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Schultz, B.-J., Mohrmann, H., Lórenz-Fonfría, V.A., Heberle J.
Protein dynamics observed by tunable mid-IR quantum cascade lasers across the time range from 10 ns to 1 s
Spectrochim. Acta A (2018), 188, 666-674,


Mebs, S., Kositzki, R., Duan, J., Senger, M., Wittkamp, F., Apfel, U.-P., Happe, T., Stripp, S.T., Winkler, M., Haumann, M.
Hydrogen and oxygen trapping at the H-cluster of [FeFe]‑hydrogenase revealed by site-selective spectroscopy and QM/MM calculations

Senger, M., Mebs, S.,  Duan, J., Shulenina, O., Laun, K., Kertess, L., Wittkamp, F., Apfel, U.-P., Happe, T., Winkler, M., Haumann, M., and Stripp, S.T.
Protonation/reduction dynamics at the [4Fe–4S] cluster of the hydrogen-forming cofactor in [FeFe]-hydrogenases
Phys. Chem. Chem. Phys. 2017, doi: 10.1039/C7CP04757F

Mebs, S., Senger, M., Duan, J., Wittkamp, F., Apfel, U.-P., Happe, T., Winkler, M., Stripp, S.T., and Haumann, M.
Bridging Hydride at Reduced H-Cluster Species in [FeFe]-Hydrogenases
Revealed by Infrared Spectroscopy, Isotope Editing, and Quantum Chemistry

J. Am. Chem. Soc., Just Accepted Manuscript. doi: 10.1021/jacs.7b07548, Publication Date (Web): August 21, 2017

Berntsson O, Diensthuber RP, Panman MR, Björling A, Gustavsson E, Hoernke M, Hughes AJ, Henry L, Niebling S, Takala H, Ihalainen JA, Newby G, Kerruth S, Heberle J, Liebi M, Menzel A, Henning R, Kosheleva I, Möglich A, Westenhoff S.
Sequential conformational transitions and α-helical supercoiling regulate a sensor histidine kinase
Nat Commun. 2017 Aug 18;8(1):284. doi: 10.1038/s41467-017-00300-5

Harris NJ, Reading E, Ataka K, Grzegorzewski L, Charalambous K, Liu X, Schlesinger R, Heberle J, Booth PJ.
Structure formation during translocon-unassisted co-translational membrane protein folding
Sci Rep. 2017 Aug 14;7(1):8021. doi: 10.1038/s41598-017-08522-9

Mohrmann H, Heberle J.
Reply to "Comment on 'Transient Conformational Changes of Sensory Rhodopsin II Investigated by Vibrational Stark Effect Probes'"
J Phys Chem B. 2017 Aug 3;121(30):7397-7399. doi: 10.1021/acs.jpcb.7b03453. Epub 2017 Jul 24

Winkler, M., Senger, M., Duan, J., Esselborn, J., Wittkamp, F., Hofmann, E., Apfel, U.-P., Stripp, S.T., Happe,
Accumulating the hydride state in the catalytic cycle of [FeFe]-hydrogenases
Nature Communications 8 (2017); doi: 10.1038/ncomms16115

Senger, M., Stripp, S.T., Soboh, B.
Proteolytic Cleavage Orchestrates Cofactor Insertion and Protein Assembly in [NiFe]-hydrogenase Biosynthesis
J. Biol Chem. (2017);

Senger, M., Stripp, S.T.
Wasserstoffkatalyse in Mikroalgen
Nachrichten aus der Chemie, (2017) 65, 123-127;  doi: 10.1002/nadc.20174056774

Kovácsová, G., Grünbein, M.L., Kloos, M., Barends, T.R.M., Schlesinger, R., Heberle, J., Kabsch, W., Shoeman, R.L., Doaka, R.B., and Schlichting, I.
Viscous hydrophilic injection matrices for serial crystallography
IUCrJ (2017) 4, doi:10.1107/S2052252517005140

Kerruth, S., Langner, P., Raffelberg, S., Gärtner, W., Heberle, J.
Characterization of the blue-light activated adenylyl cyclase mPAC by flash photolysis and FTIR spectroscopy
Photochem. Photobiol. (2017) 93, 637–907; 10.1111/php.12746

Kottke, T., Lórenz-Fonfría V.A., Heberle, J.
The Grateful Infrared – Sequential Protein Structural Changes Resolved by IR Difference Spectroscopy
J. Phys. Chem. B (2017) 121, 335-350; doi:10.1021/acs.jpcb.6b09222


Hoersch, D., Kortemme T.
A model for the molecular mechanism of an engineered light-driven protein machine
Structure. 24(4):576-584 (2016)

Hoersch, D.
Engineering a light-controlled F1 ATPase using structure-based protein design
Peer J. 4:e2286 (2016)

Schreiner, M., Schlesinger, R., Heberle, J. & Niemann, H.H.
Crystal structure of Halobacterium salinarum halorhodopsin with a partially depopulated primary chloride-binding site
Acta Cryst. (2016). F72, 692-699, doi:10.1107/S2053230X16012796

Senger, M., Mebs, S., Duanc, J., Wittkamp, F., Apfel, U.-P., Heberle, J., Haumann, M., and Stripp, S.T. 

