T. Wagner

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Regioselective reactions of isothiocyanates with the titanocenevinylidene fragment[Ti(CCH2)(η-C5Me5)2]. Crystal and molecular structure of[Ti{SC(NC6H11)CCH2}(η-C5Me5)2]

R. Beckhaus, Javier Sang, T. Wagner, 1997 .

Nannocystin A: an Elongation Factor 1 Inhibitor from Myxobacteria with Differential Anti-Cancer Properties.

Nathan T. Ross, Trixie Wagner, Francesca Perruccio, 2015, Angewandte Chemie.

The discovery of novel potent trans-3,4-disubstituted pyrrolidine inhibitors of the human aspartic protease renin from in silico three-dimensional (3D) pharmacophore searches.

E. Jacoby, N. Ostermann, U. Hassiepen, 2013, Journal of medicinal chemistry.

Interconversion Rates between Conformational States as Rationale for the Membrane Permeability of Cyclosporines.

B. Keller, S. Riniker, A. Meissner, 2017, Chemphyschem : a European journal of chemical physics and physical chemistry.

Tautomerism in 5,8-Diaza-7,9-dicarbaguanine (‘Alloguanine’)†

A. Eschenmoser, Bo Han, T. Wagner, 2005 .

Lead optimization of spiropyrazolopyridones: a new and potent class of dengue virus inhibitors.

Paul W Smith, P. Shi, A. Chao, 2015, ACS medicinal chemistry letters.

Small Molecule-facilitated Degradation of ANO1 Protein

J. Jenkins, L. A. Gaither, O. Popa, 2014, The Journal of Biological Chemistry.

New Derivatives of Ascomycin with Modifications in the Amino Acid Region – Synthesis and Biological Activities, and X‐Ray Crystal Structure of 5,6‐Dehydroascomycin

P. Hiestand, T. Wagner, C. Rochais, 2009 .

Discovery of amino-acetonitrile derivatives, a new class of synthetic anthelmintic compounds.

R. Kaminsky, T. Wagner, N. Gauvry, 2008, Bioorganic & medicinal chemistry letters.

Discovery and Optimization of DNA Gyrase and Topoisomerase IV Inhibitors with Potent Activity against Fluoroquinolone-Resistant Gram-Positive Bacteria.

Sarah L. Williams, D. Bussiere, X. Ling, 2021, Journal of medicinal chemistry.

Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors.

N. Ostermann, T. Kanazawa, D. Rigel, 2014, ACS medicinal chemistry letters.

Novel immunomodulator FTY720 is phosphorylated in rats and humans to form a single stereoisomer. Identification, chemical proof, and biological characterization of the biologically active species and its enantiomer.

E. Francotte, M. Zollinger, V. Brinkmann, 2005, Journal of medicinal chemistry.

trans-(3S,4S)-Disubstituted pyrrolidines as inhibitors of the human aspartyl protease renin. Part I: prime site exploration using an amino linker.

N. Ostermann, E. Francotte, C. Ehrhardt, 2015, Bioorganic & medicinal chemistry letters.

Hemilabile P,O-ligands in palladium catalysed C–C linkages: codimerization of ethylene and styrene and cooligomerization of ethylene and carbon monoxide

G. Britovsek, S. Mecking, T. Wagner, 1993 .

Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate.

J. Fozard, T. Keller, David Beer, 2012, Journal of medicinal chemistry.

C-26 vs. C-27 hydroxylation of insect steroid hormones: regioselectivity of a microsomal cytochrome P450 from a hormone-resistant cell line.

T. Wagner, P. Piéchon, H. Kayser, 2011, Archives of biochemistry and biophysics.

Hexakis(but‐3‐inyl)benzol

T. Wagner, Hans‐W. Marx, D. Astruc, 1996 .

Discovery and Optimization of Novel SUCNR1 Inhibitors: Design of Zwitterionic Derivatives with a Salt Bridge for the Improvement of Oral Exposure.

R. Wilcken, F. Villard, S. Cotesta, 2020, Journal of medicinal chemistry.

Optimization of the In Vivo Potency of Pyrazolopyrimidine MALT1 Protease Inhibitors by Reducing Metabolism and Increasing Potency in Whole Blood.

M. Renatus, M. Wartmann, S. Melkko, 2020, Journal of medicinal chemistry.

Discovery of 1H-pyrazolo[3,4-b]pyridines as potent dual orexin receptor antagonists (DORAs).

