Structural dynamics and functional cooperativity of human NQO1 by ambient temperature serial crystallography and simulations.

Grieco A, Boneta S, Gavira JA, Pey AL, Basu S, Orlans J, Sanctis D, Medina M, Martin-Garcia JM

Protein science : a publication of the Protein Society, 2024

doi:10.1002/pro.4957.

Droplet microfluidics for time-resolved serial crystallography.

Stubbs J, Hornsey T, Hanrahan N, Esteban LB, Bolton R, Malý M, Basu S, Orlans J, de Sanctis D, Shim JU, Shaw Stewart PD, Orville AM, Tews I, West J

IUCrJ, 2024

doi:10.1107/s2052252524001799.

Structural basis of tRNA recognition by the m3C-RNA-methyltransferase METTL6 in complex with SerRS seryl-tRNA synthetase.

Throll P, Dolce LG, Lastres PR, Arnold K, Tengo L, Basu S, Kaiser S, Schneider R, Kowalinski E

bioRxiv, 2023

doi:10.1101/2023.12.05.570192.

Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.

Eymery MC, Nguyen KA, Basu S, Hausmann J, Tran-Nguyen VK, Seidel HP, Gutierrez L, Boumendjel A, McCarthy AA

European journal of medicinal chemistry, 2023

doi:10.1016/j.ejmech.2023.115944.

ID23-2: an automated and high-performance microfocus beamline for macromolecular crystallography at the ESRF. Corrigendum.

Nanao M, Basu S, Zander U, Giraud T, Surr J, Guijarro M, Lentini M, Felisaz F, Sinoir J, Morawe C, Vivo A, Beteva A, Oscarsson M, Caserotto H, Dobias F, Flot D, Nurizzo D, Gigmes J, Foos N, Siebrecht R, Roth T, Theveneau P, Svensson O, Papp G, Lavault B, Cipriani F, Barrett R, Clavel C, Leonard G

Journal of synchrotron radiation, 2022

doi:10.1107/S1600577522000984.

ID23-2: an automated and high-performance microfocus beamline for macromolecular crystallography at the ESRF.

Nanao M, Basu S, Zander U, Giraud T, Surr J, Guijarro M, Lentini M, Felisaz F, Sinoir J, Morawe C, Vivo A, Beteva A, Oscarsson M, Caserotto H, Dobias F, Flot D, Nurizzo D, Gigmes J, Foos N, Siebrecht R, Roth T, Theveneau P, Svensson O, Papp G, Lavault B, Cipriani F, Barrett R, Clavel C, Leonard G

Journal of synchrotron radiation, 2022

doi:10.1107/S1600577522000984.

An automated platform for structural analysis of membrane proteins through serial crystallography.

Healey RD, Basu S, Humm AS, Leyrat C, Cong X, Golebiowski J, Dupeux F, Pica A, Granier S, Márquez JA

Cell reports methods, 2021

doi:10.1016/j.crmeth.2021.100102.

Discovery and mechanism of action of small molecule inhibitors of ceramidases.

Healey RD, Saied EM, Cong X, Karsai G, Gabellier L, Saint Paul J, Del Nero E, Jeannot S, Drapeau M, Fontanel S, Maurel D, Basu S, Leyrat C, Golebiowski J, Bossis G, Bechara C, Hornemann T, Arenz C, Granier S

Angewandte Chemie (International ed. in English), 2021

doi:10.1002/anie.202109967.

Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography.

Martiel I, Huang CY, Villanueva-Perez P, Panepucci E, Basu S, Caffrey M, Pedrini B, Bunk O, Stampanoni M, Wang M

IUCrJ, 2020

doi:10.1107/S2052252520013238.

Attaining atomic resolution from in situ data collection at room temperature using counter-diffusion-based low-cost microchips.

Gavira JA, Rodriguez-Ruiz I, Martinez-Rodriguez S, Basu S, Teychené S, McCarthy AA, Mueller-Dieckman C

Acta crystallographica. Section D, Structural biology, 2020

doi:10.1107/S2059798320008475.

In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of genuine co-factors.

Nass K, Redecke L, Perbandt M, Yefanov O, Klinge M, Koopmann R, Stellato F, Gabdulkhakov A, Schönherr R, Rehders D, Lahey-Rudolph JM, Aquila A, Barty A, Basu S, Doak RB, Duden R, Frank M, Fromme R, Kassemeyer S, Katona G, Kirian R, Liu H, Majoul I, Martin-Garcia JM, Messerschmidt M, Shoeman RL, Weierstall U, Westenhoff S, White TA, Williams GJ, Yoon CH, Zatsepin N, Fromme P, Duszenko M, Chapman HN, Betzel C

Nature communications, 2020

doi:10.1038/s41467-020-14484-w.

