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2020

Aberrant Expression of a Non-muscle RBFOX2 Isoform Triggers Cardiac Conduction Defects in Myotonic Dystrophy

Misra, C., Bangru, S., Lin, F., Lam, K., Koenig, S. N., Lubbers, E. R., Hedhli, J., Murphy, N. P., Parker, D. J., Dobrucki, L. W., Cooper, T. A., Tajkhorshid, E., Mohler, P. J. & Kalsotra, A., Mar 23 2020, In : Developmental cell. 52, 6, p. 748-763.e6

Research output: Contribution to journalArticle

An Activity-Based Sensing Approach for the Detection of Cyclooxygenase-2 in Live Cells

Yadav, A. K., Reinhardt, C. J., Arango, A. S., Huff, H. C., Dong, L., Malkowski, M. G., Das, A., Tajkhorshid, E. & Chan, J., Feb 17 2020, In : Angewandte Chemie - International Edition. 59, 8, p. 3307-3314 8 p.

Research output: Contribution to journalArticle

Identifying mutation hotspots reveals pathogenetic mechanisms of KCNQ2 epileptic encephalopathy

Zhang, J., Kim, E. C., Chen, C., Procko, E., Pant, S., Lam, K., Patel, J., Choi, R., Hong, M., Joshi, D., Bolton, E., Tajkhorshid, E. & Chung, H. J., Dec 1 2020, In : Scientific reports. 10, 1, 4756.

Research output: Contribution to journalArticle

Open Access

Menthol Binding to the Human α4β2 Nicotinic Acetylcholine Receptor Facilitated by Its Strong Partitioning in the Membrane

Shahoei, R. & Tajkhorshid, E., Mar 12 2020, In : Journal of Physical Chemistry B. 124, 10, p. 1866-1880 15 p.

Research output: Contribution to journalArticle

Microscopic Characterization of GRP1 PH Domain Interaction with Anionic Membranes

Pant, S. & Tajkhorshid, E., Mar 5 2020, In : Journal of Computational Chemistry. 41, 6, p. 489-499 11 p.

Research output: Contribution to journalArticle

Molecular Insights into the Loading and Dynamics of Doxorubicin on PEGylated Graphene Oxide Nanocarriers

Mahdavi, M., Fattahi, A., Tajkhorshid, E. & Nouranian, S., Jan 1 2020, (Accepted/In press) In : ACS Applied Bio Materials.

Research output: Contribution to journalArticle

Polymer-Peptide Conjugates Convert Amyloid into Protein Nanobundles through Fragmentation and Lateral Association

Smith, J. W., Jiang, X., An, H., Barclay, A. M., Licari, G., Tajkhorshid, E., Moore, E. G., Rienstra, C. M., Moore, J. S. & Chen, Q., Feb 28 2020, In : ACS Applied Nano Materials. 3, 2, p. 937-945 9 p.

Research output: Contribution to journalArticle

Probing cholesterol binding and translocation in P-glycoprotein

Thangapandian, S., Kapoor, K. & Tajkhorshid, E., Jan 1 2020, In : Biochimica et Biophysica Acta - Biomembranes. 1862, 1, 183090.

Research output: Contribution to journalArticle

2019

A Chalcogen-Bonding Cascade Switch for Planarizable Push–Pull Probes

Macchione, M., Goujon, A., Strakova, K., Humeniuk, H. V., Licari, G., Tajkhorshid, E., Sakai, N. & Matile, S., Oct 28 2019, In : Angewandte Chemie - International Edition. 58, 44, p. 15752-15756 5 p.

Research output: Contribution to journalArticle

Allosteric Interactions in Human Cytochrome P450 CYP3A4: The Role of Phenylalanine 213

Denisov, I. G., Grinkova, Y. V., Nandigrami, P., Shekhar, M., Tajkhorshid, E. & Sligar, S. G., Mar 12 2019, In : Biochemistry. 58, 10, p. 1411-1422 12 p.

