Publication of research in the scientific literature is key to build awareness of the capabilities of a native MS-guided integrated structural biology approach. We aim to publish advances in our technology research and development projects, as well as research with our collaborators in Driving Biomedical Projects (DBPs) and Collaboration and Service (C&S) projects.

Research supported by NIH P41 Resource

Harvey, S. R.; VanAernum, Z. L.; Wysocki, V. H. Surface-Induced Dissociation of Anionic vs Cationic Native-Like Protein Complexes.
J. Am. Chem. Soc. 2021.
Seffernick, J. T.; Canfield, S. M.; Harvey, S. R.; Wysocki, V. H.; Lindert, S. Prediction of Protein Complex Structure Using Surface-Induced Dissociation and Cryo-Electron Microscopy.
Anal. Chem. 2021.
Landeras-Bueno, S.; Wasserman, H.; Oliveira, G.; VanAernum, Z. L.; Busch, F.; Salie, Z. L.; Wysocki, V. H.; Andersen, K.; Saphire, E. O. Cellular MRNA Triggers Structural Transformation of Ebola Virus Matrix Protein VP40 to Its Essential Regulatory Form.
Cell Rep 2021, 35 (2), 108986.
Busch, F.; VanAernum, Z.; Lai, S. M.; Gopalan, V.; Wysocki, V. Screening Tagged Proteins Using Tandem Affinity-Buffer Exchange Chromatography Online with Native Mass Spectrometry
preprint; 2021.
Sen, S.; Thompson, Z.; Wachnowsky, C.; Cleary, S.; Harvey, S. R.; Cowan, J. A. Biochemical Impact of a Disease-Causing Ile67Asn Substitution on BOLA3 Protein.
Metallomics 2021, 13 (mfab010).
Panczyk, E.M.; Snyder, D.T.; Ridgeway, M.E.; Somogyi, A.; Park, M.A.; Wysocki, V.H.; Surface-induced dissociation of protein complexes selected by trapped ion mobility spectrometry.
Anal. Chem. 2021, acs.analchem.0c05373.
Snyder, D. T.; Lin, Y.-F.; Somogyi, A.; Wysocki, V. H. Tandem Surface-Induced Dissociation of Protein Complexes on an Ultrahigh Resolution Platform.
International Journal of Mass Spectrometry 2021, 461, 116503.
Vorobieva, A. A.; White, P.; Liang, B.; Horne, J. E.; Bera, A. K.; Chow, C. M.; Gerben, S.; Marx, S.; Kang, A.; Stiving, A. Q.; Harvey, S. R.; Marx, D. C.; Khan, G. N.; Fleming, K. G.; Wysocki, V. H.; Brockwell, D. J.; Tamm, L. K.; Radford, S. E.; Baker, D. De Novo Design of Transmembrane β-Barrels
Science, 2021, 371 (6531), eabc8182, DOI: 10.1126/science.abc8182
Sahtoe, D. D.; Coscia, A.; Mustafaoglu, N.; Miller, L. M.; Olal, D.; Vulovic, I.; Yu, T.-Y.; Goreshnik, I.; Lin, Y.-R.; Clark, L.; Busch, F.; Stewart, L.; Wysocki, V. H.; Ingber, D. E.; Abraham, J.; Baker, D. Transferrin Receptor Targeting by de Novo Sheet Extension.
Proc Natl Acad Sci U S A 2021, 118 (17).
Caldwell, B. J.; Norris, A.; Zakharova, E.; Smith, C. E.; Wheat, C. T.; Choudhary, D.; Sotomayor, M.; Wysocki, V. H.; Bell, C. E. Oligomeric Complexes Formed by Redβ Single Strand Annealing Protein in Its Different DNA Bound States.
Nucleic Acids Research 2021, 49 (6), 3441–3460.
McCabe, J. W.; Shirzadeh, M.; Walker, T. E.; Lin, C.-W.; Jones, B. J.; Wysocki, V. H.; Barondeau, D. P.; Clemmer, D. E.; Laganowsky, A.; Russell, D. H. Variable-Temperature Electrospray Ionization for Temperature-Dependent Folding/Refolding Reactions of Proteins and Ligand Binding.