Stepwise isotope editing of [FeFe]-hydrogenases exposes cofactor dynamics
Proc. Natl. Acad. Sci USA, 113, 8454-8459 (2016), doi:10.1073/pnas.1606178113

Süss, B., Ringleb, F.  and Heberle J.
New Ultrarapid-Scanning Interferometer for FT-IR spectroscopy with Microsecond Time-resolution
Rev. Sci. Instr. 87, 063113 (2016); doi: 10.1063/1.4953658

Stensitzki T, Yang Y, Muders V, Schlesinger R, Heberle J, Heyne K.
Femtosecond infrared spectroscopy of channelrhodopsin-1 chromophore isomerization
Struct. Dyn.3, 043208 (2016);

Mohrmann H, Kube I, Lórenz-Fonfría VA, Engelhard M, Heberle J.
Transient Conformational Changes of Sensory Rhodopsin II Investigated by Vibrational Stark Effect Probes
J Phys Chem B (2016) 120, 4383–4387; doi: 10.1021/acs.jpcb.6b01900

Schnedermann C, Muders V, Ehrenberg D, Schlesinger R, Kukura P, Heberle J.
Vibronic Dynamics of the Ultrafast all-trans to 13-cis Photoisomerization of Retinal in Channelrhodopsin-1.
J Am Chem Soc. 2016 Apr 13;138(14):4757-62. doi: 10.1021/jacs.5b12251

Baumann A, Kerruth S, Fitter J, Büldt G, Heberle J, Schlesinger R, Ataka K.
In-Situ Observation of Membrane Protein Folding during Cell-Free Expression.
PLoS One. 2016 Mar 15;11(3):e0151051. doi: 10.1371/journal.pone.0151051

B. Green, S. Kovalev, V. Asgekar, G. Geloni, U. Lehnert, T. Golz, M. Kuntzsch, C. Bauer, J. Hauser, J. Voigtlaender, B. Wustmann, I. Koesterke, M. Schwarz, M. Freitag, A. Arnold, J. Teichert, M. Justus, W. Seidel, C. Ilgner, N. Awari, D. Nicoletti, S. Kaiser, Y. Laplace, S. Rajasekaran, L. Zhang, S. Winnerl, H. Schneider, G. Schay, I. Lorincz, A. A. Rauscher, I. Radu, S. Mährlein, T. H. Kim, J. S. Lee, T. Kampfrath, S. Wall, J. Heberle, A. Malnasi-Csizmadia, A. Steiger, A. S. Müller, M. Helm, U. Schramm, T. Cowan, P. Michel, A. Cavalleri, A. S. Fisher, N. Stojanovic, M. Gensch
High-Field High-Repetition-Rate Sources for the Coherent THz Control of Matter
Scientific Reports 6, Article number: 22256 (2016) doi:10.1038/srep22256


Heberle, J.
Time-Resolved and Surface-Enhanced Infrared Spectroscopy,
in “Pumps, Channels and Transporters”, (Ronald J. Clarke & Mohammed A.A. Khalid, Eds.),
pp. 245-265, John Wiley & Sons, New Jersey (2015)
ISBN 978-1-118-85880-6

Lórenz-Fonfría VA, Bamann C, Resler T, Schlesinger R, Bamberg E, Heberle J
Temporal evolution of helix hydration in a light-gated ion channel correlates with ion conductance.
Proc Natl Acad Sci U S A. 2015 Oct 27;112(43):E5796-804. doi: 10.1073/pnas.1511462112. Epub 2015 Oct 12

Shima S, Chen D, Xu T, Wodrich MD, Fujishiro T, Schultz KM, Kahnt J, Ataka K, Hu X
Reconstitution of [Fe]-hydrogenase using model complexes
Nat Chem. 2015 Dec;7(12):995-1002. doi: 10.1038/nchem.2382

Hidese R, Ataka K, Bill E, Shima S
CuI and H2 O2 Inactivate and FeII Inhibits [Fe]-Hydrogenase at Very Low Concentrations
Chembiochem. 16(13):1861-1865 (2015). doi: 10.1002/cbic.201500318. [Epub ahead of print]

Fujishiro T, Ataka K, Ermler U, Shima S
Towards a functional identification of catalytically inactive [Fe]-hydrogenase paralogs
FEBS J. 2015 Sep;282(17):3412-23. doi: 10.1111/febs.13351. Epub 2015 Jul 14

Fuerst O, Lin Y, Granell M, Leblanc G, Padrós E, Lórenz-Fonfría VA, Cladera J
J Biol Chem. 2015 Jun 26;290(26):16261-71. doi: 10.1074/jbc.M115.642678

Stripp ST, Lindenstrauss U, Sawers RG, Soboh B
Identification of an Isothiocyanate on the HypEF Complex Suggests a Route for Efficient Cyanyl-Group Channeling during [NiFe]-Hydrogenase Cofactor Generation
PLoS One. 2015 Jul 17;10(7):e0133118. doi: 10.1371/journal.pone.0133118

Stensitzki T, Muders V, Schlesinger R, Heberle J, Heyne K
The primary photoreaction of channelrhodopsin-1: wavelength dependent photoreactions induced by ground-state heterogeneity
Front Mol Biosci. 2015 Jul 22;2:41. doi: 10.3389/fmolb.2015.00041. eCollection 2015

Sezer M, Kielb P, Kuhlmann U, Mohrmann H, Schulz C, Heinrich D, Schlesinger R, Heberle J, Weidinger IM,
Surface Enhanced Resonance Raman Spectroscopy Reveals Potential Induced Redox and Conformational Changes of Cytochrome c Oxidase on Electrodes
J Phys Chem B. 2015 Jul 30;119(30):9586-9591.

Kuschewski F, Kehr SC, Green B, Bauer Ch, Gensch M, Eng LM,
Optical nanoscopy of transient states in condensed matter
Sci Rep. 2015 Jul 28;5:12582. doi: 10.1038/srep12582

Resler T, Schultz BJ, Lórenz-Fonfría VA, Schlesinger R, Heberle J
Kinetic and Vibrational Isotope Effects of Proton Transfer Reactions in Channelrhodopsin-2
Biophys J. 2015 Jul 21;109(2):287-97. doi: 10.1016/j.bpj.2015.06.023.

Schreiner, M., Schlesinger, R., Heberle, J., Niemann, H.H.
Structure of Halorhodopsin from Halobacterium salinarum in a new crystal form that imposes little restraint on the E-F loop
J Struct Biol. 2015 Jun;190(3):373-8. doi: 10.1016/j.jsb.2015.04.010. Epub 2015 Apr 24.

