Molecular mechanism of substrate transport by human peroxisomal ABCD3.
bioRxiv. 2025
Gupta M*, Khandelwal NK, Seka DJ, Balasubramani SG, Dickinson MS, Myasnikov A, Echeverria I, Stroud RM*. *corresponding authors
Structure and inhibition mechanisms of Mycobacterium tuberculosis essential transporter efflux protein A.
Nature Communications. 2025
Khandelwal NK*, Gupta M*, Gomez JE, Barkho S, Guan Z, Eng AY, Kawate T, Balasubramani SG, Sali A, Hung DT, Stroud RM. PMID: 40169593. *equal first authors
Structural basis of aquaporin-4 autoantibody binding in neuromyelitis optica.
Science Advances. 2025
Gupta M*, Khandelwal NK, Nelson A, Hwang P, Pourmal S, Bennett JL*, Stroud RM*. PMID: 39982991.
*corresponding authors.
Structural basis of disease mutation and substrate recognition by the human SLC2A9 transporter.
Khandelwal NK, Gupta M, Kumar P, Balasubramani SG, Echeverria I, Stroud RM. PMID: 39937868.
Recognizing amino acid sidechains in a medium resolution cryo-electron density map.
bioRxiv. 2025
Mondal D, Kumar V, Satler T, Ramachandran R, Saltzberg D, Chemmama I, Pilla KB, Echeverria I, Webb BM, Gupta M, Verba K, Sali A.
Kinetic Network Modeling with Molecular Simulation Inputs: A Proton-Coupled Phosphate Symporter.
Biophysical Journal. 2024
Liu Y, Li C, Gupta M, Stroud RM, Voth GA. PMID: 38549372.
Editor's choice article
Recent advances in Infectious Disease Research Using Cryo-Electron Tomography.
Asarnow D, Becker VA, Bobe D, Dubbledam C, Johnston JD, Kopylov M, Lavoie NR, Li Q, Mattingly JM, Mendez JH, Paraan M, Turner J, Upadhye V, Walsh RM Jr, Gupta M*, Eng ET*. PMID: 38288336.
*corresponding authors.
Structural Basis of Prostaglandin Efflux by MRP4.
Pourmal S, Green E, Bajaj R, Chemmama I, Knudsen GM, Gupta M, Sali A, Cheng Y, Craik CS, Kroetz DL, Stroud RM. PMID: 38216659.
Smart Data Collection for CryoEM.
Bepler T, Borst A, Bouvette J, Cannone G, Chen S, Cheng A, Cheng Ao, Fan Q, Grollios F, Gupta H, Gupta M, Humphreys T, Kim PT, Kuang H, Li Y, Noble A, Punjani A, Rice WJ, Sorzano COS, Stagg S, Strauss J, Yu L, Carragher B, Potter CS. PMID: 36341954.
Molecular basis of multistep voltage activation in plant two-pore channel 1.
Dickinson MS, Lu J, Gupta M, Marten I, Hedrich R, Stroud RM. PMID: 35210362.
Viral E protein neutralizes BET protein-mediated post-entry antagonism of SARS-CoV-2.
Cell Reports. 2022
Chen IP, Longbotham JE, McMahon S, Suryawanshi RK, Khalid MM, Taha TY, Tabata T, Hayashi JM, Soveg FW, Carlson-Stevermer J, Gupta M, Zhang MY, Lam V, Li Y, Yu Z, Titus EW, Diallo A, Oki J, Holden K, Krogan N, Fujimori DG, Ott M. PMID: 35839775.
Fun30 and Rtt109 Mediate Epigenetic Regulation of the DNA Damage Response Pathway in C. albicans.
Journal of Fungi. 2022
Maurya PK, Garai P, Goel K, Bhatt H, Dutta A, Goyal A, Dewasthale S, Gupta M, Haokip DT, Barik S, Muthuswami R. PMID: 35736042.
Symmetry reduction in a hyperpolarization-activated homotetrameric ion channel.
Biochemistry. 2021
Dickinson MS*, Pourmal S*, Gupta M*, Bi M, Stroud RM. PMID: 34964607. *equal first authors.