M. Fendt, S. Hintermann, D. Hoyer, 2015, Bioorganic & medicinal chemistry letters.

Structural analysis of metastable pharmaceutical loratadine form II, by 3D electron diffraction and DFT+D energy minimisation

J. V. D. Streek, M. Gemmi, S. Nicolopoulos, 2020 .

On the reactivity of ascomycin at the binding domain. Part 3: Reactivity of the binding domain towards diazomethane

T. Wagner, M. Bacher, K. Baumann, 2005 .

On the reactivity of ascomycin at the binding domain. Part 2: Hydroxide mediated rearrangement reactions

T. Wagner, M. Bacher, K. Baumann, 2004 .

A publicly available crystallisation data set and its application in machine learning

Jerome G. P. Wicker, Richard I. Cooper, Trixie Wagner, 2017 .

Optimization of 3-Pyrimidin-4-yl-oxazolidin-2-ones as Allosteric and Mutant Specific Inhibitors of IDH1.

Michael D. Jones, B. Firestone, R. Pagliarini, 2017, ACS medicinal chemistry letters.

Hexakis(but-3-ynyl)benzene†

T. Wagner, Hans‐W. Marx, D. Astruc, 1996 .

Conformational refinement of hydroxamate-based histone deacetylase inhibitors and exploration of 3-piperidin-3-ylindole analogues of dacinostat (LAQ824).

P. Atadja, E. Francotte, W. Shao, 2010, Journal of medicinal chemistry.

Reactivity of Acetylenes toward the Titanocene Vinylidene Fragment [Cp*2TiCCH2]. Formation of Methylenetitanacyclobutenes and Vinyltitanium Acetylides. Crystal and Molecular Structures of Cp*2TiCR‘CR‘‘CCH2 (R‘ = R‘‘ = CH3; R‘ = SiMe3, R‘‘ = C6H5) and Cp*2Ti(CHCH2)(C⋮CPh)

R. Beckhaus, Javier Sang, T. Wagner, 1996 .

A Detailed Investigation on Conformation, Permeability and PK Properties of Two Related Cyclohexapeptides

T. Vorherr, M. Schaefer, T. Wagner, 2015, International Journal of Peptide Research and Therapeutics.

Spirotetrahydro β-Carbolines (Spiroindolones): A New Class of Potent and Orally Efficacious Compounds for the Treatment of Malaria

Trixie Wagner, Philipp Krastel, Frank Petersen, 2010, Journal of medicinal chemistry.

A Novel Approach to Ferrocenes with Planar Chirality

T. Wagner, C. Ganter, 1995 .

Aryldiones incorporating a [1,4,5]oxadiazepane ring. Part I: Discovery of the novel cereal herbicide pinoxaden.

T. Wagner, T. Niderman, F. Cederbaum, 2009, Bioorganic & medicinal chemistry.

Use of intensity quotients and differences in absolute structure refinement

S. Parsons, H. Flack, T. Wagner, 2013, Acta crystallographica Section B, Structural science, crystal engineering and materials.

Deprotonation of the complexes [Ru(arene)Cp]+PF6− (arene = C6Me6 and fluorene): X-ray crystal structure of [Ru(η5-C6Me5CH2)Cp] and determination of the pKa values using the iron analogues

D. Astruc, T. Wagner, C. Casado, 1995 .

Discovery of tetrahydropyrazolopyrimidine carboxamide derivatives as potent and orally active antitubercular agents.

Shi Hua Ang, Paul W Smith, K. Kuhen, 2013, ACS medicinal chemistry letters.

Synthesis and Structure of the First Transition Metal Borylene Complexes

H. Braunschweig, T. Wagner, 1995 .

Synthesis of Substituted Pyrrolo[3,4‐a]carbazoles

H. Otto, T. Wagner, Michaela Bleile, 2005 .

Applications of leverage analysis in structure refinement

P. Wood, S. Parsons, O. Presly, 2012 .

Nucleophilic Addition of Secondary Phosphines to Cationic Dienyl Tricarbonyliron Complexes: A novel Route to Optically Active Phosphines.

T. Wagner, U. Englert, A. Salzer, 1996, Chemistry.

From crystal to crystal: A reconstructive solid-state reaction

T. Wagner, U. Englert, G. Herberich, 1994 .

IMPROVED PREPARATION OF ANHYDROUS LANTHANIDE CHLORIDES UNDER MILD CONDITIONS

G. Lugli, D. Dell'amico, F. Calderazzo, 1995 .

New Preparative Methods for the Halides of Titanium(II) and Vanadium(II): Reduction of Titanium(IV) Halides with Sodium and Oxidation of Bis(mesitylene)vanadium(0)

F. Calderazzo, G. Pampaloni, G. Benedetto, 1996 .

Ring-modified analogues and molecular dynamics studies to probe the requirements for fungicidal activities of malayamycin A and its N-nucleoside variants.

