Q. Yu, S. Dehghani-Ghahnaviyeh, A. Rasouli, A. Sadurni, J. Kowal, R. Bang-Soerensen, P.-C. Wen, M. Tinzl-Zechner, R. N. Irobalieva, D. Ni, H. Stahlberg, K.-H. Altmann, E. Tajkhorshid, and K. P. Locher (2024)
Modulation of ABCG2 Transporter Activity by Ko143 Derivatives.
ACS Chemical Biology, 19: 2304-2313.
K. A. Muñoz, R. J. Ulrich, A. K. Vasan, M. Sinclair, P.-C. Wen, J. R. Holmes, H.-Y. Lee, C.-C. Hung, C. J. Fields, E. Tajkhorshid, G. W. Lau and P. J. Hergenrother (2024)
A Gram-negative-selective antibiotic that spares the gut microbiome.
Nature, 630: 429-436.
T. Gose, A. Rasouli, S. Dehghani-Ghahnaviyeh, P.-C. Wen, Y. Wang, J. Lynch, Y. Fukuda, T. Shafi, R. C. Ford, E. Tajkhorshid, and J. D. Schuetz (2024)
Tumor-acquired somatic mutation affects conformation to abolish ABCG2-mediated drug resistance.
Drug Resistance Updates, 73: 101066.
A. Rasouli, Q. Yu, S. Dehghani-Ghahnaviyeh, P.-C. Wen, J. Kowal, K. P. Locher, and E. Tajkhorshid (2023)
Differential dynamics and direct interaction of bound ligands with lipids in multidrug transporter ABCG2.
Proceedings of the National Academy of Sciences USA, 120: e2213437120.
A. K. Vasan, N. Haloi, R. J. Ulrich, M. E. Metcalf, P.-C. Wen, W. W. Metcalf, P. J. Hergenrother, D. Shukla, and E. Tajkhorshid (2022)
Role of Internal Loop Dynamics in Antibiotic Permeability of Outer Membrane Porins.
Proceedings of the National Academy of Sciences USA, 119: e2117009119.
N. Haloi, A. K. Vasan, E. Geddes, A. Prasanna, P.-C. Wen, W. W. Metcalf, P. Hergenrother, and E. Tajkhorshid (2021)
Rationalizing Generation of Broad Spectrum Antibiotics with the Addition of a Positive Charge.
Chemical Science, 12: 15028-15044.
N. Haloi, P.-C. Wen, Q. Cheng, M. Yang, G. Natarajan, A. K. S. Camara, W. M. Kwok, and E. Tajkhorshid (2021)
Structural Basis of Complex Formation Between Mitochondrial Anion Channel VDAC1 and Hexokinase-II.
Communications Biology, 4: 667.
C. Thomas, S. G. Aller, K. Beis, E. P. Carpenter, G. Chang, L. Chen, E. Dassa, M. Dean, F. Duong Van Hoa, D. Ekiert, R. Ford, R. Gaudet, X. Gong, I. B. Holland, Y. Huang, D. K. Kahne, H. Kato, V. Koronakis, C. M. Koth, Y. Lee, O. Lewinson, R. Lill, E. Martinoia, S. Murakami, H. W. Pinket, B. Poolman, D. Rosenbaum, B. Sarkadi, L. Schmitt, E. Schneider, Y. Shi, S.-L. Shyng, D. J. Slotboom, E. Tajkhorshid, D. P. Tieleman, K. Ueda, A. Váradi, P.-C. Wen, N. Yan, P. Zhang, H. Zheng, J. Zimmer, and R. Tampé (2020)
Structural and Functional Diversity Calls for a New Classification of ABC Transporters.
FEBS Letters, 594: 3767-75.
T. Jiang, P.-C. Wen, N. Trebesch, Z. Zhao, S. Pant, K. Kapoor, M. Shekhar, and E. Tajkhorshid (2020)
Computational Dissection of Membrane Transport at a Microscopic Level.
Trends in Biochemical Sciences, 45: 202-216.
P. S. Padayatti, S. C. Lee, R. L. Stanfield, P.-C. Wen, E. Tajkhorshid, I. A. Wilson, Q. Zhang (2019)
Structural Insights into the Lipid A Transport Pathway in MsbA.
Structure, 27, 1114-1123.e3.
J. A. Coleman , D. Yang , Z. Zhao , P.-C. Wen , C. Yoshioka , E. Tajkhorshid, and E. Gouaux (2019)
Serotonin Transporter-Ibogaine Complexes Illuminate Mechanisms of Inhibition and Transport.
Nature, 569: 141-145.
P.-C. Wen, J. M. Vanegas, S. B. Rempe and E. Tajkhorshid (2018)
Probing Key Elements of Teixobactin-Lipid II Interactions in Membrane.
