Gregor Hagelueken's Publications

Our latest publications can always be found on Google Scholar.


M.F. Peter, J.A. Ruland, P. Depping, N. Schneberger, E. Severi, J. Moecking, K. Gatterdam, S. Tindall, A. Durand, V. Heinz, J.P. Siebrasse, P.-A. Koenig, M. Geyer, C. Ziegler, U. Kubitscheck, G.H. Thomas, G. Hagelueken, "Structural and mechanistic analysis of a tripartite ATP-independent periplasmic TRAP transporter", Nature Communications, 2022, doi:

M.F. Peter, C. Gebhardt, R. Mächtel, G.G. Moya Muñoz, J. Glaenzer, A. Narducci, G.H. Thomas, T. Cordes, G. Hagelueken, "Cross-validation of distance measurements in proteins by PELDOR/DEER and single-molecule FRET", Nature Communications, 2022, doi: 

I.V. Hochheiser, H. Behrmann, G. Hagelueken, J.F. Rodríguez-Alcázar, A. Kopp, E. Latz, E. Behrmann, M. Geyer, "Directionality of PYD filament growth determined by the transition of NLRP3 nucleation seeds to ASC elongation", Science Advances, 2022, doi:

I.V. Hochheiser, M. Pilsl, G. Hagelueken, J. Moecking, M. Marleaux, R. Brinkschulte, E. Latz, C. Engel, M. Geyer "Structure of the NLRP3 decamer bound to the cytokine release inhibitor CRID3", Nature, 2022, doi:


C. Rouillon, N. Schneberger, H. Chi, M.F. Peter, M. Geyer, W. Boenigk, R. Seifert, M.F. White, G. Hagelueken, "SAVED by a toxin: Structure and function of the CRISPR Lon protease", biorxiv, 2021, doi:

M.F. Peter, P. Depping, N. Schneberger, E. Severi, K. Gatterdam, S. Tindall, A. Durand, V. Heinz, P.-A. Koenig, M. Geyer, C. Ziegler, G.H. Thomas, G. Hagelueken, "The structure of HiSiaQM defines the architecture of tripartite ATP-independent periplasmic (TRAP) transporters", biorxiv, 2021, doi:

I.V. Hochheiser, H. Behrmann, G. Hagelueken, J.F. Rodríguez-Alcázar, A. Kopp, E. Latz, E. Behrmann, M. Geyer, "Directionality of PYD filament growth determined by the transition of NLRP3 nucleation seeds to ASC elongation", biorxiv, 2021, doi:

I.V. Hochheiser, M. Pilsl, G. Hagelueken, J. Moecking, M. Marleaux, R. Brinkschulte, E. Latz, C. Engel, M. Geyer, "Cryo-EM structure of the NLRP3 decamer bound to the cytokine release inhibitory drug CRID3", biorxiv, 2021, doi:

M.F. Peter, C. Gebhardt, J. Glaenzer, N. Schneberger, M. de Boer, G.H. Thomas, T. Cordes, G. Hagelueken, "Triggering closure of a sialic acid TRAP transporter substrate binding protein through binding of natural and artificial substrates", Journal of Molecular Biology, 2021, 433, 166756, doi:


M. F. Peter, C. Gebhardt, R. Mächtel, J. Glaenzer, G.H. Thomas, T. Cordes, G. Hagelueken, "Cross-validation of distance measurements in proteins by PELDOR/DEER and single-molecule FRET", biorxiv, 2020, doi:

C. Dominick, F. Eggert, C. Wuebben, L. Bornewasser, G. Hagelueken, O. Schiemann, S. Kath-Schorr, "EPR Distance Measurements on Long Non-coding RNAs Empowered by Genetic Alphabet Expansion Transcription", Angew. Chem. Int. Ed Engl, 2020, 59, 7891-7896, doi: 10.1002/anie.201916447

J.J. Jassoy, C.A. Heubach, T. Hett, F. Bernhard, F.R. Haege, G. Hagelueken, O. Schiemann, "Site Selective and Efficient Spin Labelling of Proteins with a Maleimide-Functionalized Trityl Radical for Pulsed Dipolar EPR Spectroscopy", Molecules, 2019, 24, 2735, doi: 10.3390/molecules24152735