Stripp, S.T. and Heberle J
Photosynthesis and hydrogen metabolism revisited. On the potential of light-driven hydrogen production in vitro
in “Biohydrogen”, (Matthias Rögner, Ed.)
pp. 211-229, Walter de Gruyter GmbH, Berlin (2015); ISBN 978-3-11-033645-0

Lórenz-Fonfría, V.A., Schultz, B.J., Resler, T., Schlesinger, R., Bamann, C., Bamberg, E., Heberle, J.
Pre-Gating Conformational Changes in the ChETA Variant of Channelrhodopsin-2 Monitored by Nanosecond IR Spectroscopy
J. Am. Chem. Soc. 137, 1850−1861 (2015); doi: 10.1021/ja5108595


Lórenz-Fonfría, V A, Muders, V, Schlesinger, R, Heberle, J
Changes in the hydrogen-bonding strength of internal water molecules and cysteine residues in the conductive state of channelrhodopsin-1
J. Chem. Phys. 141 (22) (2014); doi:10.1063/1.4895796

Stripp S T, Lindenstrauss U, Granich C, Sawers R G, Soboh B
The Influence of Oxygen on [NiFe]–HydrogenaseCofactor Biosynthesis and How Ligation of CarbonMonoxide Precedes Cyanation
PLoS ONE 9(9): e107488. doi:10.1371/journal.pone.0107488 (2014)

Soboh B, Lindenstrauss U, Granich C, Javed M, Herzberg M, Thomas C, Stripp S T
[NiFe]-hydrogenase maturation in vitro: analysis of the roles of the HybG and HypD accessory proteins
Biochem. J. (2014) Immediate Publication, doi:10.1042/BJ20140485 (2014)

Kerruth S, Ataka K, Frey D, Schlichting I, Heberle J
Aureochrome 1 Illuminated: Structural Changes of a Transcription Factor Probed by MolecularSpectroscopy
PLoS ONE 9(7): e103307. doi:10.1371/journal.pone.0103307 (2014)

Lórenz-Fonfría, V. A., Heberle, J.
Proton Transfer and Protein Conformation Dynamics in Photosensitive Proteins by Time-resolved Step-scan Fourier-transform Infrared Spectroscopy
J. Vis. Exp. (88), e51622, doi:10.3791/51622 (2014)

Muders V, Kerruth S, Lórenz-Fonfría VA, Bamann C, Heberle J, Schlesinger R.
Resonance Raman and FTIR spectroscopic characterization of the closed and open states of channelrhodopsin-1
FEBS Lett. 588,  2301–2306 (2014)

Rüther A, Pfeifer M, Lórenz-Fonfría VA, Lüdeke S.
pH titration monitored by quantum cascade laser-based vibrational circular dichroism
J Phys Chem B. 118, 3941-9 (2014). doi: 10.1021/jp4122886. Epub 2014 Apr 2.

Rüther A, Pfeifer M, Lórenz-Fonfría VA, Lüdeke S.
Reaction Monitoring Using Mid-Infrared Laser-Based Vibrational Circular Dichroism
Chirality 26, 490-6 (2014). doi: 10.1002/chir.22307

Heberle J, Deupi X, Schertler G
Retinal proteins - You can teach an old dog new tricks
Biochim Biophys Acta. 1837, 531-2 (2014)

Lorenz-Fonfria, V A, Heberle, J
Channelrhodopsin unchained: Structure and mechanism of a light-gated cation channel
Biochim Biophys Acta. 1837, 626-642 (2014)


Munter LM, Sieg H, Bethge T, Liebsch F, Bierkandt FS, Schleeger M, Bittner HJ, Heberle J, Jakubowski N, Hildebrand PW, Multhaup G
Model peptides uncover the role of the β-secretase transmembrane sequence in metal-ion mediated oligomerization
J Am Chem Soc. 135, 19354-61 (2013)

Amenabar I, Poly S, Nuansing W, Hubrich EH, Govyadinov A, Huth F, Krutokhvostov R, Zhang L, Knez M, Heberle J, Bittner A, Hillenbrand, R
Structural analysis and mapping of individual protein complexes by infrared nanospectroscopy
Nat Commun. 2013 Dec 4;4:2890. doi: 10.1038/ncomms3890.  (2013)

Lin Y, Fuerst O, Granell M, Leblanc G, Lórenz-Fonfría V, Padrós E
The substitution of Arg149 with Cys fixes the melibiose transporter in an inward-open conformation.
Biochim Biophys Acta. 1828,1690-9 (2013)

Woelke AL, Galstyan G, Galstyan A, Meyer T, Heberle J, Knapp EW
Exploring the Possible Role of Glu286 in CcO by Electrostatic Energy Computations Combined with Molecular Dynamics
J Phys Chem B. 117, 12432-41 (2013)

Krause N, Engelhard C, Heberle J, Schlesinger R, Bittl R
Structural differences between the closed and open states of channelrhodopsin-2 as observed by EPR spectroscopy
FEBS Lett. 587, 3309-3313 (2013)

Soboh B, Stripp ST, Bielak C, Lindenstrauß U, Braussemann M, Javaid M, Hallensleben M, Granich C, Herzberg M, Heberle J, Gary Sawers R
The [NiFe]-hydrogenase accessory chaperones HypC and HybG of Escherichia coli are iron- and carbon dioxide-binding proteins
FEBS Lett. 587, 2512-6 (2013)

Pfitzner E, Wachauf C, Kilchherr F, Pelz B, Shih WM, Rief M, Dietz H
Rigid DNA Beams for High-Resolution Single-Molecule Mechanics
Angew. Chem. Int. Ed. 52, 1–7 (2013)

Hatting B, Heeg S, Ataka K, Heberle J, Hennrich F, Kappes MM, Krupke R, and Reich S
Fermi energy shift in deposited metallic nanotubes: A Raman scattering study
Phys. Rev. B 87, 165442/1-5 (2013)

Ataka K, Stripp S, and Heberle J
Surface-enhanced infrared absorption spectroscopy (SEIRAS) to probe monolayers of membrane proteins
Biochim. Biophys. Acta 1828, 2283-93 (2013)

Stripp ST, Soboh B, Lindenstrauß U, Braussemann M, Herzberg M, Nies DH, Sawers RG, Heberle J 
HypD is the Scaffold Protein for Fe-(CN)2CO Cofactor Assembly in [NiFe]-Hydrogenase Maturation
Biochemistry 52, 3289-96 (2013)

