Publications

Bertrand Q, Nogly P, Nango E, Kekilli D, Khusainov G, Furrer A, et al.
Structural effects of high laser power densities on an early bacteriorhodopsin photocycle intermediate
Nature Communications. 2024; 15: 10278 (11 pp.). https://doi.org/10.1038/s41467-024-54422-8
DORA PSI

Compain G, Monsarrat C, Blagojevic J, Brillet K, Dumas P, Hammann P, et al.
Peptide-based covalent inhibitors bearing mild electrophiles to target a conserved his residue of the bacterial sliding clamp
JACS Au. 2024; 4(2): 432-440. https://doi.org/10.1021/jacsau.3c00572
DORA PSI

Flores-Ibarra A, Maia RNA, Olasz B, Church JR, Gotthard G, Schapiro I, et al.
Light-oxygen-voltage (LOV)-sensing domains: activation mechanism and optogenetic stimulation
Journal of Molecular Biology. 2024; 436(5): 168356 (19 pp.). https://doi.org/10.1016/j.jmb.2023.168356
DORA PSI

Gotthard G, Flores-Ibarra A, Carrillo M, Kepa MW, Mason TJ, Stegmann DP, et al.
Fixed-target pump–probe SFX: eliminating the scourge of light contamination
IUCrJ. 2024; 11(5): 1-13. https://doi.org/10.1107/S2052252524005591
DORA PSI

Huang C-Y, Aumonier S, Olieric V, Wang M
Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals
Acta Crystallographica Section D: Structural Biology. 2024; 80(8): 620-628. https://doi.org/10.1107/S2059798324006697
DORA PSI

Huang CY, Metz A, Lange R, Artico N, Potot C, Hazemann J, et al.
Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket
Acta Crystallographica Section D: Structural Biology. 2024; 80: 123-136. https://doi.org/10.1107/S2059798324000329
DORA PSI

Just DM, Brüstle M, Guntli S, Siebold H, Widmer R, Buntschu D, et al.
Phase 0 front ends: live prototypes for SLS 2.0
Presented at: 15th international conference on synchrotron radiation instrumentation (SRI) 2024; August 26-30, 2024; Hamburg.
DORA PSI

Mastria R, Riisnaes KJ, Bacon A, Leontis I, Lam HT, Alshehri MAS, et al.
Real time and highly sensitive sub-wavelength 2D hybrid perovskite photodetectors
Advanced Functional Materials. 2024; 34(36): 2401903 (9 pp.). https://doi.org/10.1002/adfm.202401903
DORA PSI

Metz A, Stegmann DP, Panepucci EH, Buehlmann S, Huang CY, McAuley KE, et al.
HEIDI: an experiment-management platform enabling high-throughput fragment and compound screening
Acta Crystallographica Section D: Structural Biology. 2024; 80: 328-335. https://doi.org/10.1107/S2059798324002833
DORA PSI

Nievergelt P, Berliat F, McAuley KE, Dorgan CR, van Well RM, Thorn A, et al.
RNA oligomers at atomic resolution containing 1-methylpseudouridine, an essential building block of mRNA vaccines
ChemMedChem. 2024; 19(7): e202300600 (5 pp.). https://doi.org/10.1002/cmdc.202300600
DORA PSI

Tsujino S, Sato Y, Jia S, Kepa MW, Trampari S, Tomizaki T
Inertial mixing of acoustically levitated droplets for time-lapse protein crystallography
Droplet. 2024; 3(3): e132 (11 PP.). https://doi.org/10.1002/dro2.132
DORA PSI

Boland C, Huang C-Y, Shanker Kaki S, Wang M, Olieric V, Caffrey M
Se-MAG is a convenient additive for experimental phasing and structure determination of membrane proteins crystallised by the lipid cubic phase (in meso) method
Crystals. 2023; 13(9): 1402 (20 pp.). https://doi.org/10.3390/cryst13091402
DORA PSI

Carrillo M, Mason TJ, Karpik A, Martiel I, Kepa MW, McAuley KE, et al.
Micro-structured polymer fixed targets for serial crystallography at synchrotrons and XFELs
IUCrJ. 2023; 10(6): 678-693. https://doi.org/10.1107/S2052252523007595
DORA PSI

Christou N-E, Apostolopoulou V, Melo DVM, Ruppert M, Fadini A, Henkel A, et al.
Time-resolved crystallography captures light-driven DNA repair
Science. 2023; 382(6674): 1015-1020. https://doi.org/10.1126/science.adj4270
DORA PSI

Gruhl T, Weinert T, Rodrigues MJ, Milne CJ, Ortolani G, Nass K, et al.
Ultrafast structural changes direct the first molecular events of vision
Nature. 2023; 615: 939-944. https://doi.org/10.1038/s41586-023-05863-6
DORA PSI

Nguyen HTV, Chen X, Parada C, Luo A-C, Shih O, Jeng U-S, et al.
Structure of the heterotrimeric membrane protein complex FtsB-FtsL-FtsQ of the bacterial divisome
Nature Communications. 2023; 14(1): 1903 (13 pp.). https://doi.org/10.1038/s41467-023-37543-4
DORA PSI

Owen RL, de Sanctis D, Pearson AR, Beale JH
A standard descriptor for fixed-target serial crystallography
Acta Crystallographica Section D: Structural Biology. 2023; 79(8): 668-672. https://doi.org/10.1107/S2059798323005429
DORA PSI

Qin B, Li Z, Tang K, Wang T, Xie Y, Aumonier S, et al.
Identification of the SARS-unique domain of SARS-CoV-2 as an antiviral target
Nature Communications. 2023; 14(1): 3999 (13 pp.). https://doi.org/10.1038/s41467-023-39709-6
DORA PSI

Smith KML, Panepucci E, Kaminski JW, Aumonier S, Huang C-Y, Eris D, et al.
SDU - software for high-throughput automated data collection at the Swiss Light Source
Journal of Synchrotron Radiation. 2023; 30: 538-545. https://doi.org/10.1107/S1600577523002631
DORA PSI

Smithers L, Degtjarik O, Weichert D, Huang C-Y, Boland C, Bowen K, et al.
Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N-acyltransferase
Science Advances. 2023; 9(26): eadf5799 (17 pp.). https://doi.org/10.1126/sciadv.adf5799
DORA PSI

Stegmann DP, Steuber J, Fritz G, Wojdyla JA, Sharpe ME
Fast fragment and compound screening pipeline at the Swiss Light Source
In: Methods in enzymology. sine loco: Elsevier; 2023:235-284. https://doi.org/10.1016/bs.mie.2023.08.005
DORA PSI

Wranik M, Kepa MW, Beale EV, James D, Bertrand Q, Weinert T, et al.
A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers
Nature Communications. 2023; 14(1): 7956 (12 pp.). https://doi.org/10.1038/s41467-023-43523-5
DORA PSI

Wranik M, Weinert T, Slavov C, Masini T, Furrer A, Gaillard N, et al.
Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography
Nature Communications. 2023; 14(1): 903 (12 pp.). https://doi.org/10.1038/s41467-023-36481-5
DORA PSI

Abiko LA, Dias Teixeira R, Engilberge S, Grahl A, Mühlethaler T, Sharpe T, et al.
Filling of a water-free void explains the allosteric regulation of the β₁-adrenergic receptor by cholesterol
Nature Chemistry. 2022; 14: 1133-1141. https://doi.org/10.1038/s41557-022-01009-9
DORA PSI

Alsarraf HMAB, Ung KL, Johansen MD, Dimon J, Olieric V, Kremer L, et al.
Biochemical, structural, and functional studies reveal that MAB_4324c from Mycobacterium abscessus is an active tandem repeat N‐acetyltransferase
FEBS Letters. 2022; 596(12): 1516-1532. https://doi.org/10.1002/1873-3468.14360
DORA PSI

Aumonier S, Engilberge S, Caramello N, von Stetten D, Gotthard G, Leonard GA, et al.
Slow protein dynamics probed by time-resolved oscillation crystallography at room temperature
IUCrJ. 2022; 9(6): 756-767. https://doi.org/10.1107/S2052252522009150
DORA PSI