M.F. Peter, A. T. Tuukkanen, C. A. Heubach, A. Selsam, F.G. Duthie, D. I. Svergun, O. Schiemann, G. Hagelueken, "Studying Conformational Changes of the Yersinia Type-III-Secretion Effector YopO in Solution by Integrative Structural Biology", Structure, 2019, 27, 1416-1426, doi: 10.1016/j.str.2019.06.007

D. Abdullin, H. Matsuoka, M. Yulikov, N. Fleck, C. Klein, S. Spicher, G. Hagelueken, S. Grimme, A. Lützen, O. Schiemann, "Pulsed EPR Dipolar Spectroscopy under the Breakdown of the High-Field Approximation: The High-Spin Iron(III) Case", Chem. Europ. J., 2019, 25, 8820-8828 ,

C. Dominick, G. Hagelueken, F. Eggert, O. Schiemann, S. Kath-Schorr, "Posttranscriptional spin labelling of RNA by tetrazine-based cycloaddition", Org. Biomol. Chem., 2019, 17, 1805-1808, doi: 10.1039/C8OB02597E

J. Glaenzer, M.F. Peter, G. Hagelueken*, "Studying structure and function of membrane proteins with PELDOR/DEER spectroscopy - A crystallographers' perspective", Methods, 2018, 147, 163-175 doi: 10.1016/j.ymeth.2018.03.002

D.M. Yin, D. Hammler, M.F. Peter, A. Marx, A. Schmitz, G. Hagelueken, "Inhibitor-directed spin labelling - a high precision and minimally invasive technique to study the conformation of proteins in solution", Chem. Eur. J., 2018, 24, 6665-6671, doi: 10.1002/chem.201706047

K. Bountra, G. Hagelueken, H.G. Choudhury, V. Corrade, K. El Omari, A. Wagner, I. Mathavan, S. Zirah, W.Y. Wahlgren, D.P. Tieleman, O. Schiemann, S. Rebuffat, K. Beis, "Structural basis for antibacterial peptide self-immunity by the bacterial ABC transporter McjD", EMBO J., 2017, 36, 3062-3079, doi: 10.15252/embj.201797278

D.M. Yin, J.S. Hannam, A. Schmitz, O. Schiemann, G. Hagelueken*, M. Famulok*, "Studying the conformation of a receptor tyrosine kinase in solution by inhibitor based spin labelling", Angew. Chemie Int. Ed., 2017, 56, 8417-8421

J. Glaenzer, M.F. Peter, G.H. Thomas, G. Hagelueken, "PELDOR Spectroscopy Reveals Two Defined States of a Sialic Acid TRAP Transporter SBP in Solution", Biophys. J., 2017, 112, 109-120. doi: 10.1016/j.bpj.2016.12.010

H.H. Brewitz, G. Hagelueken, D. Imhof, "Structural and functional diversity of transient heme binding to bacterial proteins", Biochim. Biophys. Acta, 2017, 1861, 683-697. doi: 10.1016/j.bbagen.2016.12.021

J.J. Jassoy, A. Berndhäuser, F. Duthie, S.P. Kühn, G. Hagelueken, O. Schiemann, "Versatile Trityl Spin Labels for Nanometer Distance Measurements on Biomolecules In Vitro and within Cells", Angew. Chemie Int. Ed., 2017, 56, 177-181. doi: 10.1002/anie.201609085

M. Kerzhner, D. Abdullin, J. Więcek, H. Matsuoka, G. Hagelueken, O. Schiemann, M. Famulok, "Post-synthetic Spin-Labeling of RNA through Click Chemistry for PELDOR Measurements", Chem. Eur. J., 2016, 22, 12113–12121. doi:10.1002/chem.201601897.

G. Hagelueken, J. Hoffmann, E. Schubert, F.G. Duthie, N. Florin, L. Konrad, D. Imhof, E. Behrmann, N. Morgner, O. Schiemann, "Studies on the X-Ray and Solution Structure of FeoB from Escherichia coli BL21", Biophys. J., 2016, 110, 2642–2650. doi:10.1016/j.bpj.2016.05.018.

H.H. Brewitz, N. Goradia, E. Schubert, K. Galler, T. Kühl, B. Syllwasschy, J. Popp, U. Neugebauer, G. Hagelueken, O. Schiemann, O. Ohlenschläger, D. Imhof, "Heme interacts with histidine- and tyrosine-based protein motifs and inhibits enzymatic activity of chloramphenicol acetyltransferase from Escherichia coli", Biochim. Biophys. Acta, 2016, 1860, 1343–1353. doi:10.1016/j.bbagen.2016.03.027.