Chemical Science, 9: 6997-7008
P.-C. Wen, P. Mahinthichaichan, N. Trebesch, T. Jiang, Z. Zhao, E. Shinn, Y. Wang, M. Shekhar, K. Kapoor, C. K. Chan and E. Tajkhorshid (2018)
Microscopic View of Lipids and Their Diverse Biological Functions.
Current Opinion in Structural Biology, 51: 177-186.
A. K. S. Camara, Y. Zhou, P.-C. Wen, E. Tajkhorshid and W.-M. Kwok (2017)
Mitochondrial VDAC1: A Key Gatekeeper as Potential Therapeutic Target.
Frontiers in Physiology, 8: 640.
C. G. Mayne, M. J. Arcario, P. Mahinthichaichan, J. L. Baylon, J. V. Vermaas, L. Navidpour, P.-C. Wen, S. Thangapandian, and E. Tajkhorshid (2016)
The Cellular Membrane as a Mediator for Small Molecule Interaction with Membrane Proteins.
Biochimica et Biophysica Acta - Biomembranes, 1858: 2290-2304.
J. Vermaas, N. Trebesch, C. G. Mayne, S. Thungapandian, M. Shekhar, P. Mahinthichaichan, J. L. Baylon, T. Jiang, Y. Wang, M. P. Muller, E. Shinn, Z. Zhao, P.-C. Wen, and E. Tajkhorshid (2016)
Microscopic Characterization of Membrane Transport Function by In Silico Modeling and Simulation.
Methods in Enzymology, 578: 373-428.
J. Li, P.-C. Wen, M. Moradi, and E. Tajkhorshid (2015)
Computational Characterization of Structural Dynamics Underlying Function in Active Membrane Transporters
Current Opinion in Structural Biology, 31: 96-105.
G. Enkavi, J. Li, P.-C. Wen, S. Thangapandian, M. Moradi, T. Jiang, W. Han, and E. Tajkhorshid (2014)
A Microscopic View of the Mechanisms of Active Transport Across the Cellular Membrane.
Annual Reports in Computational Chemistry, 10: 77-125.
S. Mishra, B. Verhalen, R. A. Stein, P.-C. Wen, E. Tajkhorshid, and H. S. Mchaourab (2014)
Conformational Dynamics of the Nucleotide Binding Domains and the Power Stroke of a Heterodimeric ABC Transporter.
eLife, 3: e02740.
R. E. Hulse, J. Sachleben, P.-C. Wen, M. Moradi, E. Tajkhorshid, and E. Perozo (2014)
Conformational dynamics at the inner gate of KcsA during activation.
Biochemistry, 53: 2557-2559.
P.-C. Wen, B. Verhalen, S. Wilkens, H. Mchaourab, and E. Tajkhorshid (2013)
On the Origin of Large Flexibility of P-glycoprotein in the Inward-Facing State.
Journal of Biological Chemistry, 288: 19211-19220.
S. A. Shaikh, J. Li, G. Enkavi, P.-C. Wen, Z. Huang, and E. Tajkhorshid (2013)
Visualizing Functional Motions of Membrane Transporters with Molecular Dynamics Simulations.
Biochemistry, 52: 569-587.
G. Enkavi, J. Li, P. Mahinthichaichan, P.-C. Wen, Z. Huang, S. A. Shaikh, and E. Tajkhorshid (2013)
Simulation Studies of the Mechanism of Membrane Transporters.
Methods in Molecular Biology, 924: 361-405.
P.-C. Wen and E. Tajkhorshid (2011)
Conformational Coupling of the Nucleotide-Binding and the Transmembrane Domains in ABC Transporters.
Biophysical Journal, 101: 680-690.
J. Seong, M. Ouyang, T. Kim, J. Sun, P.-C. Wen, S. Lu, Y. Zhuo, N. M. Llewellyn, D. D. Schlaepfer, J.-L. Guan, S. Chien, and Y. Wang (2011)
Detection of Focal Adhesion Kinase Activation at Membrane Microdomains by Fluorescence Resonance Energy Transfer
Nature Communications, 2: 406.
Z. Huang, S. A. Shaikh, P.-C. Wen, G. Enkavi, J. Li, and E. Tajkhorshid (2011)
Membrane Transporters - Molecular Machines Coupling Cellular Energy to Vectorial Transport Across the Membrane.
In B. Roux (Ed.), "Molecular Machines",(pp. 151-182), Singapore: World Scientific Publishing.
F. Khalili-Araghi, J. C. Gumbart, P.-C. Wen, M. Sotomayor, E. Tajkhorshid, and K. Schulten (2009)
Molecular dynamics simulations of membrane channels and transporters.
Current Opinion in Structural Biology, 19: 128-137.
P.-C. Wen and E. Tajkhorshid (2008)
Dimer Opening of the Nucleotide Binding Domains of ABC Transporters after ATP hydrolysis.
Biophysical Journal, 95: 5100-5110.