Bleuler-Martinez S, Varrot A, Olieric V, Schubert M, Vogt E, Fetz C, et al.
Structure–function relationship of a novel fucoside-binding fruiting body lectin from Coprinopsis cinerea exhibiting nematotoxic activity
Glycobiology. 2022; 32(7): 600-615. https://doi.org/10.1093/glycob/cwac020
DORA PSI

Cellini A, Shankar MK, Wahlgren WY, Nimmrich A, Furrer A, James D, et al.
Structural basis of the radical pair state in photolyases and cryptochromes
Chemical Communications. 2022; 58(31): 4889-4892. https://doi.org/10.1039/D2CC00376G
DORA PSI

Collu G, Bierig T, Krebs A-S, Engilberge S, Varma N, Guixà-González R, et al.
Chimeric single α-helical domains as rigid fusion protein connections for protein nanotechnology and structural biology
Structure. 2022; 30(1): 95-106. https://doi.org/10.1016/j.str.2021.09.002
DORA PSI

Huang C-Y, Aumonier S, Engilberge S, Eris D, Smith KML, Leonarski F, et al.
Probing ligand binding of endothiapepsin by 'temperature-resolved' macromolecular crystallography
Acta Crystallographica Section D: Structural Biology. 2022; 78: 964-974. https://doi.org/10.1107/S205979832200612X
DORA PSI

Kaminski JW, Vera L, Stegmann DP, Vering J, Eris D, Smith KML, et al.
Fast fragment- and compound-screening pipeline at the Swiss Light Source
Acta Crystallographica Section D: Structural Biology. 2022; 78: 328-336. https://doi.org/10.1107/S2059798322000705
DORA PSI

Kepa MW, Tomizaki T, Sato Y, Ozerov D, Sekiguchi H, Yasuda N, et al.
Acoustic levitation and rotation of thin films and their application for room temperature protein crystallography
Scientific Reports. 2022; 12: 5349 (14 pp.). https://doi.org/10.1038/s41598-022-09167-z
DORA PSI

Mertens V, Abi Saad MJ, Coudevylle N, Wälti MA, Finke A, Marsh M, et al.
Elucidation of a nutlin-derivative-HDM2 complex structure at the interaction site by NMR molecular replacement: a straightforward derivation
Journal of Magnetic Resonance Open. 2022; 10-11: 100032 (5 pp.). https://doi.org/10.1016/j.jmro.2022.100032
DORA PSI

Moreno-Chicano T, Carey LM, Axford D, Beale JH, Doak RB, Duyvesteyn HME, et al.
Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature
IUCrJ. 2022; 9(5): 610-624. https://doi.org/10.1107/S2052252522006418
DORA PSI

Mous S, Gotthard G, Ehrenberg D, Sen S, Weinert T, Johnson PJM, et al.
Dynamics and mechanism of a light-driven chloride pump
Science. 2022; 375(6583): 845-851. https://doi.org/10.1126/science.abj6663
DORA PSI

Pedrini B, Finke AD, Marsh M, Luporini P, Vallesi A, Alimenti C
Crystal structure of the pheromone Er-13 from the ciliate Euplotes raikovi, with implications for a protein-protein association model in pheromone/receptor interactions
Journal of Structural Biology. 2022; 214(1): 107812 (10 pp.). https://doi.org/10.1016/j.jsb.2021.107812
DORA PSI

Qiao Z, Kong Q, Tee WT, Lim ARQ, Teo MX, Olieric V, et al.
Molecular basis of the key regulator WRINKLED1 in plant oil biosynthesis
Science Advances. 2022; 8(34): eabq1211 (10 pp.). https://doi.org/10.1126/sciadv.abq1211
DORA PSI

Wang H, Mörman C, Sternke-Hoffmann R, Huang CY, Prota A, Ma P, et al.
Cu²⁺ ions modulate the interaction between α-synuclein and lipid membranes
Journal of Inorganic Biochemistry. 2022; 236: 111945 (10 pp.). https://doi.org/10.1016/j.jinorgbio.2022.111945
DORA PSI

Xu Q, Sun N, Xiao Q, Huang C-ying, Xu M, Zhang W, et al.
The crystal structure of MreC provides insights into polymer formation
FEBS Open Bio. 2022; 12(2): 340-348. https://doi.org/10.1002/2211-5463.13296
DORA PSI

Ashton A, Augustin S, Babic A, Celcer T, Ebner SG, Egli S, et al.
Conceptual design report on controls and science IT for the SLS 2.0 upgrade project
Villigen PSI, Switzerland: Paul Scherrer Institut; 2021. PSI Bericht: 21-03.
DORA PSI

Beale JH, Marsh ME
Optimizing the growth of endothiapepsin crystals for serial crystallography experiments
Journal of Visualized Experiments. 2021; 168: e61896 (30 pp.). https://doi.org/10.3791/61896
DORA PSI

Braun H, Garvey T, Jörg M, Ashton A, Willmott P, Kobler R, et al.
SLS 2.0 storage ring. Technical design report
Villigen PSI, Switzerland: Paul Scherrer Institut; 2021. PSI Bericht: 21-02.
DORA PSI

Butryn A, Simon PS, Aller P, Hinchliffe P, Massad RN, Leen G, et al.
An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography
Nature Communications. 2021; 12(1): 4461 (7 pp.). https://doi.org/10.1038/s41467-021-24757-7
DORA PSI

Cinquino M, Fieramosca A, Mastria R, Polimeno L, Moliterni A, Olieric V, et al.
Managing growth and dimensionality of quasi 2D perovskite single-crystalline flakes for tunable excitons orientation
Advanced Materials. 2021; 33(48): 2102326 (9 pp.). https://doi.org/10.1002/adma.202102326
DORA PSI

Dhanabalan B, Biffi G, Moliterni A, Olieric V, Giannini C, Saleh G, et al.
Engineering the optical emission and robustness of metal-halide layered perovskites through ligand accommodation
Advanced Materials. 2021; 33(13): 2008004 (11 pp.). https://doi.org/10.1002/adma.202008004
DORA PSI

Gao X, Zhu K, Qin B, Olieric V, Wang M, Cui S
Crystal structure of SARS-CoV-2 Orf9b in complex with human TOM70 suggests unusual virus-host interactions
Nature Communications. 2021; 12(1): 2843 (9 pp.). https://doi.org/10.1038/s41467-021-23118-8
DORA PSI

Gao X, Qin B, Chen P, Zhu K, Hou P, Wojdyla JA, et al.
Crystal structure of SARS-CoV-2 papain-like protease
Acta Pharmaceutica Sinica B. 2021; 11(1): 237-245. https://doi.org/10.1016/j.apsb.2020.08.014
DORA PSI

Gao C, Stavenhagen K, Eckmair B, McKitrick TR, Mehta AY, Matsumoto Y, et al.
Differential recognition of oligomannose isomers by glycan-binding proteins involved in innate and adaptive immunity
Science Advances. 2021; 7(24): eabf6834 (12 pp.). https://doi.org/10.1126/sciadv.abf6834
DORA PSI

Hahn CJ, Lemaire ON, Kahnt J, Engilberge S, Wegener G, Wagner T
Crystal structure of a key enzyme for anaerobic ethane activation
Science. 2021; 373(6550): 118-121. https://doi.org/10.1126/science.abg1765
DORA PSI

Iorio A, Roche J, Engilberge S, Coquelle N, Girard E, Sterpone F, et al.
Biochemical, structural and dynamical studies reveal strong differences in the thermal-dependent allosteric behavior of two extremophilic lactate dehydrogenases
Journal of Structural Biology. 2021; 213(3): 107769 (11 pp.). https://doi.org/10.1016/j.jsb.2021.107769
DORA PSI

Kepa MW, Tomizaki T, Tsujino S
Development of on-demand sample loading of ultrasound acoustic levitators by focused acoustic radiation
In: IEEE international ultrasonics symposium (IUS 2021). Danvers, MA: IEEE; 2021:(3 pp.). https://doi.org/10.1109/IUS52206.2021.9593735
DORA PSI

