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selected project relevant publications:

P1Siegrist J, Netzer J, Mordhorst S, Karst L, Gerhardt S, Einsle O, Richter M, Andexer JN (2017) Functional and structural characterisation of a bacterial O-methyltransferase and factors determining regioselectivity. FEBS Letters 591, No.2, 312:321.
 Siegrist J, Aschwanden S, Mordhorst S, Thöny-Meyer L, Richeter M, Andexer JN (2015) Regiocomplementary O-Methylation of Catechols by Using Three-Enzyme Cascades. ChemBioChem, 16, 2576–2579.
 Andexer JN, Richter M (2015) Emerging Enzymes for ATP Regeneration in Biocatalytic Processes. ChemBioChem, 16, 380–386.
 Schlesier J, Siegrist J, Gerhardt S, Blaesi S, Erb A, Richter M, Einsle O, Andexer JN (2013) Structural and functional characterisation of the methionin adenosyltransferase from Thermococcus kodakarensis. Bmc Struct Biol, 13:22
P2Andrade SLA, Cruz F, Drennan CL, Ramakrishnan V, Rees DC, Ferry JG and Einsle O, (2005) Structures of the Iron-Sulfur Flavoproteins from Methanosarcina thermophila and Archaeoglobus fulgidus, J Bacteriol,187:3848-3854.
 Andrade SLA, Brondino CD, Feio MJ, Moura I and Moura JJG, (2000) Aldehyde oxidoreductase Activity in Desulfovibrio alaskensis NCIMB 13491 - EPR Structural Assignment of the [2Fe-2S] Cluster to the Mo site, Eur J Biochem, 267:2054-2061.
P3Maier S, Heitzler T, Asmus K, Brötz E, Hardter U, Hesselbach K, Paululat T, Bechthold A (2015)
Functional Characterization of Different ORFs IncludingLuciferase-Like Monooxygenase Genes from the Mensacarcin Gene Cluster. Chembiochem. 26;16(8):1175-82.
 Tam HK, Härle J, Gerhardt S, Rohr J, Thorson JS, Bigot A, Lutterbeck M, Seiche W, Breit B, Bechthold A, Einsle O (2015) Structural Characterization of O- and C-glycosylating variants of the landomycin glycosyltransferase LanGT2. Angewandte. 54(9): 2811-2815.
 Maier S, Pflüger T, Loesgen S, Asmus K, Brötz E, Paululat T, Zeeck A, Bechthold A (2014) Novel insights into the bioactivity and epoxide formation in mensacarcin by MsnO8. ChemBioChem 15(5):749-56
P4Weinert T, Huwiler SG, Kung JW, Weidenweber S, Hellwig P, Stärk HJ, Biskup T, Weber S, Cotelesage JJ, George GN, Ermler U, Boll M (2015) Structural basis of enzymatic benzene ring reduction. Nat Chem Biol. 2015 11:586-91.
 Warnke M, Jung T, Dermer J, Hipp K, Jehmlich N, von Bergen M, Ferlaino S, Fries A, Müller M, Boll M (2015) 25-Hydroxyvitamin D3 Synthesis by Enzymatic Steroid Side-Chain Hydroxylation with Water. Angew Chem Int Ed Engl. 2015 Dec 22. doi: 10.1002/anie.201510331.
P5Rees JA, Björnsson R, Schlesier J, Sippel D, Einsle O & DeBeer S (2015) The Fe-V cofactor of vanadium nitrogenase contains an interstitial carbon atom. Angew. Chem. Intl. Ed., 54, 13249-13252.
 Burger EM, Andrade SLA & Einsle O (2015) Active sites without restraints: high-resolution analysis of metal cofactors. Curr. Op. Struct. Biol. 35, 32-40.
 Hermann B, Kern M, La Pietra L, Simon J & Einsle O (2015) The octahaem MccA is a haem c–copper sulfite reductase. Nature, 520, 706-709.
 Rumpf T, Schiedel M, Karaman B, Roessler C, North BJ, Lehotzky A, Ladwein KI, Schmidtkunz K, Gaier M, Pannek M, Steegborn C, Sinclair DA, Gerhardt S, Ovádi J, Schutkowski M, Sippl W, Einsle O & Jung M (2015) Selective Sirt2-inhibition by ligand-induced rearrangement of the active site. Nature Comm., 6, 6263.
