Our Publications

(undergraduate authors indicated in italics)

2022

Bothe et al., submitted
Aisenberg et al., submitted
Pérez-Carrillo et al., submitted
El Hamdaoui et al., submitted
Bando et al., submitted

2021

Jung, S., Fuchs, N., Johé, P., Wagner, A., Diehl, E., Yuliani, T., Zimmer, C., Barthels, F., Klein, P., Opatz, T., Tenzer, S., Distler, U., Räder, H.-J., Weil, T., Kersten, C., Hellmich, U.A., Klein, J., Schirmeister, T. (2021) Fluorovinylsulfones and -sulfonates as potent covalent reversible inhibitors of the trypanosomal cysteine protease rhodesain: SAR, inhibition mechanism, metabolism and in vivo studies.
J. Med. Chem., doi: 10.1021/acs.jmedchem.1c01002

Götz, C., Hinze, G., Gellert, A., Maus, H., von Hammerstein, F., Hammerschmidt, S., Lauth, L.M., Hellmich, U.A., Schirmeister, T., Basché, T. (2021) Conformational Dynamics of the Dengue Virus Protease revealed by Fluorescence Correlation and Single-Molecule FRET studies.
J. Phys. Chem. B,  125(25): 6837–6846 , doi: 10.1021/acs.jpcb.1c01797


Johé, P., Jaenicke, E., Neuweiler, H., Schirmeister, T., Kersten, C., Hellmich, U.A (2021) Structure, interdomain dynamics and pH-dependent autoactivation of pro-rhodesain, the main lysosomal cysteine protease from African trypanosomes.

J. Biol. Chem., 296:100565, doi: 10.1016/j.jbc.2021.100565 


Goretzki, B., Guhl, C., Tebbe, F., Harder, J.-M., Hellmich, U.A. (2021) Unstructural Biology of TRP Ion Channels: The Role of Intrinsically Disordered Regions in Channel Function and Regulation.
J. Mol. Biol., 166931, doi:10.1016/j.jmb.2021.166931

Johé, P., Jung, S., Endres, E., Kersten, C., Zimmer, C., Ye, W., Sönnichsen, C., Hellmich, U.A., Sotriffer, C., Schirmeister, T., Neuweiler, H. (2021) Warhead reactivity limits the speed of inhibition of the cysteine protease rhodesain.
ACS Chem. Biol., 16(4):661–670, doi: 10.1021/acschembio.0c00911

McCray, B.A., Diehl, E., Sullivan, J.M., Aisenberg, W.H., Zaccor, N.W., Lau, A.R., Rich, D., Goretzki, B., Hellmich, U.A., Lloyd, T.E., Sumner, C.J. (2021) Neuropathy-causing TRPV4 mutations disrupt TRPV4-RhoA interactions and impair neurite extension.
Nature Commun., 12:1444,  doi: 10.1038/s41467-021-21699-y

Hamdoun*, A., Hellmich*, U.A., Kuchler*, K., Szakacs*, G. (2021) The Incredible Diversity of Structures and Functions of ABC Transporters.
FEBS Lett.,  595(6):671-674. doi: 10.1002/1873-3468.14061 (invited editorial) (*corresponding authors)

Zengerling, L., Kemper. B., Hellmich, U.A., Besenius, P. (2021) Synthesis and Structural Stability of α-Helical Au(I)-Metallopeptides. 

Synlett, 32:344-349, doi: 10.1055/a-1290-8412

2020

Wesenberg, L., Diehl, E., Zähringer, T.B., Dörr, C., Schollmeyer, D., Shimizu, A., Yoshida, J., Hellmich, U.A., Waldvogel, S.R. (2020) Metal-free Twofold Electrochemical C-H Amination of Activated Arenes: Application to Medicinally Relevant Precursor Syntheses.
Chem. Eur. J., 26(72):17574-17580. doi: 10.1002/chem.202003852

Jungglas, B., Orru, R., Axt, A., Siebenaller, C., Steinchen, W., Heidrich, J., Hellmich, U.A., Hellmann, N., Wolf, E., Weber, S.L., Schneider, D. (2020) IM30 IDPs form a membrane protective carpet upon super-complex disassembly.
Commun. Biol., 3(1):595. doi: 10.1038/s42003-020-01314-4


Ford*, R. C., Hellmich*, U. A. (2020) What monomeric nucleotide binding domains can teach us about dimeric ABC proteins. 