Research output: Contribution to journalArticle

A network of phosphatidylinositol 4,5-bisphosphate binding sites regulates gating of the Ca2+-activated Cl channel ANO1 (TMEM16A)

Yu, K., Jiang, T., Cui, Y. Y., Tajkhorshid, E. & Criss Hartzell, H., Jan 1 2019, In : Proceedings of the National Academy of Sciences of the United States of America. 116, 40, p. 19952-19962 11 p.

Research output: Contribution to journalArticle

Open Access

Atoms to Phenotypes: Molecular Design Principles of Cellular Energy Metabolism

Singharoy, A., Maffeo, C., Delgado-Magnero, K. H., Swainsbury, D. J. K., Sener, M., Kleinekathöfer, U., Vant, J. W., Nguyen, J., Hitchcock, A., Isralewitz, B., Teo, I., Chandler, D. E., Stone, J. E., Phillips, J. C., Pogorelov, T. V., Mallus, M. I., Chipot, C., Luthey-Schulten, Z., Tieleman, D. P., Hunter, C. N. & 3 others, Tajkhorshid, E., Aksimentiev, A. & Schulten, K., Nov 14 2019, In : Cell. 179, 5, p. 1098-1111.e23

Research output: Contribution to journalArticle

Binding partner- and force-promoted changes in αE-catenin conformation probed by native cysteine labeling

Terekhova, K., Pokutta, S., Kee, Y. S., Li, J., Tajkhorshid, E., Fuller, G., Dunn, A. R. & Weis, W. I., Dec 1 2019, In : Scientific reports. 9, 1, 15375.

Research output: Contribution to journalArticle

Open Access

Federating Structural Models and Data: Outcomes from A Workshop on Archiving Integrative Structures

Berman, H. M., Adams, P. D., Bonvin, A. A., Burley, S. K., Carragher, B., Chiu, W., DiMaio, F., Ferrin, T. E., Gabanyi, M. J., Goddard, T. D., Griffin, P. R., Haas, J., Hanke, C. A., Hoch, J. C., Hummer, G., Kurisu, G., Lawson, C. L., Leitner, A., Markley, J. L., Meiler, J. & 18 others, Montelione, G. T., Phillips, G. N., Prisner, T., Rappsilber, J., Schriemer, D. C., Schwede, T., Seidel, C. A. M., Strutzenberg, T. S., Svergun, D. I., Tajkhorshid, E., Trewhella, J., Vallat, B., Velankar, S., Vuister, G. W., Webb, B., Westbrook, J. D., White, K. L. & Sali, A., Dec 3 2019, In : Structure. 27, 12, p. 1745-1759 15 p.

Research output: Contribution to journalArticle

Open Access

Integrating hydrogen–deuterium exchange mass spectrometry with molecular dynamics simulations to probe lipid-modulated conformational changes in membrane proteins

Martens, C., Shekhar, M., Lau, A. M., Tajkhorshid, E. & Politis, A., Nov 1 2019, In : Nature Protocols. 14, 11, p. 3183-3204 22 p.

Research output: Contribution to journalArticle

Open Access

Locking Two Rigid-body Bundles in an Outward-Facing Conformation: The Ion-coupling Mechanism in a LeuT-fold Transporter

Li, J., Zhao, Z. & Tajkhorshid, E., Dec 1 2019, In : Scientific reports. 9, 1, 19479.

Research output: Contribution to journalArticle

Open Access

Multivalent Polymer-Peptide Conjugates: A General Platform for Inhibiting Amyloid Beta Peptide Aggregation

Jiang, X., Halmes, A. J., Licari, G., Smith, J. W., Song, Y., Moore, E. G., Chen, Q., Tajkhorshid, E., Rienstra, C. M. & Moore, J. S., Oct 15 2019, In : ACS Macro Letters. 8, 10, p. 1365-1371 7 p.

Research output: Contribution to journalArticle

Phosphatidic acid induces conformational changes in Sec18 protomers that prevent SNARE priming

Starr, M. L., Sparks, R. P., Arango, A. S., Hurst, L. R., Zhao, Z., Lihan, M., Jenkins, J. L., Tajkhorshid, E. & Fratti, R. A., Mar 1 2019, In : Journal of Biological Chemistry. 294, 9, p. 3100-3116 17 p.