XFEL and NMR structures of Francisella lipoprotein reveal conformational space of drug target against tularemia.

Zook J, Shekhar M, Hansen D, Conrad C, Grant T, Gupta C, White T, Barty A, , Zhao Y, Zatsepin N, Ishchenko A, Batyuk A, Gati C, Li C, Coe J, Galli L, Liang M, Hunter M, Nelson G, Weierstall U, Stauch B, James D, Thifault D, Craciunescu F, Cherezov V, Liu W, Fromme P, Singharoy A

Structure (London, England : 1993), 2020

doi:10.1016/j.str.2020.02.005.

Long-wavelength native-SAD phasing: opportunities and challenges.

Basu S, Olieric V, Leonarski F, Matsugaki N, Kawano Y, Takashi T, Huang CY, Yamada Y, Vera L, Olieric N, Basquin J, Wojdyla JA, Bunk O, Diederichs K, Yamamoto M, Wang M

IUCrJ, 2019

doi:10.1107/S2052252519002756.

Making routine native SAD a reality: lessons from beamline X06DA at the swiss light source.

Basu S, Finke A, Vera L, Wang M, Olieric V

Acta crystallographica. Section D, Structural biology, 2019

doi:10.1107/S2059798319003103.

X-ray Emission Spectroscopy at X-ray Free Electron Lasers: Limits to Observation of the Classical Spectroscopic Response for Electronic Structure Analysis.

Jensen SC, Sullivan B, Hartzler DA, Aguilar JM, Awel S, Bajt S, Basu S, Bean R, Chapman HN, Conrad C, Frank M, Fromme R, Martin-Garcia JM, Grant TD, Heymann M, Ketawala G, Hunter MS, Knoska J, Kirian RA, Li X, Kupitz C, Lisova S, Liang M, Mazalova V, Mariani V, Moran M, Messerschmidt M, Oberthür D, Nelson G, Sierra RG, Schaffer A, Wiedorn MO, Xavier PL, Vaughn N, Weierstall U, Zatsepin NA, Aquila A, Yang JH, Yefanov O, Seidler GT, Pushkar Y, Fromme P, Boutet S

The journal of physical chemistry letters, 2019

doi:10.1021/acs.jpclett.8b03595.

Structure of a human intramembrane ceramidase explains enzymatic dysfunction found in leukodystrophy.

Vasiliauskaité-Brooks I, Healey RD, Rochaix P, Saint-Paul J, Sounier R, Grison C, Waltrich-Augusto T, Fortier M, Hoh F, Saied EM, Arenz C, Basu S, Leyrat C, Granier S

Nature communications, 2018

doi:10.1038/s41467-018-07864-w.

Automated data collection and real-time data analysis suite for serial synchrotron crystallography.

Basu S, Kaminski JW, Panepucci E, Huang CY, Warshamanage R, Wang M, Wojdyla JA

Journal of synchrotron radiation, 2019

doi:10.1107/S1600577518016570.

In situ serial crystallography for rapid de novo membrane protein structure determination.

Huang CY, Olieric V, Howe N, Warshamanage R, Weinert T, Panepucci E, Vogeley L, Basu S, Diederichs K, Caffrey M, Wang M

Communications biology, 2018

doi:10.1038/s42003-018-0123-6.

Free-electron laser data for multiple-particle fluctuation scattering analysis.

Pande K, Donatelli JJ, Malmerberg E, Foucar L, Poon BK, Sutter M, Botha S, Basu S, Bruce Doak R, Dörner K, Epp SW, Englert L, Fromme R, Hartmann E, Hartmann R, Hattne J, Hauser G, Kassemeyer S, Hosseinizadeh A, Montero SFC, Lomb L, Rolles D, Menzel A, Seibert MM, Rudenko A, Schwander P, Sierra RG, Fromme P, Ourmazd A, Bogan M, Sauter NK, Schlichting I, Kerfeld CA, Bozek J, Bostedt C, Zwart PH

Scientific data, 2018

doi:10.1038/sdata.2018.201.

Molecular architecture of the multifunctional collagen lysyl hydroxylase and glycosyltransferase LH3.

Scietti L, Chiapparino A, De Giorgi F, Fumagalli M, Khoriauli L, Nergadze S, Basu S, Olieric V, Cucca L, Banushi B, Profumo A, Giulotto E, Gissen P, Forneris F

Nature communications, 2018

doi:10.1038/s41467-018-05631-5.

Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.

Weinert T, Olieric N, Cheng R, Brünle S, James D, Ozerov D, Gashi D, Vera L, Marsh M, Jaeger K, Dworkowski F, Panepucci E, Basu S, Skopintsev P, Doré AS, Cooke RM, Geng T, Prota AE, Liang M, Nogly P, Panneels V, Schertler G, Ermler U, Steinmetz MO, Hennig M, Standfuss J, Wang M

Nature communications, 2017

doi:10.1038/s41467-017-00630-4.

Structural insights into the extracellular recognition of the human serotonin 2B receptor by an antibody.

Ishchenko A, Wacker D, Kapoor M, Zhang A, Han GW, Basu S, Patel N, Messerschmidt M, Weierstall U, Liu W, Katritch V, Roth BL, Stevens RC, Cherezov V

Proceedings of the National Academy of Sciences of the United States of America, 2017

doi:10.1073/pnas.1700891114.

Oxidase determined by serial femtosecond X-ray crystallography at room temperature.

Ishigami I, Zatsepin NA, Hikita M, Conrad CE, Nelson G, Coe JD, Basu S, Grant TD, Seaberg MH, Sierra RG, Hunter MS, Fromme P, Fromme R, Yeh SR, Rousseau DL

Proceedings of the National Academy of Sciences of the United States of America, 2017

doi:10.1073/pnas.1705628114.

Structural enzymology using X-ray free electron lasers.

Kupitz C, Olmos JL, Holl M, Tremblay L, Pande K, Pandey S, Oberthür D, Hunter M, Liang M, Aquila A, Tenboer J, Calvey G, Katz A, Chen Y, Wiedorn MO, Meents A, Knoska J, Norwood T, Majriani V, Grant T, Poudyal I, Xu W, Miller MD, Morgan A, Tolstikova A, Martin-Garcia JM, Metz M, Roy-Chowdhury S, Zook JD, Nagaratnam N, Coe J, Basu S, Frank M, Meza D, Fromme R, Bajt S, Yefanov O, White T, Barty A, Nelson G, Weierstall U, Chapman HN, Zatsepin N, Pollack L, Fromme P, Spence J, Schwander P, Schmidt M, Phillips GN, Ourmazd A

Structural dynamics (Melville, N.Y.), 2017

doi:10.1063/1.4972069.

Diffraction data of core-shell nanoparticles from an X-ray free electron laser.

Li X, Chiu CY, Wang HJ, Kassemeyer S, Botha S, Shoeman RL, Lawrence RM, Kupitz C, Kirian R, James D, Wang D, Nelson G, Messerschmidt M, Boutet S, Williams GJ, Jafarpour A, Hartmann E, Barty A, Foucar LM, Liang M, Chapman H, Wang F, Menzel A, Fromme R, Basu S, Fromme P, Doak RB, Huang MH, Weierstall U, Schlichting I, Spence JC, Hogue BG, Liu H

Scientific data, 2017

doi:10.1038/sdata.2017.48.

Atomic structure of granulin determined from native nanocrystalline granulovirus using an X-ray free-electron laser.

Gati C, Oberthuer D, Yefanov O, Bunker RD, Stellato F, Chiu E, Yeh SM, Aquila A, Basu S, Bean R, Beyerlein KR, Botha S, Boutet S, DePonte DP, Doak RB, Galli L, Fromme R, James DR, Grotjohann I, Lomb L, Kupitz C, Nass K, Messerschmidt M, Shoeman RL, Rendek K, Weierstall U, Wang D, Williams GJ, White TA, Fromme P, Zatsepin NA, Jehle JA, Metcalf P, Spence JC, Goldie KN, Barty A, Chapman HN

Proceedings of the National Academy of Sciences of the United States of America, 2017

doi:10.1073/pnas.1609243114.

Serial femtosecond crystallography datasets from G protein-coupled receptors.

White TA, Barty A, Liu W, Ishchenko A, Zhang H, Gati C, Zatsepin NA, Basu S, Oberthür D, Metz M, Beyerlein KR, Yoon CH, Yefanov OM, James D, Wang D, Koglin JE, Messerschmidt M, Weierstall U, Boutet S, Cherezov V

Scientific data, 2016

doi:10.1038/sdata.2016.57.

Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein.