D. Abdullin, G. Hagelueken, O. Schiemann, "Determination of nitroxide spin label conformations via PELDOR and X-ray crystallography", Phys. Chem. Chem. Phys., 2016, 18, 10428–10437. doi:10.1039/c6cp01307d.

D. Abdullin, F. Duthie, A. Meyer, E.S. Müller, G. Hagelueken, O. Schiemann, "Comparison of PELDOR and RIDME for Distance Measurements between Nitroxides and Low-Spin Fe(III) Ions", J. Phys. Chem. B., 2015, 119, 13534–13542. doi:10.1021/acs.jpcb.5b02118.

G. Hagelueken, F.G. Duthie, N. Florin, E. Schubert, O. Schiemann, "Expression, purification and spin labelling of the ferrous iron transporter FeoB from Escherichia coli BL21 for EPR studies", Protein. Expr. Purif., 2015, 114, 30–36. doi:10.1016/j.pep.2015.05.014.

E. Schubert, N. Florin, F. Duthie, H. Henning Brewitz, T. Kühl, D. Imhof, G. Hagelueken, O. Schiemann, "Spectroscopic studies on peptides and proteins with cysteine-containing heme regulatory motifs (HRM)", J. Inorg. Biochem., 2015, 148, 49–56. doi:10.1016/j.jinorgbio.2015.05.008.

D. Abdullin, N. Florin, G. Hagelueken, O. Schiemann, "EPR-based approach for the localization of paramagnetic metal ions in biomolecules", Angew. Chem. Int. Ed., 2015, 54, 1827–1831. doi:10.1002/anie.201410396.

G. Hagelueken, B.R. Clarke, H. Huang, A. Tuukkanen, I. Danciu, D.I. Svergun, R. Hussain, H. Liu, C. Whitfield, J.H. Naismith, "A coiled-coil domain acts as a molecular ruler to regulate O-antigen chain length in lipopolysaccharide", Nat. Struct. Mol. Biol. 2015, 22, 50–56. doi: 10.1038/nsmb.2935.

G. Hagelueken, D. Abdullin, O. Schiemann, "mtsslSuite: Probing Biomolecular Conformation by Spin-Labeling Studies", Meth. Enzymol., 2015, 563, 595–622. doi:10.1016/bs.mie.2015.06.006.

D. Abdullin, G. Hagelueken, R.I. Hunter, G.M. Smith, O. Schiemann, "Geometric model-based fitting algorithm for orientation-selective PELDOR data", Mol. Phys., 2014, 113, 544–560. doi:10.1080/00268976.2014.960494.

R. Ward, C. Pliotas, E. Branigan, C. Hacker, A. Rasmussen, G. Hagelueken, I.R. Booth, S. Miller, J. Lucocq, J.H. Naismith, O. Schiemann, "Probing the structure of the mechanosensitive channel of small conductance in lipid bilayers with pulsed electron-electron double resonance", Biophys. J., 2014, 106, 834–842, doi:10.1016/j.bpj.2014.01.008.

N. Florin, O. Schiemann, G. Hagelueken, "High-resolution crystal structure of spin labelled (T21R1) azurin from Pseudomonas aeruginosa: a challenging structural benchmark for in silico spin labelling algorithms", BMC Struct. Biol., 2014, 14, 16, doi:10.1186/1472-6807-14-16.

E. Matalon, T. Huber, G. Hagelueken, B. Graham, V. Frydman, A. Feintuch, G. Otting, D. Goldfarb, "Gadolinium(III) Spin Labels for High-Sensitivity Distance Measurements in Transmembrane Helices", Angew. Chem. Int. Edit., 2013, 52, 11831-11834, doi:10.1002/anie.201305574.

E. Branigan, C. Pliotas, G. Hagelueken, J.H. Naismith, "Quantification of free cysteines in membrane and soluble proteins using a fluorescent dye and thermal unfolding", Nat. Protoc., 2013, 8, 2090–2097, doi:10.1038/nprot.2013.128.