Research output: Contribution to journalArticle

Pro-Nifuroxazide Self-Assembly Leads to Triggerable Nanomedicine for Anti-cancer Therapy

Misra, S. K., Wu, Z., Ostadhossein, F., Ye, M., Boateng, K., Schulten, K., Tajkhorshid, E. & Pan, D., May 22 2019, In : ACS Applied Materials and Interfaces. 11, 20, p. 18074-18089 16 p.

Research output: Contribution to journalArticle

Serotonin transporter–ibogaine complexes illuminate mechanisms of inhibition and transport

Coleman, J. A., Yang, D., Zhao, Z., Wen, P. C., Yoshioka, C., Tajkhorshid, E. & Gouaux, E., May 2 2019, In : Nature. 569, 7754, p. 141-145 5 p.

Research output: Contribution to journalArticle

Structural Insights into the Lipid A Transport Pathway in MsbA

Padayatti, P. S., Lee, S. C., Stanfield, R. L., Wen, P. C., Tajkhorshid, E., Wilson, I. A. & Zhang, Q., Jul 2 2019, In : Structure. 27, 7, p. 1114-1123.e3

Research output: Contribution to journalArticle

Tuning symmetry breaking charge separation in perylene bichromophores by conformational control

Aster, A., Licari, G., Zinna, F., Brun, E., Kumpulainen, T., Tajkhorshid, E., Lacour, J. & Vauthey, E., Jan 1 2019, In : Chemical Science. 10, 45, p. 10629-10639 11 p.

Research output: Contribution to journalArticle

Open Access
2018

A "cross-stitched" peptide with improved helicity and proteolytic stability

Speltz, T. E., Mayne, C. G., Fanning, S. W., Siddiqui, Z., Tajkhorshid, E., Greene, G. L. & Moore, T. W., Jan 1 2018, In : Organic and Biomolecular Chemistry. 16, 20, p. 3702-3706 5 p.

Research output: Contribution to journalArticle

Calcium-Induced Lipid Nanocluster Structures: Sculpturing of the Plasma Membrane

Hallock, M. J., Greenwood, A. I., Wang, Y., Morrissey, J. H., Tajkhorshid, E., Rienstra, C. M. & Pogorelov, T. V., Dec 18 2018, In : Biochemistry. 57, 50, p. 6897-6905 9 p.

Research output: Contribution to journalArticle

Constructing atomic structural models into cryo-EM densities using molecular dynamics – Pros and cons

Wang, Y., Shekhar, M., Thifault, D., Williams, C. J., McGreevy, R., Richardson, J., Singharoy, A. & Tajkhorshid, E., Nov 2018, In : Journal of Structural Biology. 204, 2, p. 319-328 10 p.

Research output: Contribution to journalArticle

Cytochrome aa 3 Oxygen Reductase Utilizes the Tunnel Observed in the Crystal Structures to Deliver O2 for Catalysis

Mahinthichaichan, P., Gennis, R. B. & Tajkhorshid, E., Apr 10 2018, In : Biochemistry. 57, 14, p. 2150-2161 12 p.

Research output: Contribution to journalArticle

Direct protein-lipid interactions shape the conformational landscape of secondary transporters

Martens, C., Shekhar, M., Borysik, A. J., Lau, A. M., Reading, E., Tajkhorshid, E., Booth, P. J. & Politis, A., Dec 1 2018, In : Nature communications. 9, 1, 4151.

Research output: Contribution to journalArticle

Drug-Drug Interactions between Atorvastatin and Dronedarone Mediated by Monomeric CYP3A4

Denisov, I. G., Baylon, J. L., Grinkova, Y. V., Tajkhorshid, E. & Sligar, S. G., Feb 6 2018, In : Biochemistry. 57, 5, p. 805-816 12 p.