 Rycovska-Blume A, Lü W, Andrade S, Fendler K & Einsle O (2015) Structural and functional studies of NirC from Salmonella typhimurium. Meth. Enzymol., 556, 475-497.
 Tam HK, Härle J, Gerhardt S, Rohr J, Wang G, Thorson JS, Bigot A, Lutterbeck M, Seiche W, Breit B, Bechthold A & Einsle O (2015) Structural characterization of O- and C-glycosylating landomycin glycosyltransferases. Angew. Chem. Intl. Ed., 54, 2811-2815.
 Björnsson R, Delgado-Jaime MU, Lima FA, Sippel D, Schlesier J, Weyhermüller T, Einsle O, Neese F & DeBeer S (2015) Molybdenum L-Edge XAS Spectra of MoFe Nitrogenase. Z. Allg. Anorg. Chem., 641, 65-71.
 Spatzal T, Perez KA, Einsle O, Howard JB & Rees DC (2014) Ligand binding to the FeMo-cofactor: Structures of CO-bound and reactivated nitrogenase. Science, 345, 1620-1623.
 Huber T, Schneider L, Präg A, Gerhardt S, Einsle O & Müller M (2014) Direct reductive amination of ketones: Structure and Activity of S-Selective Imine Reductases from Streptomyces. ChemCatChem, 6, 2248-2252.
 Frick E, Spatzal T, Gerhardt S, Krämer A, Einsle O & Hüttel W (2014) Structural and functional characterization of 4-hydroxyphenylpyruvate dioxygenase from the thermoacidophilic archaeon Picrophilus torridus. Extremophiles, 18, 641-651.
P6De Vries S, Dörner K, Strampraad MFJ, Friedrich T (2015) Electron tunneling Rates in Complex I Are Tuned for Efficient Energy Conversion. Angew. Chem. Int. Ed., 54, 2844-2848.
 Friedrich T (2014) On the mechanism of respiratory complex I. J. Bioenerg. Biomembr. 46, 255-268.
P7Hügle M, Lucas X, Weitzel G, Ostrovskyi D, Breit B, Gerhardt S, Einsle O, Günther S, Wohlwend D (2016) 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).J Med Chem. 2016 Jan 14.
 Lucas X, Wohlwend D, Hügle M, Schmidtkunz K, Gerhardt S, Schüle R, Jung M, Einsle O, Günther S. (2013) 4-Acyl Pyrroles: Mimicking Acetylated Lysines in Histone Code Reading. Angew Chem Int Ed Engl.;52:14055-14059.
 Lucas X, Simon S, Schubert R, Günther S. (2013) Discovery of the Inhibitory Effect of a Phosphatidylinositol Derivative on P-Glycoprotein by Virtual Screening Followed by In Vitro Cellular Studies. PLoS One;8:e60679.
P8Mazzaferro LS, Hüttel W, Fries A, Müller M (2015) Cytochrome P450-Catalyzed Regio- and Stereoselective Phenol Coupling of Fungal Natural Products, J. Am. Chem. Soc., 137, 12289–12295.
 Hüttel W, Spencer JB, Leadlay PF (2014) Intermediates in Monensin Biosynthesis: A Late Step in Biosynthesis of the Polyether Ionophore Monensin Is Crucial for the Integrity of Cation Binding; Beilstein J. Org. Chem., 10, 361–368.
 Houwaart S, Youssar L, Hüttel W (2014) Pneumocandin Biosynthesis: Involvement of a trans-Selective Proline Hydroxylase, ChemBioChem, 15, 2365–2369.
 Frick E, Spatzal T, Gerhardt S, Krämer A, Einsle O, Hüttel W (2014) Structural and Functional Characterization of 4-Hydroxyphenylpyruvate Dioxygenase from the Thermoacidophilic Archaeon Picrophilus torridus. Extremophiles, 18, 641–651.
P9Mir SH, Escher C, Kao WC, Birth D, Wirth C, Hunte C (2015) Generation of recombinant antibody fragments for membrane protein crystallization. Methods Enzym. 557, 201-218
 Chauvet AA, Al Haddad A, Kao WC, van Mourik F, Hunte C, Chergui M (2015) Photo-induced dynamics of the heme centers in the cytochrome bc1. Phys. Chem. Chem. Phys. 17 (3), 2143-2151
 Birth D, Kao WC, Hunte C (2014) Structural analysis of atovaquone-inhibited cytochrome bc1 complex reveals the molecular basis of antimalarial drug action. Nat. Comm. 5, 4029; doi: 10.1038/ncomms5029.