FEBS Lett., 594(23):3857–3875. doi: 10.1002/1873-3468.13921 (*corresponding authors)

Maiorana, S., Ettari, R., Previti, S., Amendola, G., Wagner, A., Cosconati, S., Hellmich, U.A., Schirmeister, T., Zappalà, M. (2020) Peptidyl vinyl ketone irreversible inhibitors of rhodesain: modifications of the P2 fragment.
ChemMedChem, 15(16):1552-1561. doi: 10.1002/cmdc.202000360


Dietschreit, J.C.B., Wagner, A., Le, T.A., Klein, P., Schindelin, H., Opatz, T., Engels, B., Hellmich*, U.A., Ochsenfeld*, C. (2020) Predicting 19F NMR Chemical Shifts: A Combined Computational and Experimental Study of a Trypanosomal Oxidoreductase-Inhibitor Complex.
Angew. Chem. Int. Ed. Engl., 59(31):12669-12673 doi: 10.1002/anie.202000539 (*corresponding authors)

Klein, P., Barthels, F., Johé, P., Wagner, A., Tenzer, S., Distler, U., Le, T.A., Schmid, P., Engel, V., Engels, B., Hellmich, U.A., Opatz, T., Schirmeister, T.  (2020) Naphthoquinones as inhibitors of cysteine proteases.
Molecules, 25(9):2064. doi: 10.3390/molecules25092064

Klein, P., Johé, P., Wagner, A., Jung, S., Kühlborn, J., Tenzer, S., Distler, U., Waigel, W., Engels, B., Hellmich, U.A., Opatz, T., Schirmeister, T. (2020) New Cysteine Protease Inhibitors: Electrophilic (Het)arenes and unexpected Prodrug Identification.
Molecules, 25(6):1451. doi: 10.3390/molecules25061451

Goretzki, B., Heiby, J., Hacker, C. Neuweiler, H., Hellmich, U.A. (2020) NMR assignments of a dynamically perturbed and dimerization inhibited N-terminal domain variant of a spider silk protein from E. australis.
Biomol NMR Assign. 14:67–71. doi: 10.1007/s12104-019-09922-w.

Steiert, E., Ewald, J., Wagner, A., Hellmich, U.A., Frey, H., Wich, P.R. (2020) pH-Responsive Protein Nanoparticles via Conjugation of Degradable PEG to the Surface of Cytochrome c.
Polymer Chem. 11:551-559. doi: 10.1039/C9PY01162E

FEBS Letters Special Edition "Diversity of Structure and Function of ABC Transporters", Guest Editors: Amro Hamdoun, Ute A. Hellmich, Karl Kuchler, Gergely Szakacs

2019

Millies, B., von Hammerstein, F., Gellert, A., Hammerschmidt, S., Barthels, F., Göppel, U., Immerheiser, M., Elgner, F., Jung, N., Basic, M., Kersten, C., Kiefer, W., Bodem, J., Hildt, E., Windbergs, M., Hellmich*, U.A., Schirmeister*, T. (2019) Proline-based allosteric inhibitors of Zika and Dengue virus NS2B/NS3 proteases.
J. Med. Chem. 62(24):11359-11382. doi: 10.1021/acs.jmedchem.9b01697 (*corresponding authors)

Ettari, R., Previti, S., Maiorana, S., Amendola, G., Wagner, A., Cosconati, S., Schirmeister, T., Hellmich, U.A., Zappalà, M. (2019) Optimization strategy of novel peptide-based Michael acceptors for the treatment of Human African Trypanosomiasis.
J. Med. Chem. 62(23):10617-10629. doi: 10.1021/acs.jmedchem.9b00908