Research output: Contribution to journalArticle

Electrostatic lock in the transport cycle of the multidrug resistance transporter EmrE

Vermaas, J. V., Rempe, S. B. & Tajkhorshid, E., Aug 7 2018, In : Proceedings of the National Academy of Sciences of the United States of America. 115, 32, p. E7502-E7511

Research output: Contribution to journalArticle

Endocannabinoid Virodhamine Is an Endogenous Inhibitor of Human Cardiovascular CYP2J2 Epoxygenase

Carnevale, L. N., Arango, A. S., Arnold, W. R., Tajkhorshid, E. & Das, A., Nov 20 2018, In : Biochemistry. 57, 46, p. 6489-6499 11 p.

Research output: Contribution to journalArticle

Main-chain mutagenesis reveals intrahelical coupling in an ion channel voltage-sensor

Infield, D. T., Matulef, K., Galpin, J. D., Lam, K., Tajkhorshid, E., Ahern, C. A. & Valiyaveetil, F. I., Dec 1 2018, In : Nature communications. 9, 1, 5055.

Research output: Contribution to journalArticle

Menthol stereoisomers exhibit different effects on α4β2 nAChR upregulation and dopamine neuron spontaneous firing

Henderson, B. J., Grant, S., Wong, B. K., Shahoei, R., Huard, S. M., Saladi, S. S. M., Tajkhorshid, E., Dougherty, D. A. & Lester, H. A., Nov 1 2018, In : eNeuro. 5, 6, e0465-18.2018.

Research output: Contribution to journalArticle

Probing key elements of teixobactin-lipid II interactions in membranes

Wen, P. C., Vanegas, J. M., Rempe, S. B. & Tajkhorshid, E., Jan 1 2018, In : Chemical Science. 9, 34, p. 6997-7008 12 p.

Research output: Contribution to journalArticle

PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations

Scheurer, M., Rodenkirch, P., Siggel, M., Bernardi, R. C., Schulten, K., Tajkhorshid, E. & Rudack, T., Feb 6 2018, In : Biophysical journal. 114, 3, p. 577-583 7 p.

Research output: Contribution to journalArticle

Salt bridges gate ?-catenin activation at intercellular junctions

Barrick, S., Li, J., Kong, X., Ray, A., Tajkhorshid, E. & Leckband, D., Jan 15 2018, In : Molecular biology of the cell. 29, 2, p. 111-122 12 p.

Research output: Contribution to journalArticle

Selective Permeability of Carboxysome Shell Pores to Anionic Molecules

Mahinthichaichan, P., Morris, D. M., Wang, Y., Jensen, G. J. & Tajkhorshid, E., Oct 4 2018, In : Journal of Physical Chemistry B. 122, 39, p. 9110-9118 9 p.

Research output: Contribution to journalArticle

Solid-State NMR of highly 13C-enriched cholesterol in lipid bilayers

Della Ripa, L. A., Petros, Z. A., Cioffi, A. G., Piehl, D. W., Courtney, J. M., Burke, M. D. & Rienstra, C. M., Apr 1 2018, In : Methods. 138-139, p. 47-53 7 p.

Research output: Contribution to journalArticle

Structure of the alternative complex III in a supercomplex with cytochrome oxidase

Sun, C., Benlekbir, S., Venkatakrishnan, P., Wang, Y., Hong, S., Hosler, J., Tajkhorshid, E., Rubinstein, J. L. & Gennis, R. B., May 3 2018, In : Nature. 557, 7703, p. 123-126 4 p.

Research output: Contribution to journalArticle

The SERM/SERD bazedoxifene disrupts ESR1 helix 12 to overcome acquired hormone resistance in breast cancer cells

Fanning, S. W., Jeselsohn, R., Dharmarajan, V., Mayne, C. G., Karimi, M., Buchwalter, G., Houtman, R., Toy, W., Fowler, C. E., Han, R., Lainé, M., Carlson, K. E., Martin, T. A., Nowak, J., Nwachukwu, J. C., Hosfield, D. J., Chandarlapaty, S., Tajkhorshid, E., Nettles, K. W., Griffin, P. R. & 4 others, Shen, Y., Katzenellenbogen, J. A., Brown, M. & Greene, G. L., Nov 1 2018, In : eLife. 7, e37161.