Anal. Chem. 2021.
Moghadamchargari, Z.; Shirzadeh, M.; Liu, C.; Schrecke, S.; Packianathan, C.; Russell, D. H.; Zhao, M.; Laganowsky, A. Molecular Assemblies of the Catalytic Domain of SOS with KRas and Oncogenic Mutants.
Proc Natl Acad Sci USA 2021, 118 (12), e2022403118.
Mallis, C. S.; Zheng, X.; Qiu, X.; McCabe, J. W.; Shirzadeh, M.; Lyu, J.; Laganowsky, A.; Russell, D. H. Development of Native MS Capabilities on an Extended Mass Range Q-TOF MS.
International Journal of Mass Spectrometry 2020, 458, 116451.
McCabe, J. W.; Hebert, M. J.; Shirzadeh, M.; Mallis, C. S.; Denton, J. K.; Walker, T. E.; Russell, D. H. The Ims Paradox: A Perspective on Structural Ion Mobility-Mass Spectrometry.
Mass Spectrometry Reviews 01 July 2020.
McCabe, J. W.; Mallis, C. S.; Kocurek, K. I.; Poltash, M. L.; Shirzadeh, M.; Hebert, M. J.; Fan, L.; Walker, T. E.; Zheng, X.; Jiang, T.; Dong, S.; Lin, C.-W.; Laganowsky, A.; Russell, D. H. First-Principles Collision Cross Section Measurements of Large Proteins and Protein Complexes.
Anal. Chem. 2020, 92 (16), 11155–11163.
Patra, S.; Lin, C.-W.; Ghosh, M. K.; Havens, S. M.; Cory, S. A.; Russell, D. H.; Barondeau, D. P. Recapitulating the Frataxin Activation Mechanism in an Engineered Bacterial Cysteine Desulfurase Supports the Architectural Switch Model.
bioRxiv 2020, 2020.10.06.326603.
Raab, S. A.; El-Baba, T. J.; Woodall, D. W.; Liu, W.; Liu, Y.; Baird, Z.; Hales, D. A.; Laganowsky, A.; Russell, D. H.; Clemmer, D. E. Evidence for Many Unique Solution Structures for Chymotrypsin Inhibitor 2: A Thermodynamic Perspective Derived from vT-ESI-IMS-MS Measurements.
J. Am. Chem. Soc. 2020, 142 (41), 17372–17383.
Vulovic, I.; Yao, Q.; Park, Y.-J.; Courbet, A.; Norris, A.; Busch, F.; Sahasrabuddhe, A.; Merten, H.; Sahtoe, D. D.; Ueda, G.; Fallas, J. A.; Weaver, S. J.; Hsia, Y.; Langan, R. A.; Plückthun, A.; Wysocki, V. H.; Veesler, D.; Jensen, G. J.; Baker, D. Generation of Ordered Protein Assemblies Using Rigid Three-Body Fusion.
bioRxiv 2020.
Kang, M.; Doddapaneni, K.; Sarni, S.; Heppner, Z.; Wysocki, V.; Wu, Z. Solution Structure of the Nucleotide Hydrolase BlsM: Implication of Its Substrate Specificity.
Protein Science 2020, 29 (8), 1760–1773.
Kristoff, C. J.; Bwanali, L.; Veltri, L. M.; Gautam, G. P.; Rutto, P. K.; Newton, E. O.; Holland, L. A. Challenging Bioanalyses with Capillary Electrophoresis.
Anal. Chem. 2020, 92 (1), 49–66.
Novikova I. V.; Zhou M.; Du C.; Parra M., Kim D. N.; VanAernum Z. L.; Shaw J. B.; Hellmann H.; Wysocki V. H.; Evans J. E.; Tunable hetero-assembly of a plant pseudoenzyme-enzyme complex.
bioRxiv 2020, 717082.
Sarni, S.; Biswas, B.; Liu, S.; Olson, E. D.; Kitzrow, J. P.; Rein, A.; Wysocki, V. H.; Musier-Forsyth, K. HIV-1 Gag Protein with or without P6 Specifically Dimerizes on the Viral RNA Packaging Signal.