Li H, Huang C-Y, Govorunova EG, Sineshchekov OA, Yi A, Rothschild KJ, et al.
The crystal structure of bromide-bound GtACR1 reveals a pre-activated state in the transmembrane anion tunnel
eLife. 2021; 10: e65903 (14 pp.). https://doi.org/10.7554/eLife.65903
DORA PSI

Martiel I, Beale JH, Karpik A, Huang C-Y, Vera L, Olieric N, et al.
Versatile microporous polymer-based supports for serial macromolecular crystallography
Acta Crystallographica Section D: Structural Biology. 2021; 77(9): 1153-1167. https://doi.org/10.1107/S2059798321007324
DORA PSI

Monsarrat C, Compain G, André C, Engilberge S, Martiel I, Oliéric V, et al.
Iterative structure-based optimization of short peptides targeting the bacterial sliding clamp
Journal of Medicinal Chemistry. 2021; 64(23): 17063-17078. https://doi.org/10.1021/acs.jmedchem.1c00918
DORA PSI

Mühlethaler T, Gioia D, Prota AE, Sharpe ME, Cavalli A, Steinmetz MO
Comprehensive analysis of binding sites in tubulin
Angewandte Chemie International Edition. 2021; 60(24): 13331-13342. https://doi.org/10.1002/anie.202100273
DORA PSI

Nasrallah C, Cannone G, Briot J, Rottier K, Berizzi AE, Huang CY, et al.
Agonists and allosteric modulators promote signaling from different metabotropic glutamate receptor 5 conformations
Cell Reports. 2021; 36(9): 109648 (19 pp.). https://doi.org/10.1016/j.celrep.2021.109648
DORA PSI

Nass K, Bacellar C, Cirelli C, Dworkowski F, Gevorkov Y, James D, et al.
Pink-beam serial femtosecond crystallography for accurate structure-factor determination at an X-ray free-electron laser
IUCrJ. 2021; 8: 905-920. https://doi.org/10.1107/S2052252521008046
DORA PSI

Ni X, Schröder M, Olieric V, Sharpe ME, Hernandez-Olmos V, Proschak E, et al.
Structural insights into plasticity and discovery of remdesivir metabolite GS-441524 binding in SARS-CoV-2 macrodomain
ACS Medicinal Chemistry Letters. 2021; 12(4): 603-609. https://doi.org/10.1021/acsmedchemlett.0c00684
DORA PSI

Olatunji S, Bowen K, Huang CY, Weichert D, Singh W, Tikhonova IG, et al.
Structural basis of the membrane intramolecular transacylase reaction responsible for lyso-form lipoprotein synthesis
Nature Communications. 2021; 12(1): 4254 (14 pp.). https://doi.org/10.1038/s41467-021-24475-0
DORA PSI

Palmerini V, Monzani S, Laurichesse Q, Loudhaief R, Mari S, Cecatiello V, et al.
Drosophila TNFRs Grindelwald and Wengen bind Eiger with different affinities and promote distinct cellular functions
Nature Communications. 2021; 12(1): 2070 (12 pp.). https://doi.org/10.1038/s41467-021-22080-9
DORA PSI

Polimeno L, Lerario G, De Giorgi M, De Marco L, Dominici L, Todisco F, et al.
Tuning of the Berry curvature in 2D perovskite polaritons
Nature Nanotechnology. 2021; 16: 1349-1354. https://doi.org/10.1038/s41565-021-00977-2
DORA PSI

Ramberg KO, Engilberge S, Skorek T, Crowley PB
Facile fabrication of protein-macrocycle frameworks
Journal of the American Chemical Society. 2021; 143(4): 1896-1907. https://doi.org/10.1021/jacs.0c10697
DORA PSI

Ramos J, Laux V, Haertlein M, Boeri Erba E, McAuley KE, Forsyth VT, et al.
Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme
IUCrJ. 2021; 8: 372-386. https://doi.org/10.1107/S2052252521001299
DORA PSI

Scott DE, Francis-Newton NJ, Marsh ME, Coyne AG, Fischer G, Moschetti T, et al.
A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death
Cell Chemical Biology. 2021; 28(6): 835-847.e5. https://doi.org/10.1016/j.chembiol.2021.02.006
DORA PSI

Sharpe ME, Wojdyla JA
Fragment-screening and automation at the Swiss Light Source macromolecular crystallography beamlines
Nihon Kessho Gakkaishi. 2021; 63(3): 232-235. https://doi.org/10.5940/jcrsj.63.232
DORA PSI

Sutanto F, Shaabani S, Oerlemans R, Eris D, Patil P, Hadian M, et al.
Combining high-throughput synthesis and high-throughput protein crystallography for accelerated hit identification
Angewandte Chemie International Edition. 2021; 60(33): 18231-18239. https://doi.org/10.1002/anie.202105584
DORA PSI

Toomey B, Han X, Dong CD, Edward V, Kaminski JW, Shankar S
Characterization of phases and orientations of micro-structured materials Using computational crystallography
In: Shankar S, Muller R, Dunning T, Chen GH, eds. Computational materials, chemistry, and biochemistry: from bold initiatives to the last mile. In honor of William A. Goddard’s contributions to science and engineering. Springer series in materials science. Cham: Springer Nature; 2021:213-231. https://doi.org/10.1007/978-3-030-18778-1_11
DORA PSI

de Wijn R, Rollet K, Olieric V, Hennig O, Thome N, Noûs C, et al.
Crystallization and structural determination of an enzyme: substrate complex by serial crystallography in a versatile microfluidic chip
Journal of Visualized Experiments. 2021; 2021(169): e61972 (15 pp.). https://doi.org/10.3791/61972
DORA PSI

Assmann GM, Wang M, Diederichs K
Making a difference in multi-data-set crystallography: simple and deterministic data-scaling/selection methods
Acta Crystallographica Section D: Structural Biology. 2020; 76: 636-652. https://doi.org/10.1107/S2059798320006348
DORA PSI

Beale JH
Macromolecular X-ray crystallography: soon to be a road less travelled?
Acta Crystallographica Section D: Structural Biology. 2020; 76(5): 400-405. https://doi.org/10.1107/S2059798320004660
DORA PSI

Bedi RK, Huang D, Wiedmer L, Li Y, Dolbois A, Wojdyla JA, et al.
Selectively disrupting m⁶A-dependent protein-RNA interactions with fragments
ACS Chemical Biology. 2020; 15(3): 618-625. https://doi.org/10.1021/acschembio.9b00894
DORA PSI

Bernstein HJ, Förster A, Bhowmick A, Brewster AS, Brockhauser S, Gelisio L, et al.
Gold standard for macromolecular crystallography diffraction data
IUCrJ. 2020; 7(5): 784-792. https://doi.org/10.1107/S2052252520008672
DORA PSI

Bu W, Levitskaya Z, Loh ZY, Jin S, Basu S, Ero R, et al.
Structural basis of human full-length kindlin-3 homotrimer in an auto-inhibited state
PLoS Biology. 2020; 18(7): e3000755 (24 pp.). https://doi.org/10.1371/journal.pbio.3000755
DORA PSI

Cheng R, Huang C-Y, Hennig M, Nar H, Schnapp G
In situ crystallography as an emerging method for structure solution of membrane proteins: the case of CCR2A
FEBS Journal. 2020; 287(5): 866-873. https://doi.org/10.1111/febs.15098
DORA PSI

Cinquino M, Polimeno L, Lerario G, De Giorgi M, Moliterni A, Olieric V, et al.
One-step synthesis at room temperature of low dimensional perovskite single crystals with high optical quality
Journal of Luminescence. 2020; 221: 117079 (8 pp.). https://doi.org/10.1016/j.jlumin.2020.117079
DORA PSI

Crack JC, Amara P, Volbeda A, Mouesca J-M, Rohac R, Pellicer Martinez MT, et al.
Electron and proton transfers modulate DNA binding by the transcription regulator RsrR
Journal of the American Chemical Society. 2020; 142(11): 5104-5116. https://doi.org/10.1021/jacs.9b12250
DORA PSI