Neumann-Verhoefen MK, Neumann K, Bamann C, Radu I, Heberle J, Bamberg E, Wachtveitl JL
Ultrafast infrared spectroscopy on channelrhodopsin-2 reveals efficient energy transfer from the retinal chromophore to the protein
J Am Chem Soc. 135, 6968-76 (2013)

Lórenz-Fonfría, V.A., Resler, T., Krause, N., Nack, M., Gossing, M., Fischer von Mollard, G., Bamann, C., Bamberg, E., Schlesinger, R., and Heberle, J.
Transient protonation changes in channelrhodopsin-2 and their relevance to channel gating
Proc. Natl. Acad. Sci USA 110 (14), E1273-E1281 (2013)

Ataka K and Heberle J,
Surface Enhanced Infrared Absorption Spectroscopy
in “Encyclopedia of Biophysics”, (Gordon C.K. Roberts (Ed.) and European Biophysical Societies Association)
pp. 2528-2531, Springer, Berlin (2013)
ISBN 978-3-642-16711-9


Soboh B, Stripp ST, Muhr E, Granich C, Braussemann M, Herzberg M, Heberle J, Gary Sawers R
[NiFe]-hydrogenase maturation: Isolation of a HypC-HypD complex carrying diatomic CO and CN(-) ligands
FEBS Lett. 586, 3882-7 (2012)

Schick M, Xie XL, Ataka K, Kahnt J, Linne U, Shima S
Biosynthesis of the Iron-Guanylylpyridinol Cofactor of [Fe]-Hydrogenase in Methanogenic Archaea as Elucidated by Stable-Isotope Labeling
J Am Chem Soc 134, 3271-3280 (2012)

Shima S, Schick M; Kahnt J, Ataka K, Steinbach K, Linne U
Evidence for acyl-iron ligation in the active site of [Fe]-hydrogenase provided by mass spectrometry and infrared spectroscopy
Dalton Trans. 41, 767-771 (2012)

Burney S, Wenzel R, Kottke T, Roussel T, Hoang N, Bouly J-P, Bittl R, Heberle J, and Ahmad M 
Single amino acid substitution reveals latent photolyase activity in Arabidopsis cry1
Angew. Chem. 124, 9490-9494 (2012)

Schleeger M, Heberle J, and Kakorin S
Simplifying the analysis of enzyme kinetics of cytochrome C oxidase by the Lambert-W function
Open J. Biophys. 2, 117-129 (2012)

Nack M, Radu I, Schultz B-J, Resler T, Schlesinger R, Bondar A-N, del Val C, Abbruzzetti S, Viappiani C, Bamann C, Bamberg E, and Heberle J
Kinetics of Proton Release and Uptake by Channelrhodopsin-2
FEBS Lett. 586, 1344-8 (2012)


Kirchberg K, Kim TY, Möller M, Skegro D, Dasara Raju G, Granzin J, Büldt G, Schlesinger R, Alexiev U
Conformational dynamics of helix 8 in the GPCR rhodopsin controls arrestin activation in the desensitization process
Proc. Natl. Acad Sci USA 108, 18690-5 (2011) 

Ballout F, Krassen H, Kopf I, Ataka K, Bründermann E, Heberle J, Havenith M
Scanning near-field IR microscopy of proteins in lipid bilayers
Phys. Chem. Chem. Phys. 13, 21432-21436 (2011) 

Schleeger M, Radu I, Heberle J
Time-resolved FT-IR Spectroscopy for the Elucidation of Protein Function’,
in: "Supramoleclar Structure and Function 10",
Eds. Brnjas-Kraljevic, J., Pifat-Mrzljak, G., Springer, pp. 31-40 (2011)

Krassen H, Stripp ST, Böhm N, Berkessel A, Happe T, Ataka K, and Heberle J
Tailor-Made Modification of a Gold Surface for the Chemical Binding of a High-Activity [FeFe] Hydrogenase
Eur. J. Inorg. Chem. 2011, 1138–1146 (2011)

Shima S, Ataka K
Isocyanides inhibit [Fe]-hydrogenase with very high affinity
FEBS Lett. 585, 353-356 (2011)

Bauer C, Rabl C-R, Heberle J, Kottke T
Indication for a Radical Intermediate Preceding the Signaling State in the LOV Domain Photocycle
Photochem. Photobiol. 87, 548-553 (2011)

Radu I, Schleeger M, Nack M, Heberle J
Time-resolved FT-IR Spectroscopy of Membrane Proteins
Aust. J. Chem. 64, 9-15 (2011)

Krassen H, Ott S, and Heberle J
'In vitro' Hydrogen Production – using Energy from the Sun
Phys. Chem. Chem. Phys., 13, 47-57 (2011)


Thamarath SS, Heberle J, Hore PJ, Kottke T, Matysik J.
Solid-State Photo-CIDNP Effect Observed in Phototropin LOV1-C57S by (13)C Magic-Angle Spinning NMR Spectroscopy.

J. Am. Chem. Soc., 132, 15542-43 (2010)

Jiang, X., Engelhard, M., Ataka, K. & Heberle, J.
‘Molecular Impact of the Membrane Potential on the Regulatory Mechanism of Proton Transfer in Sensory Rhodopsin II  
J. Am. Chem. Soc. 132, 10808-15 (2010)

Ataka, K., Kottke, T. & Heberle, J.
‘Thinner, Smaller, Faster: IR Techniques To Probe the Functionality of Biological and Biomimetic Systems ’ 
Angew. Chem. Int. Ed. 49, 5416 - 5424 (2010)

Ataka, K., Kottke, T.& Heberle, J.
‘Dünner, kleiner, schneller - wie die IR-Spektroskopie zur Aufklärung des Funktionsmechanismus biologischer und biomimetischer Systeme beiträgt ’ 
Angew. Chem. 122, 5544 - 5553 (2010)

Radu I, Budyak IL, Hoomann T, Kim YJ, Engelhard M, Labahn J, Büldt G, Heberle J; Schlesinger R.
‘Signal relay from sensory rhodopsin I to the cognate transducer HtrI: Assessing the critical change in hydrogen-bonding between Tyr-210 and Asn-53 ’ 
Biophysical Chemistry 150, 23–28 (2010)

