, M.L.; Sligar, S.G. “Interpretation and Deconvolution of Nanodisc Native Mass SpectraJ. Am. Soc. Mass Spectrom. 2014, 25, 269-277.

Sloan, C.D.K.; Marty, M.T.; Sligar, S.G.; Bailey, R.C. “Investigating Lipid-Protein and Protein-Protein Interactions via Nanodiscs Immobilized on Silicon Photonic Sensor ArraysAnal. Chem. 2013, 85, 2970-2976.

Marty, M.T.; Wilcox, K.C.; Klein, W.L.; Sligar, S.G. “Nanodisc-Solubilized Membrane Protein Library Reflects the Membrane ProteomeAnal. Bioanal. Chem. 2013, 405, 4009-4016.

Marty, M.T.; Beussman, D.J. “Simulating a Time-of-Flight Mass Spectrometer: A LabView® ExerciseJ. Chem. Ed.  2013, 90, 239-243.

Marty, M.T.; Zhang, H.; Cui, W.; Blankenship, R.E.; Gross, M.L.; Sligar, S.G. “Native Mass Spectrometry Characterization of Intact Nanodisc Lipoprotein ComplexesAnal Chem. 2012, 84, 8957-8960.

Marty, M.T.; Sloan, C.D.K.; Bailey, R.C.; Sligar, S.G. “Nonlinear Analyte Concentration Gradients for One-Step Kinetic Analysis Employing Optical Microring ResonatorsAnal. Chem. 2012, 84, 5556-5564.

Marty, M.T.; Das, A.; Sligar, S.G. “Ultra-thin Layer MALDI Mass Spectrometry of Membrane Proteins in NanodiscsAnal. Bioanal. Chem. 2012, 402, 721-729.