Engilberge S, Wagner T, Carpentier P, Girard E, Shima S
Krypton-derivatization highlights O₂-channeling in a four-electron reducing oxidase
Chemical Communications. 2020; 56(74): 10863-10866. https://doi.org/10.1039/d0cc04557h
DORA PSI

Fadini A, Reiche S, Nass K, van Thor JJ
Applications and limits of time-to-energy mapping of protein crystal diffraction using energy-chirped polychromatic XFEL pulses
Applied Sciences. 2020; 10(7): 2599 (18 pp.). https://doi.org/10.3390/app10072599
DORA PSI

Gao X, Zhu K, Wojdyl JA, Chen P, Qin B, Li Z, et al.
Crystal structure of the NS3-like helicase from Alongshan virus
IUCrJ. 2020; 7(3): 375-382. https://doi.org/10.1107/S2052252520003632
DORA PSI

Görlich S, Samuel AJ, Best RJ, Seidel R, Vacelet J, Leonarski FK, et al.
Natural hybrid silica/protein superstructure at atomic resolution
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2020; 117(49): 31088-31093. https://doi.org/10.1073/pnas.2019140117
DORA PSI

Huang C-Y, Meier N, Caffrey M, Wang M, Olieric V
3D-printed holders for in meso in situ fixed-target serial X-ray crystallography
Journal of Applied Crystallography. 2020; 53: 854-859. https://doi.org/10.1107/S1600576720002897
DORA PSI

Huang C-Y, Olieric V, Caffrey M, Wang M
In meso in situ serial X-Ray crystallography (IMISX): a protocol for membrane protein structure determination at the Swiss Light Source
In: Perez C, Maier T, eds. Expression, purification, and structural biology of membrane proteins. Methods in molecular biology. New York: Humana; 2020:293-319. https://doi.org/10.1007/978-1-0716-0373-4_20
DORA PSI

Huwald D, Duda S, Gasper R, Olieric V, Hofmann E, Hemschemeier A
Distinctive structural properties of THB11, a pentacoordinate Chlamydomonas reinhardtii truncated hemoglobin with N- and C-terminal extensions
Journal of Biological Inorganic Chemistry. 2020; 25: 267-283. https://doi.org/10.1007/s00775-020-01759-2
DORA PSI

Karpik A, Martiel I, Kristiansen PM, Padeste C
Fabrication of ultrathin suspended polymer membranes as supports for serial protein crystallography
Micro and Nano Engineering. 2020; 7: 100053 (6 pp.). https://doi.org/10.1016/j.mne.2020.100053
DORA PSI

Leonarski F, Mozzanica A, Brückner M, Lopez-Cuenca C, Redford S, Sala L, et al.
JUNGFRAU detector for brighter x-ray sources: solutions for IT and data science challenges in macromolecular crystallography
Structural Dynamics. 2020; 7(1): 014305 (13 pp.). https://doi.org/10.1063/1.5143480
DORA PSI

Lučić M, Chaplin AK, Moreno-Chicano T, Dworkowski FSN, Wilson MT, Svistunenko DA, et al.
A subtle structural change in the distal haem pocket has a remarkable effect on tuning hydrogen peroxide reactivity in dye decolourising peroxidases from Streptomyces lividans
Dalton Transactions. 2020; 49(5): 1620-1636. https://doi.org/10.1039/c9dt04583j
DORA PSI

Lučić M, Svistunenko DA, Wilson MT, Chaplin AK, Davy B, Ebrahim A, et al.
Serial femtosecond zero dose crystallography captures a water-free distal heme site in a dye‐decolourising peroxidase to reveal a catalytic role for an arginine in Fe^IV=O formation
Angewandte Chemie International Edition. 2020; 59(48): 21656-21662. https://doi.org/10.1002/anie.202008622
DORA PSI

Martiel I, Huang C-Y, Villanueva-Perez P, Panepucci E, Basu S, Caffrey M, et al.
Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography
IUCrJ. 2020; 7(6): 1131-1141. https://doi.org/10.1107/S2052252520013238
DORA PSI

Martiel I, Buntschu D, Meier N, Gobbo A, Panepucci E, Schneider R, et al.
The TELL automatic sample changer for macromolecular crystallography
Journal of Synchrotron Radiation. 2020; 27: 860-863. https://doi.org/10.1107/S1600577520002416
DORA PSI

Martiel I, Mozzanica A, Opara NL, Panepucci E, Leonarski F, Redford S, et al.
X-ray fluorescence detection for serial macromolecular crystallography using a JUNGFRAU pixel detector
Journal of Synchrotron Radiation. 2020; 27: 329-339. https://doi.org/10.1107/S1600577519016758
DORA PSI

Moliterni A, Altamura D, Lassandro R, Olieric V, Ferri G, Cardarelli F, et al.
Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2020; B76: 427-435. https://doi.org/10.1107/S2052520620004424
DORA PSI

Nass K, Cheng R, Vera L, Mozzanica A, Redford S, Ozerov D, et al.
Advances in long-wavelength native phasing at X-ray free-electron lasers
IUCrJ. 2020; 7: 965-975. https://doi.org/10.1107/S2052252520011379
DORA PSI

Nass K, Redecke L, Perbandt M, Yefanov O, Klinge M, Koopmann R, et al.
In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of genuine co-factors
Nature Communications. 2020; 11(1): 620 (13 pp.). https://doi.org/10.1038/s41467-020-14484-w
DORA PSI

Nass K
Pixel modelling - a new age in SFX data analysis
IUCrJ. 2020; 7: 949-950. https://doi.org/10.1107/S2052252520014281
DORA PSI

Olatunji S, Yu X, Bailey J, Huang C-Y, Zapotoczna M, Bowen K, et al.
Structures of lipoprotein signal peptidase II from Staphylococcus aureus complexed with antibiotics globomycin and myxovirescin
Nature Communications. 2020; 11(1): 140 (11 pp.). https://doi.org/10.1038/s41467-019-13724-y
DORA PSI

Pfanzagl V, Beale JH, Michlits H, Schmidt D, Gabler T, Obinger C, et al.
X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner
Journal of Biological Chemistry. 2020; 295(39): 13488-13501. https://doi.org/10.1074/jbc.ra120.014087
DORA PSI

Prat E, Abela R, Aiba M, Alarcon A, Alex J, Arbelo Y, et al.
A compact and cost-effective hard X-ray free-electron laser driven by a high-brightness and low-energy electron beam
Nature Photonics. 2020; 14: 748-754. https://doi.org/10.1038/s41566-020-00712-8
DORA PSI

Skopintsev P, Ehrenberg D, Weinert T, James D, Kar RK, Johnson PJM, et al.
Femtosecond-to-millisecond structural changes in a light-driven sodium pump
Nature. 2020; 583: 314-318. https://doi.org/10.1038/s41586-020-2307-8
DORA PSI

Soman A, Liew CW, Teo HL, Berezhnoy NV, Olieric V, Korolev N, et al.
The human telomeric nucleosome displays distinct structural and dynamic properties
Nucleic Acids Research. 2020; 48(10): 5383-5396. https://doi.org/10.1093/nar/gkaa289
DORA PSI

Steib E, Laporte MH, Gambarotto D, Olieric N, Zheng C, Borgers S, et al.
WDR90 is a centriolar microtubule wall protein important for centriole architecture integrity
eLife. 2020; 9: e57205 (28 pp.). https://doi.org/10.7554/ELIFE.57205
DORA PSI

Tsujino S, Tomizaki T
Applications of acoustic levitation in chemical analysis and biochemistry
In: Zang D, ed. Acoustic levitation. From physics to applications. Singapore: Springer Nature; 2020:151-179. https://doi.org/10.1007/978-981-32-9065-5_9
DORA PSI