Heiby*, J., Goretzki*, B., Johnson, C., Hellmich#, U.A., Neuweiler#, H. (2019) Methionine in a protein hydrophobic core drives tight interactions required for assembly of spider silk.
Nature Commun. 10(1):4378.  doi: 10.1038/s41467-019-12365-5. (*shared first authors, #corresponding authors)


von Hammerstein*, F., Lauth*, L. M., Hammerschmidt, S., Wagner, A., Schirmeister, T., Hellmich, U.A. (2019) Cis autocatalytic cleavage of glycine‐linked Zika virus NS2B‐NS3 protease constructs.
FEBS Lett. 593(16):2204-2213. doi: 10.1002/1873-3468.13507. (*shared first authors)


Viet*, K.K., Wagner*, A., Schwickert*, K., Hellwig, N., Brennich, M., Bader, N., Schirmeister, T., Morgner, N., Schindelin, H., Hellmich, U.A. (2019) Structure of the human TRPML2 ion channel extracytosolic/lumenal domain.
Structure, 27(8):1246-1257. doi: 10.1016/j.str.2019.04.016. (*shared first authors) 


Rose-Sperling, D., Tran, M. A., Lauth, L.M., Goretzki, B., Hellmich, U.A. (2019) 19F NMR as a versatile tool to study membrane protein structure and dynamics.
Biol. Chem., 400(10):1277-1288. doi: 10.1515/hsz-2018-0473

Wagner, A., Le, T.A., Brennich, M., Klein, P., Bader, N., Diehl, E., Paszek, D., Weickhmann, A.K., Dirdjaja, N., Krauth-Siegel, R.L., Engels, B., Opatz, T., Schindelin, H., Hellmich, U.A. (2019) Inhibitor-Induced Dimerization of an Essential Oxidoreductase from African Trypanosomes.
Angewandte Chemie Int. Ed. 58(11):3640-3644. doi: 10.1002/anie.201810470


Wagner, A., Le, T. A., Brennich, M., Klein, P., Bader, N., Diehl, E., Paszek, D., Weickhmann, A. K., Dirdjaja, N., Krauth-Siegel, R. L., Engels, B., Opatz, T., Schindelin, H., Hellmich, U.A. (2019) Inhibitor-induzierte Dimerisierung einer essentiellen Oxidoreduktase aus Afrikanischen Trypanosomen. doi: 10.1002/ange.201810470
Angewandte Chemie, 131(11):3679-3683

2018

Goretzki*, B., Glogowski*, N.A., Diehl, E., Duchardt-Ferner, E., Hacker, C., Gaudet, R., Hellmich, U. A. (2018) Structural basis of TRPV4 N-terminus interaction with Syndapin/PACSIN1-3 and PIP2.
Structure, 26(12):1583-1593. doi: 10.1016/j.str.2018.08.002 (*shared first authors) 


Howard*, R.J., Carnevale*, V., Delemotte*, L., Hellmich*, U. A., Rothberg*, B. (2018) Permeating disciplines: overcoming barriers between molecular simulations and classical structure-function approaches in biological ion transport.
Biochim. Biophys. Acta Biomembr. 1860(4):927-942. doi: 10.1016/j.bbamem.2017.12.013. Front Cover. (*corresponding authors)

Szöllösi, D., Rose-Sperling, D, Hellmich, U. A., Stockner, T. (2018) Comparison of mechanistic transport cycle models of ABC exporters.
Biochim. Biophys. Acta Biomembr. 1860(4):818-832. doi: 10.1016/j.bbamem.2017.10.028.