Nack M, Radu I, Gossing M, Bamann C, Bamberg E, von Mollard GF, Heberle J.
‘The DC gate in Channelrhodopsin-2: crucial hydrogen bonding interaction between C128 and D156 ’ 
Photochem Photobiol Sci. 9, 194-198 (2010)


Krassen H, Schwarze A, Friedrich B, Ataka K, Lenz O, Heberle J.
‘Photosynthetic Hydrogen Production by a Hybrid Complex of Photosystem I and [NiFe]-Hydrogenase ’ 
ACS Nano. 3, 4055-4061(2009)

Radu I, Schleeger M, Bolwien C, Heberle J.
‘Time-resolved methods in biophysics. 10. Time-resolved FT-IR difference spectroscopy and the application to membrane proteins ’ 
Photochem Photobiol Sci. 8, 1517-1528 (2009)

Nack, M; Radu; I.; Bamann, C.; Bamberg, E.;Heberle, J.
‘The retinal structure of channelrhodopsin-2 assessed by resonance Raman spectroscopy 
FEBS Letters 583, 3676–3680 (2009)

Bahlawane, N., Ngamou, P.H., Vannier, V., Kottke, T., Heberle, J.& Kohse-Höinghaus, K.
‘Tailoring the properties and the reactivity of the spinel cobalt oxide ’  
PhysChemChemPhys 11, 9224-9232 (2009)

Schleeger, M., Wagner, C., Vellekoop, M., Lendl, B., & Heberle, J.
‘Time-Resolved Flow-Flash FT-IR Difference Spectroscopy: The Kinetics of CO-Photodissociation from Myoglobin Revisited ’  
Anal.Bioanal.Chem.394, 1869-1877 (2009)
An erratum to this article can be found at

Radu, I., Bamann, C., Nack, M., Nagel, G., Bamberg, E., & Heberle, J.
‘Conformational Changes of Channelrhodopsin-2 ’  
J. Am. Chem. Soc. 131, 7313-7319 (2009)

Krassen, H., Stripp, S., von Abendroth, G., Ataka, K., Happe, T., & Heberle, J.
‘Immobilization of the [FeFe]-Hydrogenase CrHydA1 on a Gold Electrode: Design of a Catalytic Surface for the Production of Molecular Hydrogen ’  
 J. Biotec. 142, 3-9 (2009)

Hiromoto T, Ataka K, Pilak O, Vogt S, Stagni MS, Meyer-Klaucke W, Warkentin E, Thauer RK, Shima S, Ermler U.
‘The crystal structure of C176A mutated [Fe]-hydrogenase suggests an acyl-iron ligation in the active site iron complex. ’
FEBS Lett. 583, 585-590 (2009)

Pfeifer, A., Majerus, T., Zikihara, K., Matsuoka, D., Tokutomi, S., Heberle, J., & Kottke, T.
‘Time-Resolved Fourier Transform Infrared Study on Photoadduct Formation and Secondary Structural Changes within the Phototropin LOV Domain ’ 
Biophys. J. 96 , 1462-1470 (2009)


Jiang, X., Zaitseva, E., Schmidt, M., Siebert,F., Engelhard, M., Schlesinger, R., Ataka, K., Vogel, R., & Heberle, J.
‘Resolving voltage-dependent structural changes of a membrane photoreceptor by surface-enhanced IR difference spectroscopy ’  
Proc. Natl. Acad. Sci. USA 105, 12113-12117 (2008)

Ataka, K., Heberle, J.,
‘Bioenergetics at the gold surface: SEIRAS probes photosynthetic and respiratory reactions at the monolayer level ’  
Biochem. Soc. Trans. 36, 986-991 (2008)

Jiang, X., Zuber, A., Heberle, J., Ataka, K.
‘ In situ monitoring of the orientated assembly of strep-tagged membrane proteins on the gold surface by surface-enhanced infrared absorption spectroscopy ’
PhysChemChemPhys 10, 6381-6387 (2008)

Jiang, X., Ataka, K. & Heberle, J.,
‘ Influence of the Molecular Structure of Carboxyl Terminated Self-Assembled Monolayer on the Electron Transfer of Cytochrome C Adsorbed on an Au Electrode: in-Situ Observation by Surface Enhanced Infrared Absorption Spectroscopy ’
J. Phys. Chem. C. 112, 813-819 (2008)


Mironova, O. S., Budyak, I. L., Büldt, G., Schlesinger, R., & Heberle, J.,
‘ FT-IR Difference Spectroscopy Elucidates Crucial Interactions of Sensory Rhodopsin I with the Cognate Transducer HtrI. ’,
Biochemistry 46, 9399-9405 (2007)

Majerus, T., Kottke, T., Laan, W., Hellingwerf, K., & Heberle, J.,
‘ Time-Resolved FT-IR Spectroscopy Traces Signal Relay within the Blue-Light Receptor AppA. ’,
ChemPhysChem. 8, 1787-1789 (2007)

Immeln, D., Schlesinger, R., Heberle, J., & Kottke, T.,
‘ Blue Light Induces Radical Formation and Autophosphorylation in the Light-sensitive Domain of Chlamydomonas Cryptochrome. ’,
J. Biol. Chem. 282, 21720–21728 (2007)

Gmelin, W., Zeth, K., Efremov, R., Heberle, J., Tittor, J., & Oesterhelt, D.,
‘ The Crystal Structure of the L1 Intermediate of Halorhodopsin at 1.9 Å Resolution. ’,
Photochem. Photobiol. 83, 369–377 (2007)

Haber-Pohlmeier, S., Abarca-Heidemann, K., Körschen, H.G., Kaur Dhiman, H., Heberle, J., Schwalbe, H., Klein-Seetharaman, J., Kaupp, U.B., & Pohlmeier, A.
‘ Binding of Ca2+ to glutamic acid-rich polypeptides from the rod outer segment. ’,
Biophys. J. 92, 3207–3214 (2007)

