Publikationen

Nass Kovacs, G.: Potential of X-ray free-electron lasers for challenging targets in structure-based drug discovery. Drug Discovery Today: Technologies 39, S. 101 - 110 (2021)

Hackl, T.; Duponchel, S.; Barenhoff, K.; Weinmann, A.; Fischer, M. G.: Virophages and retrotransposons colonize the genomes of a heterotrophic flagellate. eLife 10, e72674, S. 1 - 20 (2021)

Schmitz, R. A.; Picone, N.; Singer, H.; Dietl, A.; Seifert, K.-A.; Pol, A.; Jetten, M. S. M.; Barends, T. R. M.; Daumann, L. J.; Op den Camp, H. J. M.: Neodymium as metal cofactor for biological methanol oxidation: structure and kinetics of an XoxF1-Type methanol dehydrogenase. mBio 12 (5), e0170821, S. 1 - 14 (2021)

Chicano, T. M.; Dietrich, L.; de Almeida, N. M.; Akram, M.; Hartmann, E.; Leidreiter, F.; Leopoldus, D.; Müller, M.; Sanchez, R. M.; Nuijten, G. H. L. et al.; Reimann, J.; Seifert, K.-A.; Schlichting, I.; van Niftrik, L.; Jetten, M. S. M.; Dietl, A.; Kartal, B.; Parey, K.; Barends, T. R. M.: Structural and functional characterization of the intracellular filament-forming nitrite oxidoreductase multiprotein complex. Nature Microbiology 6 (9), S. 1129 - 1139 (2021)

Akram, M.; Bock, J.; Dietl, A.; Barends, T. R.M.: Specificity of small c-type cytochromes in anaerobic ammonium oxidation. ACS Omega 6 (33), S. 21457 - 21464 (2021)

Wilhelm, J.; Kühn, S.; Tarnawski, M.; Gotthard, G.; Tünnermann, J.; Tänzer, T.; Karpenko, J.; Mertes, N.; Xue, L.; Uhrig, U. et al.; Reinstein, J.; Hiblot, J.; Johnsson, K.: Kinetic and structural characterization of the self-labeling protein tags HaloTag7, SNAP-tag, and CLIP-tag. Biochemistry 60 (33), S. 2560 - 2575 (2021)

Giannos, T.; Lešnik, S.; Bren, U.; Hodošček, M.; Domratcheva, T.; Bondar, A.-N.: CHARMM force-field parameters for morphine, heroin, and oliceridine, and conformational dynamics of opioid drugs. Journal of Chemical Information and Modeling 61 (8), S. 3964 - 3977 (2021)

Grigorenko, B. L.; Domratcheva, T.; Polyakov, I. V.; Nemukhin, A. V.: Protonation states of molecular groups in the chromophore-binding site modulate properties of the reversibly switchable fluorescent protein rsEGFP2. The Journal of Physical Chemistry Letters 12, S. 8263 - 8271 (2021)

Sheberstov, K. F.; Kozinenko, V. P.; Kiryutin, A. S.; Vieth, H.-M.; Zimmermann, H.; Ivanov, K. L.; Yurkovskaya, A. V.: Hyperpolarization of cis-15N,15N'-azobenzene by parahydrogen at ultralow magnetic fields. ChemPhysChem 22 (14), S. 1527 - 1534 (2021)

Stanišić, A.; Hüsken, A.; Stephan, P.; Niquille, D. L.; Reinstein, J.; Kries, H.: Engineered nonribosomal peptide synthetase shows opposite amino acid loading and condensation specificity. ACS Catalysis 11 (14), S. 8692 - 8700 (2021)

Gorel, A.; Schlichting, I.; Barends, T. R. M.: Discerning best practices in XFEL-based biological crystallography – standards for nonstandard experiments. IUCrJ 8 (4), S. 532 - 543 (2021)

Sorigué, D.; Hadjidemetriou, K.; Blangy, S.; Gotthard, G.; Bonvalet, A.; Coquelle, N.; Samire, P.; Aleksandrov, A.; Antonucci, L.; Benachir, A. et al.; Boutet, S.; Byrdin, M.; Cammarata, M.; Carbajo, S.; Cuiné, S.; Doak, R. B.; Foucar, L.; Gorel, A.; Grünbein, M.; Hartmann, E.; Hienerwadel, R.; Hilpert, M.; Kloos, M.; Lane, T. J.; Légeret, B.; Legrand, P.; Li-Beisson, Y.; Moulin, S. L. Y.; Nurizzo, D.; Peltier, G.; Schirò, G.; Shoeman, R. L.; Sliwa, M.; Solinas, X.; Zhuang, B.; Barends, T. R. M.; Colletier, J.-P.; Joffre, M.; Royant, A.; Berthomieu, C.; Weik, M.; Domratcheva, T.; Brettel, K.; Vos, M. H.; Schlichting, I.; Arnoux, P.; Müller, P.; Beisson, F.: Mechanism and dynamics of fatty acid photodecarboxylase. Science 372 (6538), eabd5687, S. 1 - 13 (2021)