Pande K, Hutchison CD, Groenhof G, Aquila A, Robinson JS, Tenboer J, Basu S, Boutet S, DePonte DP, Liang M, White TA, Zatsepin NA, Yefanov O, Morozov D, Oberthuer D, Subramanian G, Gati C, Zhao Y, James D, Brayshaw J, Koralek J, Conrad C, Kupitz C, Coe JD, Roy-Chowdhury S, Xavier PL, Metz M, Koglin JE, Grant TD, Fromme R, Ketawala G, Spence JC, Ourmazd A, Šrajer V, Henning R, Frank M, Fromme P, Schwander P, Weierstall U, Moffat K, van Thor JJ, Barty A, Chapman HN, Schmidt M

Science (New York, N.Y.), 2016

doi:10.1126/science.aad5081.

Macromolecular diffractive imaging using imperfect crystals.

Ayyer K, Yefanov OM, Oberthür D, Roy-Chowdhury S, Galli L, Mariani V, Basu S, Coe J, Conrad CE, Fromme R, Schaffer A, Dörner K, James D, Kupitz C, Metz M, Xavier PL, Nelson G, Schmidt M, Beyerlein KR, Spence JC, Sarrou I, White TA, Weierstall U, Zhao Y, Yang JH, Aquila A, Liang M, Robinson JS, Hunter MS, Boutet S, Koglin JE, Chapman HN, Fromme P, Barty A

Nature, 2016

doi:10.1038/nature16949.

Ternary structure reveals mechanism of a membrane diacylglycerol kinase.

Li D, Stansfeld PJ, Sansom MS, Keogh A, Vogeley L, Howe N, Lyons JA, Aragao D, Fromme P, Fromme R, Basu S, Grotjohann I, Kupitz C, Rendek K, Weierstall U, Cherezov V, Zatsepin NA, Bandaru S, Liu W, Gati C, English NJ, Yefanov O, Barty A, Diederichs K, Chapman HN, Boutet S, Messerschmidt M, Marvin Seibert M, Williams GJ, Caffrey M

Nature communications, 2015

doi:10.1038/ncomms10140.

Serial femtosecond crystallography of soluble proteins in lipidic cubic phase.

Fromme R, Ishchenko A, Metz M, Chowdhury SR, Basu S, Boutet S, Fromme P, White TA, Barty A, Spence JC, Weierstall U, Liu W, Cherezov V

IUCrJ, 2015

doi:10.1107/S2052252515013160.

Room temperature structures beyond 1.5 Å by serial femtosecond crystallography.

Schmidt M, Pande K, Basu S, Tenboer J

Structural dynamics (Melville, N.Y.), 2015

doi:10.1063/1.4919903.

Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser.

Kang Y, Zhou XE, Gao X, He Y, Liu W, Ishchenko A, Barty A, White TA, Yefanov O, Han GW, Xu Q, de Waal PW, Ke J, Tan MH, Zhang C, West GM, Moeller A, Van Eps N, Pascal BD, Vishnivetskiy SA, Caro LN, Suino-Powell KM, Lee RJ, Pal K, Gu X, Zhi X, Ma J, Williams GJ, Boutet S, Gati C, Messerschmidt M, James D, Basu S, Zatsepin NA, Wang D, Coe J, Liu H, Roy-Chowdhury S, Conrad CE, Grotjohann I, Fromme R, Lisova S, Kupitz C, Yang H, Li J, Jiang Y, Tan M, Howe N, Li D, Zheng Z, Wang M, Dong Y, Diederichs K, Standfuss J, Zhao Y, Jiang H, Caffrey M, Carragher B, Potter CS, Weierstall U, Fromme P, Spence JC, Chapman HN, Hubbell WL, Stevens RC, Cherezov V, Melcher K, Ernst OP, Katritch V, Gurevich VV, Griffin PR, Xu HE

Nature, 2015

doi:10.1038/nature14656.

A novel inert crystal delivery medium for serial femtosecond crystallography.

Conrad CE, Basu S, James D, Wang D, Schaffer A, Roy-Chowdhury S, Zatsepin NA, Aquila A, Coe J, Gati C, Hunter MS, Koglin JE, Kupitz C, Nelson G, Subramanian G, Zhao Y, White TA, Boutet S, Zook J, Spence JC, Cherezov V, Weierstall U, Fromme R, Fromme P

IUCrJ, 2015

doi:10.1107/S2052252515009811.

Structural basis for bifunctional peptide recognition at human δ-opioid receptor.