M. Nina, S. Hanessian, T. Wagner, 2007, The Journal of organic chemistry.

Organometallic Aqua Complexes, III. Olefin Aqua Complexes of Rhodium(I)

T. Wagner, U. Kölle, Ralf Goerissen, 1995 .

Borole derivatives XXI, 2,5-diphenyl-2,5,-dihydro-1H-boroles; strctures of tert-butyl-2,5,-diphenyl-2,5-dihydro-1H-borole and of bis(tmeda) lithium 2,5-diphenyl-2,5-dihydro-1H-borolediide☆

T. Wagner, G. Herberich, H.-W. Marx, 1995 .

Alkyne Adducts of [Cp*Ru(SR)]2 and Intermediates of the Ruthenium Catalyzed Formation of Vinyl Thioethers (Z/E)-RSCR':CHR'' from RSH and R'C.tplbond.CR''

T. Wagner, U. Englert, U. Koelle, 1995 .

C*Ru-Thiolkomplexe, II[1]. Adduktbildung in [Cp*RuII(π-SR)]2 und [Cp*Ru(C6F5)(μ-SC6F5)(μ-S)RuCp*]. Molekülstruktur von cis-[Cp*Ru(μ2-StBu)(CO)]2 und [Cp*Ru(C6F5)(μ-SC6F5)(μ-S)RuCp*]

U. Englert, T. Wagner, U. Kölle, 1993 .

Organoimido complexes of tungsten-(VI) and-(V): correlation between relativeorientation of π-donor ligands and electron configuration of themetal

T. Wagner, U. Ruschewitz, L. Wesemann, 1997 .

Reactions at the B–B Bond of Tri‐tert‐butylazadiboriridine NB2R3: Ring Extensions

T. Wagner, U. Englert, Ellen Eversheim, 2001 .

Automated chiral method screening - Evaluation of generated chromatographic data sets to further optimize screening efficiency.

G. Schlotterbeck, T. Wagner, Nadine Schneider, 2021, Journal of chromatography. A.

Borabenzene derivatives. 21. 2,4-Pentadienylboranes as key intermediates of a novel route to boracyclohexadienes and boratabenzenes. Structure of [Li(TMPDA)](C5H5BNMe2)

T. Wagner, U. Englert, B. Schmidt, 1993 .

Tetranuclear (Borole)rhodium Clusters with Hydrido and Methylthiolato Ligands − Structures of [{Rh(C4H4BMe)}4(µ3‐H)(µ3‐I)3] and of [{Rh(C4H4BPh)}2(µ‐SMe)(µ3‐SMe)]2 (2 Rh−Rh)

T. Wagner, G. Herberich, Ruimin Wang, 2004 .

Packing effects in organometallic compounds: A study of five mixed crystals

T. Wagner, U. Englert, 1997 .

Reversible Topotactic Hydration and Dehydration of an Europium Complex [1]

T. Wagner, U. Englert, W. Kläui, 1998 .

Orally bioavailable isothioureas block function of the chemokine receptor CXCR4 in vitro and in vivo.

Trixie Wagner, Jiri Kovarik, M. Streiff, 2008, Journal of medicinal chemistry.

A non-mathematical introduction to the superspace description of modulated structures.

T. Wagner, A. Schönleber, 2009, Acta crystallographica. Section B, Structural science.

Special ergolines are highly selective, potent antagonists of the chemokine receptor CXCR3: discovery, characterization and preliminary SAR of a promising lead.

Trixie Wagner, Wolfgang Blum, M. Streiff, 2009, Bioorganic & medicinal chemistry letters.

Can picolinamide be a promising cocrystal former

Richard A. Lewis, M. Schmidt, H. C. S. Chan, 2014 .

Kinetic Models of Cyclosporin A in Polar and Apolar Environments Reveal Multiple Congruent Conformational States

Marie-Claude Blatter, Sereina Riniker, Jagna Witek, 2016, J. Chem. Inf. Model..