Tsujino S, Tomizaki T, Kepa MW
On-demand droplet loading of ultrasonic acoustic levitator with small droplets for protein crystallography application
In: Proceedings of the 2020 IEEE international ultrasonics symposium (IUS). IEEE symposium (IUS) ultrasonics. sine loco: IEEE; 2020:9251627 (3 pp.). https://doi.org/10.1109/IUS46767.2020.9251627
DORA PSI

Ye F, Wang C, Fu Q, Yan X-F, Bharath SR, Casanas A, et al.
Structural basis of a novel repressor, SghR, controlling Agrobacterium infection by cross-talking to plants
Journal of Biological Chemistry. 2020; 295(34): 12290-12304. https://doi.org/10.1074/jbc.RA120.012908
DORA PSI

Yu X, Gao X, Zhu K, Yin H, Mao X, Wojdyla JA, et al.
Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism
Communications Biology. 2020; 3(1): 216 (15 pp.). https://doi.org/10.1038/s42003-020-0941-1
DORA PSI

André C, Martiel I, Wolff P, Landolfo M, Lorber B, Silva da Veiga C, et al.
Interaction of a model peptide on gram negative and gram positive bacterial sliding clamps
ACS Infectious Diseases. 2019; 5: 1022-1034. https://doi.org/10.1021/acsinfecdis.9b00089
DORA PSI

Apel A-K, Cheng RKY, Tautermann CS, Brauchle M, Huang C-Y, Pautsch A, et al.
Crystal structure of CC chemokine receptor 2A in complex with an orthosteric antagonist provides insights for the design of selective antagonists
Structure. 2019; 27(3): 427-438.e5. https://doi.org/10.1016/j.str.2018.10.027
DORA PSI

Basu S, Kaminski JW, Panepucci E, Huang C-Y, Warshamanage R, Wang M, et al.
Automated data collection and real-time data analysis suite for serial synchrotron crystallography
Journal of Synchrotron Radiation. 2019; 26(1): 244-252. https://doi.org/10.1107/S1600577518016570
DORA PSI

Basu S, Olieric V, Leonarski F, Matsugaki N, Kawano Y, Takashi T, et al.
Long-wavelength native-SAD phasing: opportunities and challenges
IUCrJ. 2019; 6(3): 1-14. https://doi.org/10.1107/S2052252519002756
DORA PSI

Basu S, Finke A, Vera L, Wang M, Olieric V
Making routine native SAD a reality: lessons from beamline X06DA at the Swiss Light Source
Acta Crystallographica Section D: Structural Biology. 2019; 75(3): 262-271. https://doi.org/10.1107/S2059798319003103
DORA PSI

Casadei CM, Nass K, Barty A, Hunter MS, Padeste C, Tsai C-J, et al.
Structure-factor amplitude reconstruction from serial femtosecond crystallography of two-dimensional membrane-protein crystals
IUCrJ. 2019; 6: 34-45. https://doi.org/10.1107/S2052252518014641
DORA PSI

Galuskin EV, Krüger B, Galuskina IO, Krüger H, Vapnik Y, Pauluhn A, et al.
Levantite, KCa₃(Al₂Si₃)O₁₁(PO₄), a new latiumite group mineral from pyrometamorphic rock of the Hatrurim Basin, Negev Desert, Israel
Mineralogical Magazine. 2019; 83(5): 713-721. https://doi.org/10.1180/mgm.2019.37
DORA PSI

Jaeger K, Bruenle S, Weinert T, Guba W, Muehle J, Miyazaki T, et al.
Structural basis for allosteric ligand recognition in the human CC chemokine receptor 7
Cell. 2019; 178(5): 1222-1230. https://doi.org/10.1016/j.cell.2019.07.028
DORA PSI

Jensen SC, Sullivan B, Hartzler DA, Aguilar JM, Awel S, Bajt S, et al.
X-ray emission spectroscopy at X-ray free electron lasers: limits to observation of the classical spectroscopic response for electronic structure analysis
Journal of Physical Chemistry Letters. 2019; 10(3): 441-446. https://doi.org/10.1021/acs.jpclett.8b03595
DORA PSI

Kahlenberg V, Galuskina I, Krüger B, Pauluhn A, Galuskin E
Structural investigations on bredigite from the Hatrurim Complex
Mineralogy and Petrology. 2019; 113(2): 261-272. https://doi.org/10.1007/s00710-018-0646-z
DORA PSI

Kahlenberg V, Albrecht R, Schmidmair D, Krüger H, Krüger B, Tribus M, et al.
Structural studies on Ca₃Al₄MgO₁₀ (C₃A₂M) - a ternary phase in the system CaO-Al₂O₃-MgO
Journal of the American Ceramic Society. 2019; 102(4): 2084-2093. https://doi.org/10.1111/jace.16001
DORA PSI

Leonarski F, D’Ascenzo L, Auffinger P
Nucleobase carbonyl groups are poor Mg²⁺ inner-sphere binders but excellent monovalent ion binders - a critical PDB survey
RNA. 2019; 25(11): 173-192. https://doi.org/10.1261/rna.068437.118
DORA PSI

Li H, Huang C-Y, Govorunova EG, Schafer CT, Sineshchekov OA, Wang M, et al.
Crystal structure of a natural light-gated anion channelrhodopsin
eLife. 2019; 8: e41741 (21 pp.). https://doi.org/10.7554/eLife.41741
DORA PSI

Liu X, An T, Li D, Fan Z, Xiang P, Li C, et al.
Structure of the heterophilic interaction between the nectin-like 4 and nectin-like 1 molecules
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2019; 116(6): 2068-2077. https://doi.org/10.1073/pnas.1810969116
DORA PSI

Makita M, Vartiainen I, Mohacsi I, Caleman C, Diaz A, Jönsson HO, et al.
Femtosecond phase-transition in hard x-ray excited bismuth
Scientific Reports. 2019; 9(1): 602 (7 pp.). https://doi.org/10.1038/s41598-018-36216-3
DORA PSI

Martiel I, Müller-Werkmeister HM, Cohen AE
Strategies for sample delivery for femtosecond crystallography
Acta Crystallographica Section D: Structural Biology. 2019; 75(2): 160-177. https://doi.org/10.1107/S2059798318017953
DORA PSI

Meyer M, Walbott H, Oliéric V, Kondo J, Costa M, Masquida B
Conformational adaptation of UNCG loops upon crowding
RNA. 2019; 25(11): 1522-1531. https://doi.org/10.1261/rna.072694.119
DORA PSI

Nass K
Radiation damage in protein crystallography at X-ray free-electron lasers
Acta Crystallographica Section D: Structural Biology. 2019; 75(2): 211-218. https://doi.org/10.1107/S2059798319000317
DORA PSI

Tomizaki T, Shinoda A, Tsujino S
Single crystal time-lapse measurement using ultrasonic acoustic levitation
In: Gwo S, Huang D-J, Wei D-H, eds. Proceedings of the 13th international conference on synchrotron radiation instrumentation – SRI2018. Vol. 2054. AIP conference proceedings. Melville, New York: AIP Publishing; 2019:060072 (4 pp.). https://doi.org/10.1063/1.5084703
DORA PSI

Tsujino S, Shinoda A, Tomizaki T
On-demand droplet loading of ultrasonic acoustic levitator and its application for protein crystallography experiments
Applied Physics Letters. 2019; 114(21): 213702 (5 pp.). https://doi.org/10.1063/1.5095574
DORA PSI

Tsujino S, Sato Y, Takeda Y, Tomizaki T
Oscillation resonances and anisotropic damping of the motion of acoustically levitated droplets in single-axis acoustic levitators
Applied Physics Letters. 2019; 115: 053702 (5 pp.). https://doi.org/10.1063/1.5112109
DORA PSI

Ung KL, Alsarraf HMAB, Olieric V, Kremer L, Blaise M
Crystal structure of the aminoglycosides N‐acetyltransferase Eis2 from Mycobacterium abscessus
FEBS Journal. 2019; 286(21): 4342-4355. https://doi.org/10.1111/febs.14975
DORA PSI