Fenalti G, Zatsepin NA, Betti C, Giguere P, Han GW, Ishchenko A, Liu W, Guillemyn K, Zhang H, James D, Wang D, Weierstall U, Spence JC, Boutet S, Messerschmidt M, Gati C, Williams GJ, White TA, Yefanov OM, Metz M, Oberthuer D, Barty A, Yoon CH, Basu S, Chapman HN, Conrad CE, Coe J, Fromme P, Fromme R, Schiller PW, Tourwé D, Katritch V, Stevens RC, Roth BL, Ballet S, Cherezov V

Nature structural & molecular biology, 2015

doi:10.1038/nsmb.2965.

Solving protein nanocrystals by cryo-EM diffraction: multiple scattering artifacts.

Subramanian G, Basu S, Liu H, Zuo JM, Spence JCH

Ultramicroscopy, 2015

doi:10.1016/j.ultramic.2014.08.013.

Lipidic cubic phase injector facilitates membrane protein serial femtosecond crystallography.

Weierstall U, James D, Wang C, White TA, Wang D, Liu W, Spence JC, Bruce Doak R, Nelson G, Fromme P, Fromme R, Grotjohann I, Kupitz C, Zatsepin NA, Liu H, Wacker D, Basu S, Katritch V, Han GW, Messerschmidt M, Boutet S, Koglin JE, Williams GJ, Klinker M, Marvin Seibert M, Shoeman RL, Gati C, Chapman HN, Barty A, Beyerlein KR, Kirian RA, Shah ST, Howe N, Stevens RC, Li D, Caffrey M, Cherezov V

Nature communications, 2014

doi:10.1038/ncomms4309.

Time-resolved serial crystallography captures high-resolution intermediates of photoactive yellow protein.

Tenboer J, Basu S, Zatsepin N, Pande K, Milathianaki D, Frank M, Hunter M, Boutet S, Williams GJ, Koglin JE, Oberthuer D, Heymann M, Kupitz C, Conrad C, Coe J, Weierstall U, Roy-Chowdhury S, Wang D, James D, Barty A, Grant T, Scales J, Yefanov O, Seuring C, Gati C, Henning R, Srajer V, Fromme R, Schwander P, Moffat K, Ourmazd A, Fromme P, Chapman HN, Van Thor JJ, Spence JC, Schmidt M

Science (New York, N.Y.), 2014

doi:10.1126/science.1259357.

Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.

Kupitz C, Basu S, Grotjohann I, Fromme R, Zatsepin NA, Rendek KN, Hunter MS, Shoeman RL, White TA, Wang D, James D, Yang JH, Cobb DE, Reeder B, Sierra RG, Barty A, Liu H, Deponte D, Aquila AL, Bari S, Kirian RA, Beyerlein KR, Bergkamp JJ, Caleman C, Bogan MJ, Conrad CE, Chao TC, Fleckenstein H, Davis KM, Hau-Riege SP, Galli L, Liang M, Lomb L, Kassemeyer S, Laksmono H, Messerschmidt M, Milathianaki D, Marchesini S, Martin AV, Roy-Chowdhury S, Schmidt K, Nass K, Ros A, Stellato F, Yan L, Seibert M, Steinbrener J, Pushkar Y, Moore AL, Moore TA, Yoon C, Weierstall U, Doak RB, Boutet S, Williams GJ, Fromme P, Spence JC, Chapman HN, Frank M

Nature, 2014

doi:10.1038/nature13453.

Expression, purification and crystallization of CTB-MPR, a candidate mucosal vaccine component against HIV-1.

Lee HH, Cherni I, Yu H, Fromme R, Doran JD, Grotjohann I, Mittman M, Basu S, Deb A, Dörner K, Aquila A, Barty A, Boutet S, Chapman HN, Doak RB, James D, Hunter MS, Kupitz C, Kirian RA, Liu H, Lawrence RM, Schlichting I, Nass K, Seibert MM, Schmidt KE, Spence JC, Shoeman RL, Weierstall U, Stellato F, Yoon C, Williams GJ, Hogue BG, Matoba N, Wang D, Zatsepin NA, Fromme P, Mor TS

IUCrJ, 2014

doi:10.1107/S2052252514014900.

Serial femtosecond crystallography of G protein-coupled receptors.

Liu W, Wacker D, Gati C, Han GW, James D, Wang D, Nelson G, Weierstall U, Katritch V, Barty A, Zatsepin NA, Li D, Messerschmidt M, Boutet S, Williams GJ, Seibert MM, Koglin JE, Shah ST, Wang C, Fromme R, Basu S, Rendek KN, Kupitz C, Fromme P, Grotjohann I, Beyerlein KR, Kirian RA, Chapman HN, White TA, Spence JC, Caffrey M, Stevens RC, Cherezov V

Science (New York, N.Y.), 2013

doi:10.1126/science.1244142.