Hellmich*, U.A., McILwain*, B., Doshi*, R. (2018) Where do we go from here? Membrane protein research beyond the structure-function horizon. (invited editorial)
Biochim. Biophys. Acta Biomembr. 1860(4):801-803. doi: 10.1016/j.bbamem.2017.12.016. (*corresponding authors)

BBA Biomembranes Special Edition "Beyond the Structure-Function Horizon of Membrane Proteins", Guest Editors: Ute A. Hellmich, Rupak Doshi, Benjamin McIlwain

2017 and earlier

Preveti, S., Ettari, R., Cosconati, S., Amendola, G., Chouchene, K., Wagner, A., Hellmich, U.A., Ulrich, K., Krauth-Siegel, R.L., Wich, P.R., Schmid, I., Schirmeister, T., Gut, J., Rosenthal, P.J., Grasso, S., Zappalà, M. (2017) Development of novel peptide-based Michael acceptors targeting rhodesain and falcipain-2 for the treatment of Neglected Tropical Diseases (NTDs).
J. Med. Chem. 60(16):6911-6923.

Wagner, A., Diehl, E., Krauth-Siegel, R.L., Hellmich, U. A. (2017) Backbone NMR assignments of tryparedoxin, the central protein in the hydroperoxide detoxification cascade of African trypanosomes, in the oxidized and reduced form.
Biomol. NMR Assign. 11(2):193-196.

Neumann, J., Rose-Sperling, D. and Hellmich, U. A. (2017) Diverse relations between lipids and ABC transporters: an overview.
Biochim. Biophys. Acta Biomembr.  1859(4):605-618.


Latorre, A., Schirmeister, T., Kesselring, J., Jung, S., Johé, P., Hellmich, U. A., Heilos, A., Engels, B., Krauth-Siegel, R. L., Dirdjaja, N., Bou-Iserte, L., Rodríguez, S., González, F. V. (2016) Dipeptidyl Nitroalkenes as Potent Reversible Inhibitors of Cysteine Proteases Rhodesain and Cruzain.

ACS Med. Chem. Lett. 7(12):1073-1076.

Schirmeister, T., Kesselring, J., Jung, S., Schneider, T., Weickert, A., Becker, J., Lee, W., Bamberger, D., Wich, P. R., Distler, U., Tenzer, S., Johé, P., Hellmich, U. A., Engels, B. (2016) Quantum chemical-based Protocol for the rational Design of covalent Inhibitors.
J. Am. Chem. Soc., 138(27):8332-5. 


Hellmich*, U.A., Mönkemeyer, L., Velamakanni, S., van Veen, H.W., Glaubitz*, C. (2015) Effects of nucleotide binding to LmrA: A combined MAS-NMR and solution NMR study. 

Biochim. Biophys. Acta Biomembr. 1848(12):3158-65. (*corresponding authors)


Hacker, C., Christ, N. A., Duchardt-Ferner, E., Korn, S., Göbl, C., Berninger, L., Düsterhus, S., Hellmich, U. A., Madl, T., Kötter, P., Entian, K., Wöhnert, J. (2015) The solution structure of the lantibiotic immunity protein NisI and its interactions with nisin.
J. Biol. Chem.290(48):28869-86.

Hellmich*, U.A. and Gaudet*, R. (2014) High-resolution views of TRPV1 and their implications for the TRP channel superfamily. In Mammalian Transient Receptor Potential (TRP) cation channels, B. Nilius, and V. Flockerzi, eds. (Heidelberg, Germany: Springer DE). 
Handb. Exp. Pharmacol. 223:991-1004.  (*corresponding authors)

Hellmich*, U.A. and Gaudet*, R. (2014) Structural Biology of TRP Channels. In Mammalian Transient Receptor Potential (TRP) cation channels, B. Nilius, and V. Flockerzi, eds. (Heidelberg, Germany: Springer DE). 
Handb. Exp. Pharmacol. 223:963-90. (*corresponding authors)

Hellmich, U.A., Weis, B.L., Luitikov, A., Wurm, J.P., Christ, N.A., Hantke, K., Kötter, P., Entian, K.D., Schleiff, E. and Wöhnert, J. (2013) Essential ribosome assembly factor Fap7 regulates a hierarchy of RNA-protein interactions during small ribosomal subunit biogenesis.
Proc. Nat. Acad. Sci. USA 110(38):15253-8.