J Biol Chem 2020, 295 (42), 14391–14401.
Snyder, D. T.; Harvey, S. R.; Busch, F.; Wysocki, V. H. Chapter 11:Surface-Induced Dissociation in Biomolecular Mass Spectrometry. In Advanced Fragmentation Methods.
Biomolecular Mass Spectrometry; 2020; pp 281–336.
Harvey, S. R.; VanAernum, Z. L.; Kostelic, M. M.; Marty, M. T.; Wysocki, V. H. Probing the Structure of Nanodiscs Using Surface-Induced Dissociation Mass Spectrometry
Chem. Commun. 2020.
Schrecke, S.; Zhu, Y.; McCabe, J. W.; Bartz, M.; Packianathan, C.; Zhao, M.; Zhou, M.; Russell, D.; Laganowsky, A. Selective Regulation of Human TRAAK Channels by Biologically Active Phospholipids
Nat Chem Biol 2020, 1–7.
Dong, S.; Shirzadeh, M.; Fan, L.; Laganowsky, A.; Russell, D. H. Ag+ Ion Binding to Human Metallothionein-2A Is Cooperative and Domain Specific.
Anal. Chem. 2020, 92 (13), 8923–8932.
Woodall, D. W.; Brown, C. J.; Raab, S. A.; El-Baba, T. J.; Laganowsky, A.; Russell, D. H.; Clemmer, D. E. Melting of Hemoglobin in Native Solutions as Measured by IMS-MS.
Anal. Chem. 2020, 92 (4), 3440–3446.
Leelananda, S. P.; Lindert, S. Using NMR Chemical Shifts and Cryo-EM Density Restraints in Iterative Rosetta-MD Protein Structure Refinement.
J. Chem. Inf. Model. 2020, 60 (5), 2522–2532.
Agana, B. A.; Wysocki, V. H.; Schoenberg, D. R. Cytoplasmic MRNA Recapping Has Limited Impact on Proteome Complexity.
Open Biol. 2020, 10 (11), 200313.
Stiving, A.Q; Harvey, S.R.; Jones, B.J.; Bellina, B.; Brown, J.M.; Barran, P.E.; Wysocki, V.H. Coupling 193 nm ultraviolet photodissociation and ion mobility for sequence characterization of conformationally-selected peptides.
J. Am. Soc. Mass Spectrom. 2020, 31 (11), 2313–2320.
Holmquist, M.; Ihms, E. C., Gollnick, P.; Wysocki, V. H.; and Foster, M. P.; Population distributions from native mass spectrometry titrations reveal nearest-neighbor cooperativity in the ring-shaped oligomeric protein TRAP.
Biochemistry. 2020, DOI: 10.1021/acs.biochem.0c00352
Lyu, J.; Liu, Y.; McCabe, J.W.; Schrecke, S.; Fang, L.; Russell, D.H.; Laganowsky, A. Discovery of Potent Charge-Reducing Molecules for Native Ion Mobility Mass Spectrometry Studies.
Anal. Chem. 2020, 92, 16, 11242-11.
Snyder, D.T.; Panczyk, E.M.; Somogyi, A.; Kaplan, D.; Wysocki, V.H. Simple and Minimally Invasive SID Devices for Native Mass Spectrometry.
Anal. Chem. 2020, 92 (16), 11195–11203.
Chen, Z.; Kibler, R.D.; Hunt, A.; Busch, F.; Pearl, J.; Jia, M.; VanAernum, Z.L.; Wicky, B.I.M.; Dods, G.; Liao, H.; Wilken, M.S.; Ciarlo, C.; Green, S.; ElpSamad, H.; Stamatoyannopoulos, J.; Wysocki, V.H.; Jewett, M.C.; Boyken, S.E.; Baker, D., De Novo Design of Protein Logic Gates.
Science, 03 April 2020, 368, 6486, 78-84. DOI: 10.1126/science.aay2790
Stiving, A. Q.; Gilbert, J. D.; Jones, B. J.; Wysocki, V. H.; A Tilted Surface and Ion Carpet Array for SID.