Ataka, K., & Heberle, J.,
‘ Biochemical applications of surface-enhanced infrared absorption spectroscopy. ’,
Anal. Bioanal. Chem. 388, 47–54 (2007)

Poetsch, A., Berzborn, R.J., Heberle, J., Link, T.A., Dencher, N.A., & Seelert, H.,
‘ Biophysics and Bioinformatics Reveal Structural Differences of the Two Peripheral Stalk Subunits in Chloroplast ATP Synthase. ’,
J. Biochem. 141, 411–420 (2007)


Badura, A., Esper, B., Ataka, K., Grunwald, C., Wöll, C.,Kuhlmann, J., Heberle, J.& Rögner, M.,
‘ Light-Driven Water Splitting for (Bio-)Hydrogen Production: Photosystem 2 as the Central Part of a Bioelectrochemical Device ’,
Photochem. Photobiol. 82, 1385–1390

Mulkidjanian, A.Y., Heberle, J., & Cherepanov, D.A.,
‘Protons @ interfaces: Implications for biological energy conversion’,
Biochim. Biophys. Acta 1757, 913-930

Hrabakova, J., Ataka, K., Heberle , J., Hildebrandt, P., & Murgida, D.,
‘Long distance electron transfer in cytochrome c oxidase immobilised on electrodes. A surface enhanced resonance Raman spectroscopic study’,
Phys. Chem. Chem. Phys. 8, 759 - 766

Pereira, M.M., Sousa, F.L., Teixeira, M., Nyquist, R.M., & Heberle, J.,
‘A tyrosine residue deprotonates during oxygen reduction by the caa3 reductase from Rhodothermus marinus’,
FEBS Letters 580, 1350–1354

Kottke, T., Ahmad, M., Batschauer, A., & Heberle, J.,
‘Blue-Light-Induced Changes in Arabidopsis Cryptochrome 1 Probed by FTIR Difference Spectroscopy’,
Biochemistry 45, 2472-2479

Ataka, K., Richter, B., & Heberle, J.,
‘Orientational control on the physiological reaction of cytochrome c oxidase tethered to a gold electrode’,
J. Phys. Chem. B. 110, 9339-9347

Kottke, T., Dick, B., Hegemann, P., & Heberle, J.,
‘The Photochemistry of the LOV Domains in the Algal Blue Light Receptor Phot’,
Biopolymers 82, 373-378

Ataka, K., & Heberle, J.,
‘Use of Surface Enhanced Infrared Absorption Spectroscopy (SEIRA) to probe the functionality of a protein monolayer’,
Biopolymers 82, 415-419

Gensch, T., Heberle, J., Viappiani, C. (2006) eds.,
'Special Issue on: ‘Proton transfer in biological systems’,
Photochem Photobiol Sci 5, 529-530

Efremov, R., Gordelyi, V. I., Heberle, J., & Büldt, G.,
‘Time-resolved microspectroscopy on a single crystal of bacteriorhodopsin reveals lattice induced differences in the photocycle kinetics’,
Biophys. J. 91, 1441–1451


Mulkidjanian, A.Y., Cherepanov, D.A., Heberle, J., & Junge, W.,
‘Proton transfer dynamics at membrane/water interface and mechanism of biological energy conversion’,
Biochemistry (Mosc). 70, 251-256

Heberle, J.,
'Vibrational spectroscopy explores the photoreaction of LOV domains'
Light Sensing in Plants (edited by Wada, M., Simazaki, K., & Iino, M.), Springer, Berlin, pp. 155-161

Mironova, O. S., Efremov, R. G., Person, B., Heberle, J.,Budyak, I. L., Büldt, G., & R. Schlesinger,
‘Functional characterization of sensory rhodopsin II from Halobacterium salinarum expressed in Escherichia coli’,
FEBS Lett. 579, 3147-3151

Habuchi, S., Cotlet, M., Gensch, T., Bednarz, T., Haber-Pohlmeier, S., Rozenski, J., Dirix, G., Michiels, J., Vanderleyden, J., Heberle, J., De Schryver, F.C., & Hofkens, J.
‘Cis-trans Isomerization and Decarboxylation in the Photoconversion of the Red Fluorescent Protein DsRed’,
J. Am. Chem. Soc. 127, 8977-8984

Mayer, D., Ataka, K., Heberle, J. & Offenhäusser, A.,
‘Scanning Probe Microscopic Studies of the Oriented Attachment and Membrane Reconstitution of Cytochrome c oxidase to a Gold Electrode,
Langmuir 21, 8580-8583

Heberle, J.,
‘The dynamics of proton transfer across bacteriorhodopsin explored by FT-IR spectroscopy'
Biophysical and Structural Aspects of Bioenergetics (edited by Wikström, M), Royal Society of Chemistry, CambridgeUK, pp. 249-267


Heberle, J., & Ataka, K.,
´SEIDAS: Oberflächenverstärkte IR-Differenzspektroskopie zur funktionellen Untersuchung von Proteinmonolagen,
BIOspektrum 10, 42-44

Nyquist, R.M., Ataka, K., & Heberle, J.,
´The Molecular Mechansism of Membrane Proteins Probed by Evanescent Infrared Waves´,
ChemBioChem 3, 431-436

Bednarz, T., Losi, A., Gärtner, W., Hegemann, P. & Heberle, J.,
‘Functional variations among LOV domains as revealed by FTIR difference spectroscopy’,
Photochem. Photobiol. Sci. 3, 575-579

Ataka, K., & Heberle, J.,
‘Functional vibrational spectroscopy of a cytochrome c monolayer: SEIDAS probes the interaction with different surface modified electrodes’,
J. Am. Chem. Soc. 126, 9445-9457

Heberle, J.,
‘A local area network of protonated water molecules’,
Biophys. J. 87, 2105-2106

Gieß, F., Friedrich, M., Heberle, J., Naumann, R., Knoll, W.,
‘The Protein Tethered Lipid Bilayer – a novel mimic of the biological membrane’,
Biophys. J. 87, 3213-3220