P10Karaman B, Jung M, Sippl W (2015) Structure-based design and computational studies of sirtuin inhibitors. Epi-Informatics: Discovery and Development of Small Molecule Epigenetic Drugs and Probes Using Computational Approaches, Ed. J. Medina-Franco; Elsevier.
 Stolfa DA, Marek M, Lancelot J, Hauser AT, Walter A, Leproult E, Melesina J, Rumpf T, Wurtz JM, Cavarelli J, Sippl W, Pierce RJ, Romier C, Jung M. (2014) Molecular basis for the anti-parasitic activity of a mercaptoacetamide derivative that inhibits histone deacetylase 8 (HDAC8) from the human pathogen Schistosoma mansoni. J. Mol. Biol. in press
 Lancelot J, Caby S, Dubois-Abdesselem F, Vanderstraete M, Trolet J, Oliveira G, Bracher F, Jung M, Pierce RJ. (2013) Schistosoma mansoni sirtuins: characterization and potential as chemotherapeutic targets. PLoS Negl. Trop. Dis. 7, e2428
P11Lehwald P, Fuchs O, Nafie LA, Müller M, Lüdeke S (2016) Substrate-Determined Diastereoselectivity in an Enzymatic Carboligation. ChemBioChem, 17 (13), 1207:1210.
 Haas J, Schätzle MA, Husain SM, Schulz-Fincke J, Jung M, Hummel W, Müller M, Lüdeke S (2016) A quinone mediator drives oxidations catalysed by alcohol dehydrogenase-containing cell lysates. Chem Commun (Camb.), 52 (29), 5198:5201.
 Husain SM, Schätzle MA, Lüdeke S, Müller M (2014) Unprecedented Role of Hydronaphthoquinone Tautomers in Biosynthesis. Angew. Chem. Int. Ed.:DOI: 10.1002/anie.201404560.
 Häckh M, Müller M, Lüdeke S (2013) Substrate-Dependent Stereospecificity of Tyl-KR1: An Isolated Polyketide Synthase Ketoreductase Domain from Streptomyces fradiae. (Translated from English) Chem. Eur. J. 19(27):8922–8928
P12Mazzaferro LS, Hüttel W, Fries A, Müller M (2015) Cytochrome P450-Catalyzed Regio- and Stereoselective Phenol Coupling of Fungal Natural Products, J. Am. Chem. Soc., 137, (doi.org/10.1021/jacs.5b06776).
 Conradt D, Schätzle MA, Haas J, Townsend CA, Müller M (2015) New Insights into the Conversion of Versicolorin A in the Biosynthesis of Aflatoxin B1, J. Am. Chem. Soc., 137, 10867–10869.
 Huber T, Schneider L, Präg A, Gerhardt S, Einsle O, Müller M (2014) Direct Reductive Amination of Ketones: Structure and Activity of (S)-Selective Imine Reductases from Streptomyces, ChemCatChem, 6, 2248–2252.
 Präg A, Grüning BA, Erxleben A, Häckh M, Lüdeke S, Luzhetskyy A, Richter M, Luzhetska M, Günther S,  Müller M. (2014) Regio- and Stereoselective Intermolecular Oxidative Phenol Coupling in Streptomyces, J. Am. Chem. Soc. 2014, 136.
P13Nohr D, Rodriguez R, Weber S & Schleicher E (2015) How can EPR spectroscopy help to unravel molecular mechanisms of flavin-dependent photoreceptors? Front Mol Biosci. Sep 1;2:49. doi: 10.3389/fmolb.2015.00049.
 Paulus B,Bajzath C, Melin F, Heidinger L, Kromm V, Herkersdorf C, Benz U, Mann L, Stehle P, Hellwig P, Weber S & Schleicher E (2015) Spectroscopic characterization of radicals and radical pairs in fruit fly cryptochrome – protonated and nonprotonated flavin radical-states, FEBS Journal 282, 3175–3189.
 Biskup T, Paulus A, Okafuji A, Hitomi K, Getzoff ED, Weber S, Schleicher E (2013) Variable electron transfer pathways in an amphibian cryptochrome. Tryptophan versus tyrosine-based radical pairs. J Biol Chem 288:9249–9260.


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