Anal. Chem. 2020, 31, 458-462. DOI: 10.1021/jasms.9b00009
Vimer, S.; Ben-Nissan, G.; Morgenstern, D.; Kumar-Deshmukh, K.; Polkinghorn, C.; Quintyn R.S.; Vsil’ev, Y.V.; Beckman, J.S.; Elad, N.; Wysocki, V.H.; Sharon, M.; Comparative Structural Analysis of 20S Proteasome Ortholog Protein Complexes by Native Mass Spectrometry.
ACS Cent. Sci. 2020, 6, 573-588. DOI:10.1021/acscentsci.0c00080
Zheng, X.; Kurulugama, R. T.; Laganowsky, A.; Russell, D.H.; Collision-Induced Unfolding Studies of Proteins and Protein Complexes using Drift Tube Ion Mobility-Mass Spectrometer.
Anal. Chem. 2020, 92, 10, 7218–7225. DOI: 10.1021/acs.analchem.0c00772
Simmonds, A. L.; Lopez-Clavijo, Andrea F.; Winn, P. J.; Russell, D. H.; Styles, I. B.; Cooper, H. J.; Structural Analysis of 14-3-3-ζ-Derived Phosphopeptides Using Electron Capture Dissociation Mass Spectrometry, Traveling Wave Ion Mobility Spectrometry, and Molecular Modeling.
J. Phys. Chem. B 2020, 124, 3, 461-469. DOI: 10.1021/acs.jpcb.9b08506 .
Stiving AQ, Jones BJ, Ujma J, Giles K, Wysocki VH. Collision Cross Sections of Charge Reduced Proteins and Protein Complexes: A Database for Collision Cross Section Calibration.
Anal. Chem. 2020 March 17;92(6):4475-4483. DOI: 10.1021/acs.analchem.9b05519.
Jia, M.; Sen, S.; Wachnowsky, C.; Fidai, I.; Cowan, J.A. and Wysocki, V.; Characterization of [2Fe‐2S]‐Cluster‐Bridged Protein Complexes and Reaction Intermediates by use of Robust Native Mass Spectrometric Methods.
Angewandte Chemie International Edition. 2020, DOI: 10.1002/anie.201915615
Lin, C.; McCabe, J. W.; Russell, D. H.; Barondeau, D. P.; Molecular mechanism of ISC iron-sulfur cluster biogenesis revealed by high-resolution native mass spectrometry.
J. Am. Chem. Soc. 2020, 142, 13, 6018-6029. DOI: 10.1021/jacs.9b11454
Shirzadeh, M.; Poltash, M.L.; Laganowsky, A.; Russell, D.H., Structural Analysis of the Effect of Dual-FLAG Tag on Transthyretin.
Biochemistry, 2020, 59, 9, 1013-1022. DOI: 10.1021/acs.biochem.0c00105.
Kristoff, C.J.; Li, C.; Li, P.; Holland, L.A. Low flow voltage free interface for capillary electophoresis and mass spectrometry driven by vibrating sharp-edge spray ionization.
Anal. Chem. 2020, 92, 4, 3006-3013. DOI: 10.1021/acs.analchem.9b03994
Panczyk, E.M.; Gilbert, J.D.; Jagdale, G.S.; Stiving, A.Q.; Baker, L.A. and Wysocki, V.H.;Ion Mobility and Surface Collisions: Submicrometer Capillaries Can Produce Native-like Protein Complexes.
Anal. Chem., 2020 Feb 4; 92(3):2460-2467 DOI:10.1021/acs.analchem.9b03666.
Norris, A.; Busch, F.; Schupfner, M.; Sterner, R.; Wysocki, V.H. Quaternary structure of the tryptophan synthase α-subunit homolog BX1 from Zea mays,
J. Am. Soc. Mass. Spectrom., 2020 Feb 5; 31(2):227-233. DOI: 10.1021/jasms9b00068
VanAernum, Z.; Busch, F.; Jones, B.J.; Jia, M.; Chen, Z.; Boyken, S.E.; Sahasrabuddhe, A.; Baker, D.; Wysocki, V. Rapid Online Buffer Exchange: A Method for Screening of Proteins, Protein Complexes, and Cell Lysates by Native Mass Spectrometry.