Friedrich, M., Gieß, F., Naumann, R., Knoll, W., Ataka, K., Heberle, J., Hrabakova, J., Murgida, D., & Hildebrandt, P.,
‘Active site structure and redox processes of cytochrome c oxidase immobilised in a novel biomimetic lipid membrane on an electrode’,
Chem. Comm. 21, 2376 –2377

Laan, W., Bednarz, T., Heberle, J., & Hellingwerf, K.,
‘Chromophore composition of a heterologously expressed BLUF-domain’,
Photochem. Photobiol. Sci. 3, 1011-1016

Ataka, K., Giess, F., Knoll, W., Naumann, R., Haber-Pohlmeier, S., Richter, B., & Heberle, J.,
‘Oriented attachment and membrane reconstitution of His-tagged cytochrome c oxidase to a gold electrode: in-situ monitoring by Surface Enhanced Infrared Absorption Spectroscopy’,
J. Am. Chem. Soc. 126, 16199-16206


Ataka, K., Hegemann, P., & Heberle, J.,
´Vibrational Spectroscopy of an Algal Phot-LOV1 Domain Probes the Molecular Changes Associated with Blue-light Reception´,
Biophys. J. 84, 466-474

Kottke, T., Heberle, J., Hehn, D., Dick, B., & Hegemann, P.,
´Phot LOV1: Photocycle of a Blue Light Receptor Domain from the Green Alga Chlamydomonas reinhardtii´,
Biophys. J. 84, 1192-1201

Gordeliy, V.I., Schlesinger, R., Efremov, R., Büldt, G., Heberle, J.,
´Crystallization in lipidic cubic phases: A case study with Bacteriorhodopsin ´
In: Methods in Molecular Biology Vol. 228: Membrane Protein Protocols: Expression, Purification, and Crystallization (edited by B. Selinsky), Humana Press,
Totowa,NJ, pp. 305-316

Haker, A., Hendriks, J., van Stokkum, I.H.M., Heberle, J., Hellingwerf, K.J.,Crielaard, W., & Gensch, T.,
´The Two Photocycles of Photoactive Yellow Protein from Rhodobacter sphaeroides´,
J. Biol. Chem. 278, 8442-8451

Ataka, K., & Heberle, J.,
´Electrochemically induced Surface Enhanced Infrared Difference Absorption (SEIDA) spectroscopy of a protein monolayer´,
J. Am. Chem. Soc. 125, 4986-4987

Nyquist, R.M., Heitbrink, D., Bolwien, C., Gennis, R.B. & Heberle, J.,
´Direct Observation of Protonation Reactions during the Catalytic Cycle of Cytochrome c Oxidase´,
Proc. Natl. Acad. Sci. USA 100, 8715-8720

Lepke, S., Heberle, J., & Passow, H.,
´The Band 3 Protein: Anion Exchanger and Anion-Proton Cotransporter’ in: Red Cell Membrane Transport in Health and Disease (edited by Bernhardt, I. & Ellory, J.C.), Springer, Berlin, pp. 221-252

Poetsch, A., Rexroth, S., Heberle, J., Link, T.A., Dencher, N.A., & Seelert, H.,
´Characterisation of subunit III and its oligomer from spinach chloroplast ATP synthase´,
Biochim. Biophys. Acta 1618, 59-66


Heitbrink, D., Bolwien, C., Sigurdsson, H., Brzesinski, P. & Heberle, J.,
´Transient binding of CO to CuB in cytochrome c oxidase is dynamically linked to structural changes around a carboxyl group: a time-resolved step-scan Fourier transform infrared investigation´,
Biophys. J. 82, 1-10

Büldt, G., & Heberle, J.,
´Biological Nanomachines´, in: Soft matter: Complex materials on mesocopic scale, Schriften des Forschungszentrums Jülich, Vol. 10, B15

Tittor, J., Paula, S., Subramaniam, S., Heberle, J., Henderson, R. & Oesterhelt, D.,
´Proton translocation by Bacteriorhodopsin in the Absence of Substantial Conformational Changes´,
J. Mol. Biol. 319, 555-565

Friedrich, T., Geibel, S., Ataka, K., Kalmbach, R., Chizov, I., Heberle, J., Engelhard, M., & Bamberg, E.,
´Proteorhodopsin is a Light-driven Proton Pump with Variable Vectoriality´,
J. Mol. Biol. 321, 821-838


Heberle,J., & Gensch, T.,
´When FT-IR spectroscopy meets X-ray crystallography´,
Nature Struct. Biol. 8, 195-197

Zscherp, C., Schlesinger, R., & Heberle, J.,
´Time-resolved FT-IR Spectroscopic Investigation of the pH-dependent Proton Transfer Reactions in the E194Q Mutant of Bacteriorhodopsin´,
Biochem. Biophys. Res. Comm. 283, 57-63

Nyquist, R.M., Heitbrink, D., Bolwien, C., Wells, T.A., Gennis, R.B. & Heberle, J.,
´Perfusion-induced redox differences in cytochrome c oxidase: ATR-FTIR spectroscopy´,
FEBS Lett. 505, 63-67


von Bergen, M., Friedhoff, P., Biernat, J., Heberle, J., Mandelkow, E.-M., Mandelkow, E.
´Assembly of t protein into Alzheimer paired helical filaments depends on a local sequence motif (306VQIVYK311) forming beta structure`,
Proc. Natl. Acad. Sci. USA 97, 5129-5134

Heberle, J. *,
´Proton Transfer Reactions Across Bacteriorhodopsin and Along the Membrane`,
Biochim. Biophys. Acta 1458, 135-147

Heberle, J., Fitter, J., Sass, H.J. & Büldt, G. *,
´Bacteriorhodopsin: The functional details of a molecular machine are being resolved´,
Biophys. Chem. 85, 229-248

Fitter, J. & Heberle, J.,
´Structural equilibrium fluctuations and thermal stability of mesophilic and thermophilic a-amylase´,
Biophys. J. 79, 1629-1636