CryoEM and AI reveal a structure of SARS-CoV-2 Nsp2, a multifunctional protein involved in key host processes.
bioRxiv. 2021
Gupta M, Azumaya CM, Moritz M, Pourmal S, Diallo A, Merz GE, et. al., PMID: 34013269.
Key computational findings reveal proton transfer as driving the functional cycle in the phosphate transporter PiPT.
Liu Y, Li C, Gupta M, Verma N, Johri AK, Stroud RM, Voth GA. PMID: 34135124.
Highlighting membrane protein structure and function: A celebration of the Protein Data Bank.
Li F, Egea PF, Vecchio AJ, Asial I, Gupta M, Paulino J, Bajaj R, Dickinson MS, Ferguson-Miller S, Monk BC, Stroud RM. PMID: 33744283.
Bi-paratopic and multivalent VH domains block ACE2 binding and neutralize SARS-CoV-2.
Nature Chemical Biology. 2021
Bracken CJ, Lim SA, Solomon P, Rettko NJ, Nguyen DP, Zha BS, Schaefer K, Byrnes JR, Zhou J, Lui I, Liu J, Pance K, QCRG Structural Biology Consortium, Zhou XX, Leung KK, Wells JA. PMID: 33082574.
Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Science Advances. 2021
Schuller M, Correy GJ, Gahbauer S, Fearon D, Wu T, Díaz RE, Young ID, Carvalho Martins L, Smith DH, Schulze-Gahmen U, Owens TW, Deshpande I, Merz GE, Thwin AC, Biel JT, Peters JK, Moritz M, Herrera N, Kratochvil HT; QCRG Structural Biology Consortium; et. al., PMID: 33853786.
Comparative host-coronavirus protein interaction networks reveal pan-viral disease mechanisms.
Science. 2020
Gordon DE*, Hiatt J*, Bouhaddou M*, Rezelj VV*, Ulferts S*, Braberg H*, Jureka AS*, Obernier K*, Guo JZ*, Batra J*, Kaake RM*, Weckstein AR*, Owens TW*, Gupta M*, Pourmal S*, Titus EW*, et. al., PMID: 33060197.
*equal first authors
Featured in NIH Director's Blog
An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike.
Science. 2020
Schoof M, Faust B, Saunders RA, Sangwan S, Rezelj V, Hoppe N, Boone M, Billesbølle CB, Puchades C, Azumaya CM, Kratochvil HT, Zimanyi M, Deshpande I, Liang J, Dickinson S, Nguyen HC, Chio CM, Merz GE, Thompson MC, Diwanji D, Schaefer K, Anand AA, Dobzinski N, Zha BS, Simoneau CR, Leon K, White KM, Chio US, Gupta M, et. al., PMID: 33154106.
Ceapins block the unfolded protein response sensor ATF6a by inducing a neomorphic inter-organelle tether.
eLife. 2019
Torres SE, Gallagher CM, Plate L, Gupta M, Liem CR, Guo X, Tian R, Stroud RM, Kampmann M, Weissman JS, Walter P. PMID: 31149896.
Vacuolar Sequestration of Azoles, a Novel Strategy of Azole Antifungal Resistance Conserved across Pathogenic and Nonpathogenic Yeast.
Khandelwal NK, Wasi M, Nair R, Gupta M, Kumar M, Mondal AK, Gaur NA, Prasad R. PMID: 30642932.
Azole resistance in a Candida albicans mutant lacking the ABC transporter CDR6/ROA1 depends on TOR signaling.
Khandelwal NK, Chauhan N, Sarkar P, Esquivel BD, Coccetti P, Singh A, Coste AT, Gupta M, Sanglard D, White TC, Chauvel M, d'Enfert C, Chattopadhyay A, Gaur NA, Mondal AK, Prasad R. PMID: 29158264.
*JBC cover page
Ligand-induced conformation changes drive ATP hydrolysis and function in SMARCAL1.
FEBS Journal. 2015
Gupta M, Mazumder M, Dhatchinamoorthy K, Nongkhlaw M, Haokip DT, Gourinath S, Komath SS, Muthuswami R. PMID: 26195148.
Motifs Q and I are required for ATP hydrolysis but not for ATP binding in SWI2/SNF2 proteins.
Biochemistry. 2012
Nongkhlaw M*, Gupta M*, Komath SS, Muthuswami R. PMID: 22510062. *equal first authors