Nature Protocols 2020, DOI: 10.1038/s41596-019-0281-0
Poltash, M.L.; McCabe, J.W.; Shirzadeh, M.; Laganowsky,; Russell, D.H., Native IM-Orbitrap MS: Resolving what was hidden.
Trends in Analytical Chemistry, 2020, 124:115533. DOI:
Pyles H, Zhang S, De Yoreo JJ, Baker D. Controlling protein assembly on inorganic crystals through designed protein interfaces.
Nature. 2019;571(7764):251‐256. doi:10.1038/s41586-019-1361-6
Seffernick, J. T.; Harvey, S. R.; Wysocki, V. H.; Lindert, S. Predicting Protein Complex Structure from Surface-Induced Dissociation Mass Spectrometry Data.
ACS Cent. Sci. 2019, 5 (8), 1330–1341.
Liu, Y.; LoCaste, C.E.; Liu, W.; Poltash, M.L.; Russell, D.H.; Laganowsky, A., Selective binging of a toxin and phosphatidylinositides to a mammalian potassium channel.
Nat Commun 2019, 10 (1), 1352.
Kim, S. S.; Aprahamian, M. L.; Lindert, S. Improving Inverse Docking Target Identification with Z-Score Selection.
Chemical Biology & Drug Design 2019, 93 (6), 1105–1116.
Kulyk, D. S.; Swiner, D. J.; Sahraeian, T.; Badu-Tawiah, A. K. Direct Mass Spectrometry Analysis of Complex Mixtures by Nanoelectrospray with Simultaneous Atmospheric Pressure Chemical Ionization and Electrophoretic Separation Capabilities.
Anal. Chem. 2019, 91 (18), 11562–11568.
Purde, V.; Busch, F.; Kudryashova, E.; Wysocki, V.H.; Kudryashov, D.S., Oligomerization affects the ability of human cyclase associated proteins 1 and 2 to promote actin severing by cofilins.
Int. J. Molecular Sciences, 2019, 20, 5647
Kneuttinger, A.; Zwisele, S.; Straub, K.; Bruckmann, A.; Busch, F.; Kinateder, T.; Gaim, B.; Wysocki, V.; Merkl, R.; Sterner, R. Light-Regulation of Tryptophan Synthase by Combining Protein Design and Enzymology.
Int. J. Molecular Sciences. 2019, 20, 5106.
Kneuttinger, A.C.; Straub, K.; Bittner, P.; Simeth, N.A.; Bruckmann, A.; Busch, F.; Rajendran, C.; Hupfeld, E.; Wysocki, V.H.; Horinek,D.; König, B.; Merkl, R.; Sterner, R. Light regulation of enzyme allostery through photo-responsive unnatural amino acids.
Cell Chemical Biology 2019, 19, 30271-5.
Snyder, D. T.; Panczyk, E.; Stiving, A. Q.; Gilbert, J.; Somogyi, A.; Kaplan, D.; Wysocki, V. Design and performance of a second-generation surface-induced dissociation cell for Fourier transform ion cyclotron resonance mass spectrometry of native protein complexes.
Anal. Chem. 2019, 91, 14049-14057. DOI: 10.1021/acs.analchem.9b03746
Moghadamchargari Z, Huddleston J, Shirzadeh M, Zheng X, Clemmer DE, M Raushel F, Russell DH, Laganowsky A. Intrinsic GTPase Activity of K-RAS Monitored by Native Mass Spectrometry.
Biochemistry. 2019 Aug 6;58(31):3396-3405. doi:10.1021/acs.biochem.9b00532.
Seffernick, J.T.; Harvey, S.R.; Wysocki, V.H.; Lindert, S. Predicting protein complex structure from surface-induced dissociation mass spectrometry data.
ACS Cent Sci, 2019, 5 (8), 1330-1341.
Boyken, S.E.; Benhaim, M. A.; Busch, F.; Jia, M.; Bick, M. J.; Choi, H.; Klima, J. C.; Chen, Z.; Walkey, C.; Mileant, A.; Sahasrabuddhe, A.; Wei, K. Y.; Hodge, E. A.; Byron, S.; Quijano-Rubio, A.; Sankaran, B.; King, N. P.; Lippincott-Schwartz, J.; Wysocki, V. H.; Lee, K.K.; Baker D., De novo design of tunable, pH-driven conformational changes.