Wang W, Yu L-J, Xu C, Tomizaki T, Zhao S, Umena Y, et al.
Structural basis for blue-green light harvesting and energy dissipation in diatoms
Science. 2019; 363(6427): eaav0365 (8 pp.). https://doi.org/10.1126/science.aav0365
DORA PSI

Wang N, Bosc C, Ryul Choi S, Boulan B, Peris L, Olieric N, et al.
Structural basis of tubulin detyrosination by the vasohibin–SVBP enzyme complex
Nature Structural and Molecular Biology. 2019; 26(7): 571-582. https://doi.org/10.1038/s41594-019-0241-y
DORA PSI

Weinert T, Skopintsev P, James D, Dworkowski F, Panepucci E, Kekilli D, et al.
Proton uptake mechanism in bacteriorhodopsin captured by serial synchrotron crystallography
Science. 2019; 365(6448): 61-65. https://doi.org/10.1126/science.aaw8634
DORA PSI

de Wijn R, Hennig O, Roche J, Engilberge S, Rollet K, Fernandez-Millan P, et al.
A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography
IUCrJ. 2019; 6(3): 454-464. https://doi.org/10.1107/S2052252519003622
DORA PSI

Aher A, Kok M, Sharma A, Rai A, Olieric N, Rodriguez-Garcia R, et al.
CLASP suppresses microtubule catastrophes through a single TOG domain
Developmental Cell. 2018; 46(1): 40-58.e8. https://doi.org/10.1016/j.devcel.2018.05.032
DORA PSI

El Ghachi M, Howe N, Huang C-Y, Olieric V, Warshamanage R, Touzé T, et al.
Crystal structure of undecaprenyl-pyrophosphate phosphatase and its role in peptidoglycan biosynthesis
Nature Communications. 2018; 9(1): 1078 (13 pp.). https://doi.org/10.1038/s41467-018-03477-5
DORA PSI

Galuskin EV, Krüger B, Galuskina IO, Krüger H, Vapnik Y, Wojdyla JA, et al.
New mineral with modular structure derived from hatruritefrom the pyrometamorphic rocks of the hatrurim complex: ariegilatite, BaCa₁₂(SiO₄)₄(PO₄)₂F₂O, from Negev Desert, Israel
Minerals. 2018; 8(3): 109 (14 pp.). https://doi.org/10.3390/min8030109
DORA PSI

Galuskin EV, Krüger B, Galuskina IO, Krüger H, Vapnik Y, Pauluhn A, et al.
Stracherite, BaCa₆(SiO₄)₂[(PO₄)(CO₃)]F, the first CO₃-bearing intercalated hexagonal antiperovskite from Negev Desert, Israel
American Mineralogist. 2018; 103(10): 1699-1706. https://doi.org/10.2138/am-2018-6493
DORA PSI

Gao X, Mu Z, Yu X, Qin B, Wojdyla J, Wang M, et al.
Structural insight into conformational changes induced by ATP binding in a type III secretion-associated ATPase from Shigella flexneri
Frontiers in Microbiology. 2018; 9: 1468 (15 pp.). https://doi.org/10.3389/fmicb.2018.01468
DORA PSI

Horrell S, Kekilli D, Sen K, Owen RL, Dworkowski FSN, Antonyuk SV, et al.
Enzyme catalysis captured using multiple structures from one crystal at varying temperatures
IUCrJ. 2018; 5(3): 283-292. https://doi.org/10.1107/S205225251800386X
DORA PSI

Huang C-Y, Olieric V, Howe N, Warshamanage R, Weinert T, Panepucci E, et al.
In situ serial crystallography for rapid de novo membrane protein structure determination.
Communications Biology. 2018; 1: 124 (8 pp.). https://doi.org/10.1038/S42003-018-0123-6
DORA PSI

Juroszek R, Krüger H, Galuskina I, Krüger B, Jeżak L, Ternes B, et al.
Sharyginite, Ca₃TiFe₂O₈a new mineral from the Bellerberg volcano, Germany
Minerals. 2018; 8(7): 308. https://doi.org/10.3390/min8070308
DORA PSI

Krüger B, Krüger H, Galuskin EV, Galuskina IO, Vapnik Y, Olieric V, et al.
Aravaite, Ba₂Ca₁₈(SiO₄)₆(PO₄)₃(CO₃)F₃O: modular structure and disorder of a new mineral with single and triple antiperovskite layers
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2018; 74(6): 492-501. https://doi.org/10.1107/S2052520618012271
DORA PSI

Küssau T, Flipo M, Van Wyk N, Viljoen A, Olieric V, Kremer L, et al.
Structural rearrangements occurring upon cofactor binding in the Mycobacterium smegmatis β-ketoacyl-acyl carrier protein reductase MabA
Acta Crystallographica Section D: Structural Biology. 2018; D74(Part 5): 383-393. https://doi.org/10.1107/S2059798318002917
DORA PSI

Lebugle M, Dworkowski F, Pauluhn A, Guzenko VA, Romano L, Meier N, et al.
High-intensity x-ray microbeam for macromolecular crystallography using silicon kinoform diffractive lenses
Applied Optics. 2018; 57(30): 9032-9039. https://doi.org/10.1364/AO.57.009032
DORA PSI

Leonarski F, Redford S, Mozzanica A, Lopez-Cuenca C, Panepucci E, Nass K, et al.
Fast and accurate data collection for macromolecular crystallography using the JUNGFRAU detector
Nature Methods. 2018; 15(10): 799-804. https://doi.org/10.1038/s41592-018-0143-7
DORA PSI

Martiel I, Olieric V, Caffrey M, Wang M
Practical approaches for in situ X-ray crystallography: from high-throughput screening to serial data collection
In: Beis K, Evans G, eds. Protein crystallography: challenges and practical solutions. Chemical biology. Cambridge: Royal Society of Chemistry; 2018:1-27. https://doi.org/10.1039/9781788010504-00001
DORA PSI

Mozzanica A, Andrä M, Barten R, Bergamaschi A, Chiriotti S, Brückner M, et al.
The JUNGFRAU detector for applications at synchrotron light sources and XFELs
Synchrotron Radiation News. 2018; 31(6): 16-20. https://doi.org/10.1080/08940886.2018.1528429
DORA PSI

Nogly P, Weinert T, James D, Carbajo S, Ozerov D, Furrer A, et al.
Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser
Science. 2018; 361(6398): eaat0094 (7 pp.). https://doi.org/10.1126/science.aat0094
DORA PSI

Nuti E, Cuffaro D, Bernardini E, Camodeca C, Panelli L, Chaves S, et al.
Development of thioaryl-based matrix metalloproteinase-12 inhibitors with alternative zinc-binding groups: synthesis, potentiometric, NMR, and crystallographic studies
Journal of Medicinal Chemistry. 2018; 61(10): 4421-4435. https://doi.org/10.1021/acs.jmedchem.8b00096
DORA PSI

Opara NL, Mohacsi I, Makita M, Castano-Diez D, Diaz A, Juranić P, et al.
Demonstration of femtosecond X-ray pump X-ray probe diffraction on protein crystals
Structural Dynamics. 2018; 5(5): 054303 (15 pp.). https://doi.org/10.1063/1.5050618
DORA PSI

Pande K, Donatelli JJ, Malmerberg E, Foucar L, Poon BK, Sutter M, et al.
Free-electron laser data for multiple-particle fluctuation scattering analysis
Scientific Data. 2018; 5: 180201. https://doi.org/10.1038/sdata.2018.201
DORA PSI

Redford S, Andrä M, Barten R, Bergamaschi A, Brückner M, Chiriotti S, et al.
Operation and performance of the JUNGFRAU photon detector during first FEL and synchrotron experiments
Journal of Instrumentation. 2018; 13(11): C11006 (9 pp.). https://doi.org/10.1088/1748-0221/13/11/C11006
DORA PSI

Scietti L, Chiapparino A, De Giorgi F, Fumagalli M, Khoriauli L, Nergadze S, et al.
Molecular architecture of the multifunctional collagen lysyl hydroxylase and glycosyltransferase LH3
Nature Communications. 2018; 9(1): 3163 (11 pp.). https://doi.org/10.1038/s41467-018-05631-5
DORA PSI