Garcia-Elias, A., Mrkonjic, S., Pardo-Pastor, C., Inada, H., Hellmich, U.A., Rubio-Moscardo, F., Plata, C., Gaudet, R., Vicente, R. and Valverde, M.A. (2013) PIP2-dependent rearrangement of TRPV4 cytosolic tails enables channel activation by physiological stimuli.
Proc. Nat. Acad. Sci. USA 110(23):9553-8.

Mörs, K., Hellmich, U.A., Basting, D., Marchand, P., Wurm, J.P., Haase, W. and Glaubitz, C. (2013) A lipid-dependent link between activity and oligomerization state of the M. tuberculosis SMR protein Tbsmr.
Biochim. Biophys. Acta Biomembr. 1828(2):561-7.

Hellmich, U.A. and Wöhnert, J. (2013) Backbone resonance assignments for a homolog of the essential ribosome biogenesis factor Fap7 from P. horikoshii in its nucleotide-free and -bound forms.
Biomol. NMR Assign. 7(2):261-5.

Christ, N.A., Bochmann, S., Gottstein, D., Duchardt-Ferner, E., Hellmich, U.A., Düsterhus, S., Kötter, P., Güntert, P., Entian, K.D. and Wöhnert, J. (2012) The first structure of a LanI protein, SpaI: The protein conferring autoimmunity against the lantibiotic subtilin in Bacillus subtilis reveals a novel fold. 
J. Biol. Chem. 287(42):35286-98.

Hellmich*, U.A., Lyubenova*, S., Kaltenborn, E., Doshi, R., van Veen, H. W., Prisner, T.F. and Glaubitz, C. (2012) Probing the ATP hydrolysis cycle of the ABC multidrug transporter LmrA by pulsed EPR Spectroscopy.
J. Am. Chem. Soc., 134(13):5857-62.(*contributed equally)

Hellmich, U.A., Duchardt-Ferner, E., Glaubitz, C. and Wöhnert, J. (2012) Backbone NMR resonance assignments of the nucleotide binding domain of the ABC multidrug transporter LmrA from Lactococcus lactis in its ADP-bound state.
Biomol. NMR Assign. 6(1):69-73.

Ullrich*, S.J., Hellmich*, U.A., Ullrich, S. and Glaubitz, C. (2011) Interfacial enzyme kinetics of a membrane bound kinase analyzed by real-time MAS-NMR.
Nature Chem. Biol. 7(5):263-70. (*contributed equally)

Zutz, A., Hoffman, J., Hellmich, U.A., Glaubitz, C., Ludwig, B., Brutschy, B. and Tampé, R. (2011) Asymmetric ATP hydrolysis cycle of the heterodimeric multidrug ABC complex TmrAB from Thermus thermophiles.
J. Biol. Chem. 286(9):7104-15

Hellmich*, U.A. and Glaubitz, C. (2009) NMR and EPR on membrane transporters.
Biol. Chem. 390(8), 815-34. Invited Review (*corresponding author)

Pfleger, N., Wörner, A. C., Yang, J., Shastri, S., Hellmich, U.A., Aslimovska, L., Maier, M. S. M. and Glaubitz, C. (2009) Solid-state NMR and functional studies on Proteorhodopsin.
Biochim. Biophys. Acta Bioenerg. 1787(6), 697-705

Hellmich*, U.A., Pfleger*, N. and Glaubitz, C. (2009) 19F NMR on Proteorhodopsin: enhanced protocol for labeling for general application on membrane proteins.
Photochem. Photobiol. 85(2), 535-539 (*contributed equally)

Hellmich, U.A., Haase, W., Velamakanni, S., van Veen, H. W. and Glaubitz, C. (2008) Caught in the Act: ATP hydrolysis of an ABC multidrug transporter by real-time MAS NMR.
FEBS Lett. 23(23-24), 3557-3562

Siarheyeva, A., Lopez, J. J., Lehner, I., Hellmich, U.A., van Veen, H. W. and Glaubitz, C. (2007) Probing the Molecular Dynamics of the ABC Multidrug Transporter LmrA by Deuterium Solid-State Nuclear Magnetic Resonance.
Biochemistry 46(11); 3075-3083