Science, 2019, 364(6441):658-664. DOI: 10.1126/science.aav7897.


Schupfner, M.; Busch F.; Wysocki, V.; Sterner, R., Generation of a stand-alone tryptophan synthase α-subunit by mimicking an evolutionary blueprint.
Chembiochem, 2019,20,2747-2751. DOI: 10.1002/cbic.201900323.
Woodall, D.W.; El-Baba, T.J.; Fuller, D.R.; Liu, W.; Brown, C.J.; Laganowsky, A.; Russell, D.H.; Clemmer, D.E., Variable-Temperature ESI-IMS-MS Analysis of Myohemerythrin Reveals Ligand Losses, Unfolding, and a Non-Native Disulfide Bond.
Anal. Chem., 2019, 91,10,6808-6814. DOI: 10.1021/acs.analchem.9b00981
Liu, Y.; LoCaste, C.E.; Liu, W.; Poltash, M.L.; Russell, D.H.; Laganowsky, A., Selective binding of a toxin and phosphatidylinositides to a mammalian potassium channel.
Nature Communications, 2019 Mar 22;10(1):1352. DOI 10.1038/s41467-019-09333-4.
VanAernum, Z.L.; Gilbert, J.D.; Belov, M.E.; Makarov, A.A; Horning, S.R.; Wysocki, V.H.; Surface-Induced Dissociation of Noncovalent Protein Complexes in an Extended Mass Range Orbitrap Mass Spectrometer.
Anal. Chem., 2019, 91, 3, 2345-2351. DOI: 10.1021/acs.analchem.8b05605.
Poltash, M.L.; Shirzadeh, M.; McCabe, J.W.; Moghadamchargari, Z.; Langanowsky, A.; Russell, D.H., New insights into a the metal-induced oxidative degradation pathways of transthyretin.
Chemical Communications, 2019, 55, 4091-4094. DOI 10.1039/C9CC00682F.
Harvey, S.R.; Seffernick, J.T.; Quintyn, R.S.; Song, Y.; Ju, Y; Yan, J.; Sahasrabuddhe, A.N.; Norris, A.; Zhou, M.; Behrman, E.J.; Lindert, S; Wysocki, V.H., Relative interfacial cleavage energetics of protein complexes revealed by surface collisions.
PNAS, 2019; 116 (17)8143-8148. DOI 10.1073/pnas.1817632116.
Poltash, M.L.; McCabe, J.W.; Shirzadeh, M.; Laganowsky, A.; Clowers, B.H.; Russell, D.H.,Fourier Transform-Ion Mobility-Orbitrap Mass Spectrometer: A Next-Generation Instrument for Native Mass Spectrometry..
Anal. Chem., 2018, 2018, 90,10472-10478. doi: 10.1021/acs.analchem.8b02463.
Stiving, A. Q.; VanAernum Z.; Busch, F.; Harvey S. R.; Sarni, S.; Wysocki, V. H., Surface-Induced Dissociation: An Effective Method for Characterization of Protein Quaternary Structure.
Anal Chem., 2019, 91, 190-209. DOI:10.1021/acs.analchem.8b05071.
Shirzadeh, M.; Boone, C.D.; Laganowsky, A.; Russell, D.H., Topological Analysis of Transthyretin Disassembly Mechanism: Surface-Induced Dissociation Reveals Hidden Reaction Pathways.
Analytical Chemistry, 2019, 91, 3, 2345-2351 DOI:10.1021/acs.analchem.8b05066
Chen, Z.; Boyken, S.; Jia, M; Busch, F; Flores-Solis, D.; Bick, M.J.; Lu, P; VanAernum, Z. L.; Sahasrabuddhe, A; Langan, R. A.; Bermeo S.; Brunette, T.J.; Mulligan, V. K.; Carter, L.P.; DiMaio, F.; Sgourakis, N.G.; Wysocki, V.H.; Baker,D.,Programmable design of orthogonal protein heterodimers.
Nature 2019, 565 (7737), 106–111.