Research output: Contribution to journalArticle

2017

Activation and Desensitization Mechanism of AMPA Receptor-TARP Complex by Cryo-EM

Chen, S., Zhao, Y., Wang, Y., Shekhar, M., Tajkhorshid, E. & Gouaux, E., Sep 7 2017, In : Cell. 170, 6, p. 1234-1246.e14

Research output: Contribution to journalArticle

Alteration of blood clotting and lung damage by protamine are avoided using the heparin and polyphosphate inhibitor UHRA

Kalathottukaren, M. T., Abraham, L., Kapopara, P. R., Lai, B. F. L., Shenoi, R. A., Rosell, F. I., Conway, E. M., Pryzdial, E. L. G., Morrissey, J. H., Haynes, C. A. & Kizhakkedathu, J. N., Mar 9 2017, In : Blood. 129, 10, p. 1368-1379 12 p.

Research output: Contribution to journalArticle

A membrane-embedded pathway delivers general anesthetics to two interacting binding sites in the Gloeobacter violaceus ion channel

Arcario, M. J., Mayne, C. G. & Tajkhorshid, E., Jun 9 2017, In : Journal of Biological Chemistry. 292, 23, p. 9480-9492 13 p.

Research output: Contribution to journalArticle

Arachidonic Acid Metabolism by Human Cardiovascular CYP2J2 Is Modulated by Doxorubicin

Arnold, W. R., Baylon, J. L., Tajkhorshid, E. & Das, A., Dec 26 2017, In : Biochemistry. 56, 51, p. 6700-6712 13 p.

Research output: Contribution to journalArticle

Chasing the open-state structure of pentameric ligand-gated ion channels

Gonzalez-Gutierrez, G., Wang, Y., Cymes, G. D., Tajkhorshid, E. & Grosman, C., Dec 1 2017, In : Journal of General Physiology. 149, 12, p. 1119-1138 20 p.

Research output: Contribution to journalArticle

Coupling X-Ray Reflectivity and in Silico Binding to Yield Dynamics of Membrane Recognition by Tim1

Tietjen, G. T., Baylon, J. L., Kerr, D., Gong, Z., Henderson, J. M., Heffern, C. T. R., Meron, M., Lin, B., Schlossman, M. L., Adams, E. J., Tajkhorshid, E. & Lee, K. Y. C., Oct 3 2017, In : Biophysical journal. 113, 7, p. 1505-1519 15 p.

Research output: Contribution to journalArticle

Critical Role of Water Molecules in Proton Translocation by the Membrane-Bound Transhydrogenase

Padayatti, P. S., Leung, J. H., Mahinthichaichan, P., Tajkhorshid, E., Ishchenko, A., Cherezov, V., Soltis, S. M., Jackson, J. B., Stout, C. D., Gennis, R. B. & Zhang, Q., Jul 5 2017, In : Structure. 25, 7, p. 1111-1119.e3

Research output: Contribution to journalArticle

Differential membrane binding mechanics of synaptotagmin isoforms observed in atomic detail

Vermaas, J. V. & Tajkhorshid, E., Jan 1 2017, In : Biochemistry. 56, 1, p. 281-293 13 p.

Research output: Contribution to journalArticle

Differential Roles for the Coagulation Factors XI and XII in Regulating the Physical Biology of Fibrin

Sylman, J. L., Daalkhaijav, U., Zhang, Y., Gray, E. M., Farhang, P. A., Chu, T. T., Zilberman-Rudenko, J., Puy, C., Tucker, E. I., Smith, S. A., Morrissey, J. H., Walker, T. W., Nan, X. L., Gruber, A. & McCarty, O. J. T., May 1 2017, In : Annals of Biomedical Engineering. 45, 5, p. 1328-1340 13 p.

Research output: Contribution to journalArticle