Zscherp, C., Schlesinger, R., Tittor, J., Oesterhelt, D., & Heberle, J.,
´In-situ Determination of Transient pKa Changes of Internal Amino Acids of Bacteriorhodopsin using Time-Resolved Attenuated Total Reflection Fourier-Transform Infrared Spectroscopy ´,
Proc. Natl. Acad. Sci. USA 96, 5498-5503

Büldt, G., Heberle, J., Schlesinger, R. & Sass, H.J. *,
´Structure, dynamics, and function of the proton pump bacteriorhodopsin´,
in: Methods in Protein Structure Analysis (Ed. Roza, Maria Kamp), Springer Verlag, Berlin, pp. 225-239

Heberle, J. *,
`Time-resolved ATR/FT-IR spectroscopy of Membrane Proteins`,
Recent Research Developments in Applied Spectroscopy (S. G. Pandalai, ed.), Research Signpost, Trivandrum, pp. 147-159

Heberle, J., Büldt, G., Koglin, E., Rosenbusch, J. P., & Landau, E. M.,
´Assessing the Functionality of a Membrane Protein in a Three-Dimensional Crystal´,
J. Mol. Biol. 281, 587-592

Büldt, G., Heberle, J., Dencher, N.A. & Sass, H.J.,
´Structure, dynamics, and function of bacteriorhodopsin´,
J. Protein Chem. 17, 536-538

Zscherp, C., & Heberle, J.,
´Infrared difference spectra of the intermediates L, M, N, and O of the Bacteriorhodopsin photoreaction obtained by time-resolved attenuated total reflection spectroscopy´,
J. Phys. Chem. 101, 10542-10547

Heberle, J., & Zscherp, C.,
´pH-dependence of proton transfer reactions within Bacteriorhodopsin: A time-resolved ATR/FT-IR study´,
in: Spectroscopy of Biological Molecules, Modern Techniques (Ed. P. Carmona, et al.), Kluwer Academic Publishers, Dordrecht, Niederlande, pp. 117-118

Riesle, J., Oesterhelt, D., Dencher, N.A. & Heberle, J.,
´D38 is an essential part of the proton translocation pathway in Bacteriorhodopsin´,
Biochemistry 35, 6635-6643

Heberle, J., & Zscherp, C.,
´ATR/FT-IR difference spectroscopy of biological matter with microsecond time resolution´,
Appl. Spectrosc. 50, 588-596

Zscherp, C., Büldt, G., & Heberle, J.,
´Time-resolved ATR/FT-IR measurements of the Bacteriorhodopsin photocycle´, in: Spectroscopy of Biological Molecules (Ed. J.C. Merlin, et al.), Kluwer Academic Publishers, Dordrecht, Niederlande, pp. 177-178

Hoffmann, A., Hildebrandt, V., Heberle, J. & Büldt, G.,
´Photoactive mitochondria: In vivo transfer of a light-driven proton pump into the inner mitochondrial membrane of Schizosaccharomyces pombe´,
Proc. Natl. Acad. Sci. USA 91, 9367-9371

Heberle, J., Riesle, J., Thiedemann, G., Oesterhelt, D. & Dencher, N.A.,
´Proton migration along the membrane surface and retarded surface to bulk transfer´,
Nature 370, 379-382

Heberle, J., Oesterhelt, D. & Dencher, N.A.,
´Decoupling of photo- and proton cycle in the Asp85Glu mutant of Bacteriorhodopsin´,
EMBO J. 12, 3721-3727

Hildebrandt, V., Fendler, K., Heberle, J., Hoffmann, A., Bamberg, E. & Büldt, G.,
´Bacteriorhodopsin expressed in Schizosaccharomyces pombe pumps protons through the plasma membrane´,
Proc. Natl. Acad. Sci. USA 90, 3578-3582

Heberle, J. & Dencher, N.A.,
´Surface-bound optical probes monitor proton translocation and surface potential changes during the Bacteriorhodopsin photocycle´,
Proc. Natl. Acad. Sci. USA 89, 5996-6000

Heberle, J. & Dencher, N.A.,
´Proton transfer in the light-harvesting membrane protein bacteriorhodopsin - An investigation with optical pH-indicators´,
in: Proton Transfer in Hydrogen-Bonded Systems (Ed. T. Bountis), NATO ASI Series B Physics, Vol. 291, Plenum Press, New York, pp. 187-197

Heberle J. & Dencher, N.A.,
´The surface of the purple membrane: A transient pool for protons ?´,
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Dencher, N.A., Büldt, G., Heberle, J., Höltje, H.-D. & Höltje, M.,
´Light-triggered opening and closing of an hydrophobic gate controls vectorial proton transfer across Bacteriorhodopsin´,
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Dencher, N.A., Heberle, J., Büldt, G., Höltje, H.-D. & Höltje, M.,
´What do neutrons, X-ray synchrotron radiation, optical pH-indicators, and mutagenesis tell us about the light-driven proton pump Bacteriorhodopsin ?´,
in: Membrane Proteins: Structures, Interactions and Models (Eds. Pullmann et al.), Kluwer Academic Publishers, Dordrecht, Niederlande, pp. 69-84

Dencher, N.A., Heberle, J., Büldt, G., Höltje, H.-D. & Höltje, M.,
´Active and passive proton transfer steps through Bacteriorhodopsin are controlled by a light-triggered hydrophobic gate´,
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Thiedemann, G., Heberle, J. & Dencher, N.A.,
´Bacteriorhodopsin pump activity at reduced humidity´,
in: Structures and Functions of Retinal Proteins (Ed. J.L. Rigaud), Colloque INSERM/John Libbey Eurotext Ltd., Vol. 221, pp. 217-220

Dencher, N.A., Heberle, J., Bark, C., Koch, M.H.J., Rapp, G., Oesterhelt, D., Bartels, K. & Büldt, G.,
´Proton translocation and conformational changes during the Bacteriorhodopsin photocycle: Time-resolved studies with membrane-bound optical probes and X-ray diffraction´,
Photochem. Photobiol. 54, 881-887

Heberle, J. & Dencher, N.A. (1990),
´Bacteriorhodopsin in ice - Accelerated proton transfer from the purple membrane surface´,
FEBS Lett. 277, 277-280