Akram, M.; Dietl, A.; Müller, M.; Barends, T. R. M.: Purification of the key enzyme complexes of the anammox pathway from DEMON sludge. Biopolymers 112 (6), e23428, S. 1 - 11 (2021)

Christiansen, A.; Weiel, M.; Winkler, A.; Schug, A.; Reinstein, J.: The trimeric major capsid protein of mavirus is stabilized by its interlocked N-termini enabling core flexibility for capsid assembly. Journal of Molecular Biology 433 (7), 166859, S. 1 - 15 (2021)

Grünbein, M. L.; Gorel, A.; Foucar, L.; Carbajo, S.; Colocho, W.; Gilevich, S.; Hartmann, E.; Hilpert, M.; Hunter, M.; Kloos, M. et al.; Koglin, J. E.; Lane, T. J.; Lewandowski, J.; Lutman, A.; Nass, K.; Nass Kovács, G.; Roome, C. M.; Sheppard, J.; Shoeman, R. L.; Stricker, M.; van Driel, T.; Vetter, S.; Doak, R. B.; Boutet, S.; Aquila, A.; Decker, F. J.; Barends, T. R. M.; Stan, C. A.; Schlichting, I.: Effect of X-ray free-electron laser-induced shockwaves on haemoglobin microcrystals delivered in a liquid jet. Nature Communications 12 (1), 1672, S. 1 - 11 (2021)

Mroginski, M.-A.; Adam, S.; Amoyal, G. S.; Barnoy, A.; Bondar, A.-N.; Borin, V. A.; Church, J. R.; Domratcheva, T.; Ensing, B.; Fanelli, F. et al.; Ferré, N.; Filiba, O.; Pedraza-González, L.; González, R.; González-Espinoza, C. E.; Kar, R. K.; Kemmler, L.; Kim, S. S.; Kongsted, J.; Krylov, A. I.; Lahav, Y.; Lazaratos, M.; NasserEddin, Q.; Navizet, I.; Nemukhin, A.; Olivucci, M.; Olsen, J. M. H.; de Ortíz, A. P. A.; Pieri, E.; Rao, A. G.; Rhee, Y. M.; Ricardi, N.; Sen, S.; Solov'yov, I. A.; Vico, L. D.; Wesolowski, T. A.; Wiebeler, C.; Yang, X.; Schapiro, I.: Frontiers in multiscale modeling of photoreceptor proteins. Photochemistry and Photobiology 97 (2), S. 243 - 269 (2021)

Grünbein, M. L.; Foucar, L.; Gorel, A.; Hilpert, M.; Kloos, M.; Nass, K.; Nass Kovacs, G.; Roome, C. M.; Shoeman, R. L.; Stricker, M. et al.; Carbajo, S.; Colocho, W.; Gilevich, S.; Hunter, M.; Lewandowski, J.; Lutman, A.; Koglin, J. E.; Lane, T. J.; van Driel, T.; Sheppard, J.; Vetter, S. L.; Turner, J. L.; Doak, R. B.; Barends, T. R. M.; Boutet, S.; Aquila, A. L.; Decker, F.-J.; Schlichting, I.; Stan, C. A.: Observation of shock-induced protein crystal damage during megahertz serial femtosecond crystallography. Physical Review Research 3, 013046 , S. 1 - 16 (2021)

De Zitter, E.; Coquelle, N.; Barends, T.; Colletier, J.-P.: Interactive GUI for the calculation of Fobs-Fobs electron density difference maps and extrapolated structure factors based on the cctbx toolbox. Acta Crystallographica Section A: Foundations and Advances 77, MS-92-6, S. C586 - C586 (2021)

Kaniusaite, M.; Tailhades, J.; Kittilä, T.; Fage, C. D.; A., R. J.; Goode; Schittenhelm, R. B.; Cryle, M. J.: Understanding the early stages of peptide formation during the biosynthesis of teicoplanin and related glycopeptide antibiotics. The FEBS Journal 288 (2), S. 507 - 529 (2021)

Massana, R.; Labarre, A.; López-Escardó, D.; Obiol, A.; Bucchini, F.; Hackl, T.; Fischer, M.; Vandepoele, K.; Tikhonenkov, D. V.; Husnik, F. et al.; Keeling, P. J.: Gene expression during bacterivorous growth of a widespread marine heterotrophic flagellate. The ISME Journal 15 (1), S. 154 - 167 (2021)