Structure of the RXR–RAR DNA‐binding complex on the retinoic acid response element DR1

S. Khorasanizadeh, Qiang Zhao, F. Rastinejad, 2000, The EMBO journal.

FR171456 is a specific inhibitor of mammalian NSDHL and yeast Erg26p

Mathias Frederiksen, S. Reinker, S. Schuierer, 2015, Nature Communications.

Antimicrobial selaginellin derivatives from Selaginella pulvinata.

G. Zeng, N. Tan, Ji-Jun Chen, 2010, Bioorganic & medicinal chemistry letters.

Comparison of the Kinase Profile of Midostaurin (Rydapt) with That of Its Predominant Metabolites and the Potential Relevance of Some Newly Identified Targets to Leukemia Therapy.

P. Furet, P. Manley, G. Caravatti, 2018, Biochemistry.

Discovery of Icenticaftor (QBW251), a Cystic Fibrosis Transmembrane Conductance Regulator Potentiator with Clinical Efficacy in Cystic Fibrosis and Chronic Obstructive Pulmonary Disease.

Paul J. Groot-Kormelink, D. Rowlands, H. Danahay, 2021, Journal of medicinal chemistry.

Crystallization and preliminary X-ray diffraction data of Mycobacterium tuberculosis FbpC1 (Rv3803c).

G. Besra, K. Harris, B. Kariuki, 2003, Acta crystallographica. Section D, Biological crystallography.

A cyclic carbo-isosteric penta-depsipeptide: cyclo(Phe1–d-Ala2–Gly3–Phe4–APO5)

Stéphanie M. Guéret, T. Wagner, 2015, Acta crystallographica. Section E, Crystallographic communications.

A novel class of oral direct renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.

Eric Vangrevelinghe, Markus Krömer, Edgar Jacoby, 2013, Journal of medicinal chemistry.

Structure of KNbOB2O5--a commensurately modulated structure.

S. Schmid, T. Wagner, 2005, Acta crystallographica. Section B, Structural science.

Difluoromethylcobalamin: Structural Aspects of an Old Tree with a New Branch.

H. L. Carrell, J. Glusker, C. Afshar, 1999, Inorganic chemistry.

Synthesis and Structure of 1‐Aza‐ and 1‐Phospha‐2‐titanacyclobut‐4‐enes

R. Beckhaus, T. Wagner, I. Strauß, 1995 .

Discovery of 2-oxopiperazine dengue inhibitors by scaffold morphing of a phenotypic high-throughput screening hit.

G. Bonamy, Qing-yin Wang, Hongping Dong, 2017, Bioorganic & medicinal chemistry letters.

A practical building block for the synthesis of discodermolide

T. Wagner, O. Loiseleur, G. Koch, 2004 .

Derivatives of Aza-nido-tetraborane and Diaza-arachno-pentaborane from Tri-tert-butylazadiboriridine

T. Wagner, U. Englert, Matthias Müller, 1995 .

Integrated and Automated High-Throughput Purification of Libraries on Microscale.

Jonathan E. Grob, T. Wagner, J. Reilly, 2022, SLAS technology.

Phosphorylation by Sphingosine Kinase 2 is Essential for in vivo Potency of FTY720 Analogues

P. Nussbaumer, M. Streiff, C. Pally, 2008, ChemMedChem.

The importance of configurational disorder in crystal structure prediction: the case of loratadine.

R. Davey, Grahame R. Woollam, T. Wagner, 2018, Faraday discussions.

Novel 2,7-dialkyl-substituted 5(S)-amino-4(S)-hydroxy-8-phenyl-octanecarboxamide transition state peptidomimetics are potent and orally active inhibitors of human renin.

C. Schnell, J. Wood, N. Cohen, 2007, Journal of medicinal chemistry.

Determination of Absolute Stereochemistry of Flexible Molecules Using a Vibrational Circular Dichroism Spectra Alignment Algorithm

Sereina Riniker, Trixie Wagner, Dominik Sidler, 2019, J. Chem. Inf. Model..

Diboran(4)yl Groups as Ligands to Transition Metals

H. Braunschweig, T. Wagner, M. Koster, 1996 .

Quantitative and functional characterisation of extracellular vesicles after passive loading with hydrophobic or cholesterol-tagged small molecules.

S. Hintermann, C. Matea, C. Huber, 2023, Journal of controlled release : official journal of the Controlled Release Society.

DAST-mediated cyclization of α,α-disubstituted-α-acylaminoketones: efficient and divergent synthesis of unprecedented heterocycles.

T. Wagner, O. Loiseleur, A. Bigot, 2011, Organic letters.