Sommer R, Makshakova ON, Wohlschlager T, Hutin S, Marsh M, Titz A, et al.
Crystal structures of fungal tectonin in complex with O-methylated glycans suggest key role in innate immune defense
Structure. 2018; 26(3): 391-402. https://doi.org/10.1016/j.str.2018.01.003
DORA PSI

Vasiliauskaité-Brooks I, Healey RD, Rochaix P, Saint-Paul J, Sounier R, Grison C, et al.
Structure of a human intramembrane ceramidase explains enzymatic dysfunction found in leukodystrophy
Nature Communications. 2018; 9(1): 5437 (13 pp.). https://doi.org/10.1038/s41467-018-07864-w
DORA PSI

Wang W, Qin B, Wojdyla JA, Wang M, Gao X, Cui S
Structural characterization of free-state and product-state Mycobacterium tuberculosis methionyl-tRNA synthetase reveals an induced-fit ligand-recognition mechanism
IUCrJ. 2018; 5: 478-490. https://doi.org/10.1107/S2052252518008217
DORA PSI

Wojdyla JA, Kaminski JW, Panepucci E, Ebner S, Wang X, Gabadinho J, et al.
DA+ data acquisition and analysis software at the Swiss Light Source macromolecular crystallography beamlines
Journal of Synchrotron Radiation. 2018; 25(1): 293-303. https://doi.org/10.1107/S1600577517014503
DORA PSI

Yin W, Zhou XE, Yang D, de Waal PW, Wang M, Dai A, et al.
Crystal structure of the human 5-HT_1B serotonin receptor bound to an inverse agonist
Cell Discovery. 2018; 4: 12 (13 pp.). https://doi.org/10.1038/s41421-018-0009-2
DORA PSI

Zabara A, Chong JTY, Martiel I, Stark L, Cromer BA, Speziale C, et al.
Design of ultra-swollen lipidic mesophases for the crystallization of membrane proteins with large extracellular domains
Nature Communications. 2018; 9(1): 544. https://doi.org/10.1038/s41467-018-02996-5
DORA PSI

Ciolek J, Reinfrank H, Quinton L, Viengchareun S, Stura EA, Vera L, et al.
Green mamba peptide targets type-2 vasopressin receptor against polycystic kidney disease
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2017; 114(27): 7154-7159. https://doi.org/10.1073/pnas.1620454114
DORA PSI

Diederichs K, Wang M
Serial synchrotron X-ray crystallography (SSX)
In: Wlodawer A, Dauter Z, Jaskolski M, eds. Protein crystallography. Methods and protocols. Methods in molecular biology. New York: Humana Press; 2017:239-272. https://doi.org/10.1007/978-1-4939-7000-1_10
DORA PSI

Gati C, Oberthuer D, Yefanov O, Bunker RD, Stellato F, Chiu E, et al.
Atomic structure of granulin determined from native nanocrystalline granulovirus using an X-ray free-electron laser
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2017; 114(9): 2247-2252. https://doi.org/10.1073/pnas.1609243114
DORA PSI

Guan H, Tian J, Qin B, Wojdyla JA, Wang B, Zhao Z, et al.
Crystal structure of 2C helicase from enterovirus 71
Science Advances. 2017; 3(4): e1602573 (9 pp.). https://doi.org/10.1126/sciadv.1602573
DORA PSI

Hao W, Wojdyla JA, Zhao R, Han R, Das R, Zlatev I, et al.
Crystal structure of Middle East respiratory syndrome coronavirus helicase
PLoS Pathogens. 2017; 13(6): e1006474 (19 pp.). https://doi.org/10.1371/journal.ppat.1006474
DORA PSI

Ishchenko A, Wacker D, Kapoor M, Zhang A, Han GW, Basu S, et al.
Structural insights into the extracellular recognition of the human serotonin 2B receptor by an antibody
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2017; 114(31): 8223-8228. https://doi.org/10.1073/pnas.1700891114
DORA PSI

Kekilli D, Petersen CA, Pixton DA, Ghafoor DD, Abdullah GH, Dworkowski FSN, et al.
Engineering proximal vs. distal heme-NO coordination via dinitrosyl dynamics: implications for NO sensor design
Chemical Science. 2017; 8(3): 1986-1994. https://doi.org/10.1039/c6sc04190f
DORA PSI

Kekilli D, Moreno-Chicano T, Chaplin AK, Horrell S, Dworkowski FSN, Worrall JAR, et al.
Photoreduction and validation of haem-ligand intermediate states in protein crystals by in situ single-crystal spectroscopy and diffraction
IUCrJ. 2017; 4: 263-270. https://doi.org/10.1107/S2052252517002159
DORA PSI

Kenel C, Grolimund D, Li X, Panepucci E, Samson VA, Ferreira Sanchez D, et al.
In situ investigation of phase transformations in Ti-6Al-4V under additive manufacturing conditions combining laser melting and high-speed micro-X-ray diffraction
Scientific Reports. 2017; 7: 16358 (10 pp.). https://doi.org/10.1038/s41598-017-16760-0
DORA PSI

Milne CJ, Schietinger T, Aiba M, Alarcon A, Alex J, Anghel A, et al.
SwissFEL: the Swiss X-ray free electron laser
Applied Sciences. 2017; 7(7): 720 (57 pp.). https://doi.org/10.3390/app7070720
DORA PSI

Nöll A, Thomas C, Herbring V, Zollmann T, Barth K, Mehdipour AR, et al.
Crystal structure and mechanistic basis of a functional homolog of the antigen transporter TAP
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2017; 114(4): E438-E447. https://doi.org/10.1073/pnas.1620009114
DORA PSI

Opara N, Martiel I, Arnold SA, Braun T, Stahlberg H, Makita M, et al.
Direct protein crystallization on ultrathin membranes for diffraction measurements at X-ray free-electron lasers
Journal of Applied Crystallography. 2017; 50(3): 909-918. https://doi.org/10.1107/S1600576717005799
DORA PSI

Ou X, Guan H, Qin B, Mu Z, Wojdyla JA, Wang M, et al.
Crystal structure of the receptor binding domain of the spike glycoprotein of human betacoronavirus HKU1
Nature Communications. 2017; 8: 15216 (10 pp.). https://doi.org/10.1038/ncomms15216
DORA PSI

Peng G, McEwen AG, Olieric V, Schmitt C, Albrecht S, Cavarelli J, et al.
Insight into the remarkable affinity and selectivity of the aminobenzosuberone scaffold for the M1 aminopeptidases family based on structure analysis
Proteins. 2017; 85(8): 1413-1421. https://doi.org/10.1002/prot.25301
DORA PSI

Vercellino I, Rezabkova L, Olieric V, Polyhach Y, Weinert T, Kammerer RA, et al.
Role of the nucleotidyl cyclase helical domain in catalytically active dimer formation
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2017; 114(46): E9821-E9828. https://doi.org/10.1073/pnas.1712621114
DORA PSI

Weinert T, Olieric N, Cheng R, Brünle S, James D, Ozerov D, et al.
Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons
Nature Communications. 2017; 8(1): 542 (11 pp.). https://doi.org/10.1038/s41467-017-00630-4
DORA PSI

Wiktor M, Weichert D, Howe N, Huang C-Y, Olieric V, Boland C, et al.
Structural insights into the mechanism of the membrane integral N-acyltransferase step in bacterial lipoprotein synthesis
Nature Communications. 2017; 8: 15952 (13 pp.). https://doi.org/10.1038/ncomms15952
DORA PSI

Bheemireddy SR, Ubaldo PC, Finke AD, Wang L, Plunkett KN
Contorted aromatics via a palladium-catalyzed cyclopentannulation strategy
Journal of Materials Chemistry C. 2016; 4(18): 3963-3969. https://doi.org/10.1039/c5tc02305j
DORA PSI