G. Hagelueken, D. Abdullin, R. Ward, O. Schiemann, "mtsslSuite: In silico spin labelling, trilateration and distance-constrained rigid body docking in PyMOL", Molecular Physics., 2013, 111, 2757–2766, doi:10.1080/00268976.2013.809804

G. Hagelueken, H. Huang, B.R. Clarke, T. Lebl, C. Whitfield, J.H. Naismith, "Structure of WbdD: a bifunctional kinase and methyltransferase that regulates the chain length of the O antigen in Escherichia coli O9a", Mol. Microbiol., 2012, 86, 730–742, doi:10.1111/mmi.12014

C. Pliotas, R. Ward, E. Branigan, A. Rasmussen, G. Hagelueken, H. Huang, S.S. Black, I.R. Booth, O. Schiemann, J.H. Naismith, "Conformational state of the MscS mechanosensitive channel in solution revealed by pulsed electron-electron double resonance (PELDOR) spectroscopy", Proc. Nat. Acad. Sci. U.S.A., 2012, 109, E2675–82, doi:10.1073/pnas.1202286109

G. Hagelueken, H. Huang, K. Harlos, B.R. Clarke, C. Whitfield, J.H. Naismith, "Crystallization, dehydration and experimental phasing of WbdD, a bifunctional kinase and methyltransferase from Escherichia coli O9a", Acta Cryst. D Biol. Crystallogr., 2012, 68, 1371–1379, doi:10.1107/S0907444912029599

G. Hagelueken, R. Ward, J.H. Naismith, O. Schiemann, "MtsslWizard: In Silico Spin-Labeling and Generation of Distance Distributions in PyMOL", Appl. Magn. Reson., 2012, 42, 377–391, doi:10.1007/s00723-012-0314-0

K. Steiner, G. Hagelueken, P. Messner, C. Schäffer, J.H. Naismith, "Structural basis of substrate binding in WsaF, a rhamnosyltransferase from Geobacillus stearothermophilus", J. Mol. Biol., 2010, 397, 436–447, doi:10.1016/j.jmb.2010.01.035

G. Hagelueken, H. Huang, I.L. Mainprize, C. Whitfield, J.H. Naismith, "Crystal structures of Wzb of Escherichia coli and CpsB of Streptococcus pneumoniae, representatives of two families of tyrosine phosphatases that regulate capsule assembly", J. Mol. Biol., 2009, 392, 678–688, doi:10.1016/j.jmb.2009.07.026

H. Huang, G. Hagelueken, C. Whitfield, J.H. Naismith, "Crystallization and preliminary crystallographic analysis of the bacterial capsule assembly-regulating tyrosine phosphatases Wzb of Escherichia coli and Cps4B of Streptococcus pneumoniae", Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 2009, 65, 770–772, doi:10.1107/S1744309109023914.

G. Hagelueken, W.J. Ingledew, H. Huang, B. Petrovic-Stojanovska, C. Whitfield, H. ElMkami, O. Schiemann, J.H. Naismith, "PELDOR Spectroscopy Distance Fingerprinting of the Octameric Outer‐Membrane Protein Wza from Escherichia coli", Angew. Chem. Int. Edit., 2009, 48, 2904–2906, doi:10.1002/anie.200805758

G. Hagelueken, S.C. Albrecht, H. Steinmetz, R. Jansen, D.W. Heinz, M. Kalesse, W.-D. Schubert, "The absolute configuration of rhizopodin and its inhibition of actin polymerization by dimerization", Angew. Chem. Int. Edit., 2009, 48, 595–598. doi:10.1002/anie.200802915.

G. Hagelueken, L. Wiehlmann, T.M. Adams, H. Kolmar, D.W. Heinz, B. Tümmler, W.-D. Schubert, "Crystal structure of the electron transfer complex rubredoxin rubredoxin reductase of Pseudomonas aeruginosa", Proc. Nat. Acad. Sci. U.S.A., 2007, 104, 12276–12281, doi:10.1073/pnas.0702919104

G. Hagelueken, T.M. Adams, L. Wiehlmann, U. Widow, H. Kolmar, B. Tümmler, D.W. Heinz, W.-D. Schubert, "The crystal structure of SdsA1, an alkylsulfatase from Pseudomonas aeruginosa, defines a third class of sulfatases", Proc. Nat. Acad. Sci. U.S.A., 2006, 103, 7631–7636, doi:10.1073/pnas.0510501103

M. Eiting, G. Hagelüken, W.-D. Schubert, D.W. Heinz, "The mutation G145S in PrfA, a key virulence regulator of Listeria monocytogenes, increases DNA-binding affinity by stabilizing the HTH motif", Mol. Microbiol., 2005, 56, 433–446, doi:10.1111/j.1365-2958.2005.04561.x