Bianchi S, van Riel WE, Kraatz SHW, Olieric N, Frey D, Katrukha EA, et al.
Structural basis for misregulation of kinesin KIF21A autoinhibition by CFEOM1 disease mutations
Scientific Reports. 2016; 6: 30668 (16 pp.). https://doi.org/10.1038/srep30668
DORA PSI

Casanas A, Warshamanage R, Finke AD, Panepucci E, Olieric V, Nöll A, et al.
EIGER detector: application in macromolecular crystallography
Acta Crystallographica Section D: Structural Biology. 2016; 72(9): 1036-1048. https://doi.org/10.1107/S2059798316012304
DORA PSI

Chatterjee A, Mallin H, Klehr J, Vallapurackal J, Finke AD, Vera L, et al.
An enantioselective artificial Suzukiase based on the biotin-streptavidin technology
Chemical Science. 2016; 7(1): 673-677. https://doi.org/10.1039/c5sc03116h
DORA PSI

Finke AD, Panepucci E, Vonrhein C, Wang M, Bricogne G, Oliéric V
Advanced crystallographic data collection protocols for experimental phasing
In: Ennifar E, ed. Nucleic acid crystallography. Methods and protocols. Methods in molecular biology. New York: Humana Press; 2016:175-191. https://doi.org/10.1007%2F978-1-4939-2763-0_11
DORA PSI

Finke AD, Gray DL, Moore JS
Crystal structures of three complexes of zinc chloride with tri-tert-butylphosphane
Acta Crystallographica Section E: Crystallographic Communications. 2016; 72: 35-39. https://doi.org/10.1107/S2056989015023373
DORA PSI

Howard EI, Guillot B, Blakeley MP, Haertlein M, Moulin M, Mitschler A, et al.
High-resolution neutron and X-ray diffraction room-temperature studies of an H-FABP-oleic acid complex: study of the internal water cluster and ligand binding by a transferred multipolar electron-density distribution
IUCrJ. 2016; 3: 115-126. https://doi.org/10.1107/S2052252515024161
DORA PSI

Huang C-Y, Olieric V, Ma P, Howe N, Vogeley L, Liu X, et al.
In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures
Acta Crystallographica Section D: Structural Biology. 2016; 72(1): 93-112. https://doi.org/10.1107/S2059798315021683
DORA PSI

Jaeger K, Dworkowski F, Nogly P, Milne C, Wang M, Standfuss J
Serial millisecond crystallography of membrane proteins
In: Moraes I, ed. The next generation in membrane protein structure determination. Advances in experimental medicine and biology. Cham: Springer; 2016:137-149. https://doi.org/10.1007/978-3-319-35072-1_10
DORA PSI

Klein A, Wojdyla JA, Joshi A, Josts I, McCaughey LC, Housden NG, et al.
Structural and biophysical analysis of nuclease protein antibiotics
Biochemical Journal. 2016; 473(18): 2799-2812. https://doi.org/10.1042/BCJ20160544
DORA PSI

Lampart S, Roch LM, Dutta AK, Wang Y, Warshamanage R, Finke AD, et al.
Pentaindenocorannulene: properties, assemblies, and C₆₀ complex
Angewandte Chemie International Edition. 2016; 55(47): 14648-14652. https://doi.org/10.1002/anie.201608337
DORA PSI

Li Y-Y, Liu P-F, Lin H, Wang M-T, Chen L
The effect of indium substitution on the structure and NLO properties of Ba₆Cs₂Ga₁₀Se₂₀Cl₄
Inorganic Chemistry Frontiers. 2016; 3(7): 952-958. https://doi.org/10.1039/c6qi00104a
DORA PSI

Marsh ME, Scott DE, Ehebauer MT, Abell C, Blundell TL, Hyvönen M
ATP half-sites in RadA and RAD51 recombinases bind nucleotides
FEBS Open Bio. 2016; 6(5): 372-385. https://doi.org/10.1002/2211-5463.12052
DORA PSI

Moschetti T, Sharpe T, Fischer G, Marsh ME, Ng HK, Morgan M, et al.
Engineering archeal surrogate systems for the development of protein-protein interaction inhibitors against human RAD51
Journal of Molecular Biology. 2016; 428(23): 4589-4607. https://doi.org/10.1016/j.jmb.2016.10.009
DORA PSI

Olieric V, Weinert T, Finke AD, Anders C, Li D, Olieric N, et al.
Data-collection strategy for challenging native SAD phasing
Acta Crystallographica Section D: Structural Biology. 2016; 72(3): 421-429. https://doi.org/10.1107/S2059798315024110
DORA PSI

Orts J, Wälti MA, Marsh M, Vera L, Gossert AD, Güntert P, et al.
NMR-based determination of the 3D structure of the ligand-protein interaction site without protein resonance assignment
Journal of the American Chemical Society. 2016; 138(13): 4393-4400. https://doi.org/10.1021/jacs.5b12391
DORA PSI

Pauluhn A, Huber MCE, Smith PL, Colina L
Spectroradiometry with space telescopes
Astronomy and Astrophysics Review. 2016; 24(1): 3 (74 pp.). https://doi.org/10.1007/s00159-015-0086-2
DORA PSI

Sagalowicz L, Moccand C, Davidek T, Ghanbari R, Martiel I, Negrini R, et al.
Lipid self-assembled structures for reactivity control in food
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences. 2016; 374(2072): 20150136 (21 pp.). https://doi.org/10.1098/rsta.2015.0136
DORA PSI

Schaffer MF, Peng G, Spingler B, Schnabl J, Wang M, Olieric V, et al.
The x-ray structures of six octameric RNA duplexes in the presence of different di- and trivalent cations
International Journal of Molecular Sciences. 2016; 17(7): 988 (17 pp.). https://doi.org/10.3390/ijms17070988
DORA PSI

Scott DE, Marsh M, Blundell TL, Abell C, Hyvönen M
Structure-activity relationship of the peptide binding-motif mediating the BRCA2:RAD51 protein-protein interaction
FEBS Letters. 2016; 590(8): 1094-1102. https://doi.org/10.1002/1873-3468.12139
DORA PSI

Sumy DP, Finke AD, Whalley AC
The reductive aromatization of tridecacyclene
Chemical Communications. 2016; 52(83): 12368-12371. https://doi.org/10.1039/c6cc06078a
DORA PSI

Sumy DP, Dodge NJ, Harrison CM, Finke AD, Whalley AC
Tridecacyclene: a cyclic tetramer of acenaphthylene
Chemistry: A European Journal. 2016; 22(14): 4709-4712. https://doi.org/10.1002/chem.201600165
DORA PSI

Tong S, Lin Y, Lu S, Wang M, Bogdanov M, Zheng L
Structural insight into substrate selection and catalysis of lipid phosphate phosphatase PgpB in the cell membrane
Journal of Biological Chemistry. 2016; 291(35): 18342-18352. https://doi.org/10.1074/jbc.M116.737874
DORA PSI

Tsujino S, Tomizaki T
Ultrasonic acoustic levitation for fast frame rate X-ray protein crystallography at room temperature
Scientific Reports. 2016; 6: 25558 (9 pp.). https://doi.org/10.1038/srep25558
DORA PSI

Wojdyla JA, Panepucci E, Martiel I, Ebner S, Huang C-Y, Caffrey M, et al.
Fast two-dimensional grid and transmission X-ray microscopy scanning methods for visualizing and characterizing protein crystals
Journal of Applied Crystallography. 2016; 49: 944-952. https://doi.org/10.1107/S1600576716006233
DORA PSI

Zhou XE, Gao X, Barty A, Kang Y, He Y, Liu W, et al.
X-ray laser diffraction for structure determination of the rhodopsin-arrestin complex
Scientific Data. 2016; 3: 160021 (13 pp.). https://doi.org/10.1038/sdata.2016.21
DORA PSI

Bheemireddy SR, Ubaldo PC, Rose PW, Finke AD, Zhuang J, Wang L, et al.
Stabilizing pentacene by cyclopentannulation
Angewandte Chemie International Edition. 2015; 54(52): 15762-15766. https://doi.org/10.1002/anie.201508650
DORA PSI