Portrait Hartmut Oschkinat

Prof. Dr.

Hartmut Oschkinat

Structural characterisation of protein-protein interactions responsible for the reception and transduction of signals in biological systems, and their disruption by small molecules. Protein domains which recognize peptides with characteristic motifs, proteins involved in protein homeosthasis, structural investigations on membrane proteins and cytoskeleton-attached proteins by solid state NMR.
More than 180 publications in the fields of protein structure and NMR methods development.  More than 50 structures deposited in the PDB. Among those are first structures of the PH- and WW-domains. Development of small molecular inhibitors of interactions of PDZ domains. First assignment of protein resonances on the basis of solid-state NMR data, first structure of a protein by solid-state NMR. Structure of a fibril formed by a WW-domain at atomic resolution. Structure of alphaB-crystallin oligomers by solid-state NMR and SAXS. Applications of dynamic nuclear polarisation to large biological complexes. Structure of the dark-adapted form of bacteriorhodopsin by solution NMR.


Structural Biology


Oschkinat Group


FMP
FU Berlin

Curriculum Vitae

2009 – 2011

Acting Director

FMP

since 1998

Head of the department "NMR-supported Structural Biology“ at the FMP, Professor of Structural Chemistry at the Free University in Berlin

FMP, FU Berlin

1992 – 1998

Group leader. Work on structure and function of signalling domains

EMBL, Heidelberg

1987 – 1991

Position as NMR-spectroscopist, first in the Clore/Gronenborn group, later independently in the department of Prof. Huber. Pulse sequence development, 3D-NMR

Max-Planck-Institute for Biochemistry (Martinsried)

NMR quality control of fragment libraries for screening.

  • Hartmut Oschkinat

Journal of biomolecular NMR 2020

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MAS NMR detection of hydrogen bonds for protein secondary structure characterization.

  • Hartmut Oschkinat

Journal of biomolecular NMR 2020

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Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi.

  • Hartmut Oschkinat

Journal of structural biology 2020

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Collective exchange processes reveal an active site proton cage in bacteriorhodopsin.

  • Hartmut Oschkinat

Communications biology 2020

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pH-Dependent Protonation of Surface Carboxylate Groups in PsbO Enables Local Buffering and Triggers Structural Changes.

  • Hartmut Oschkinat

Chembiochem : a European journal of chemical biology 2020

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Innentitelbild: Pigmentierungschemie und radikalbasierter Kollagenabbau bei Alkaptonurie und Arthrose (Angew. Chem. 29/2020)

  • Wing Ying Chow; Brendan P. Norman; Norman B. Roberts; Lakshminarayan R. Ranganath; Christian Teutloff; Robert Bittl; Melinda J. Duer; James A. Gallagher; Hartmut Oschkinat

Angewandte Chemie 2020

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Pigmentation Chemistry and Radical‐Based Collagen Degradation in Alkaptonuria and Osteoarthritic Cartilage

  • Wing Ying Chow; Brendan P. Norman; Norman B. Roberts; Lakshminarayan R. Ranganath; Christian Teutloff; Robert Bittl; Melinda J. Duer; James A. Gallagher; Hartmut Oschkinat

Angewandte Chemie International Edition 2020

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Pigmentierungschemie und radikalbasierter Kollagenabbau bei Alkaptonurie und Arthrose

  • Wing Ying Chow; Brendan P. Norman; Norman B. Roberts; Lakshminarayan R. Ranganath; Christian Teutloff; Robert Bittl; Melinda J. Duer; James A. Gallagher; Hartmut Oschkinat

Angewandte Chemie 2020

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Inside Cover: Pigmentation Chemistry and Radical‐Based Collagen Degradation in Alkaptonuria and Osteoarthritic Cartilage (Angew. Chem. Int. Ed. 29/2020)

  • Wing Ying Chow; Brendan P. Norman; Norman B. Roberts; Lakshminarayan R. Ranganath; Christian Teutloff; Robert Bittl; Melinda J. Duer; James A. Gallagher; Hartmut Oschkinat

Angewandte Chemie International Edition 2020

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Structural changes of TasA in biofilm formation of Bacillus subtilis.

  • Hartmut Oschkinat

Proceedings of the National Academy of Sciences of the United States of America 2018

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Essential but sparse collagen hydroxylysyl post-translational modifications detected by DNP NMR.

  • Hartmut Oschkinat

Chemical communications (Cambridge, England) 2018

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RIP2 filament formation is required for NOD2 dependent NF-κB signalling.

  • Hartmut Oschkinat

Nature communications 2018

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DNP NMR of biomolecular assemblies.

  • Hartmut Oschkinat

Journal of structural biology 2018

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iNEXT: a European facility network to stimulate translational structural biology.

  • Hartmut Oschkinat

FEBS letters 2018

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The protofilament architecture of a de novo designed coiled coil-based amyloidogenic peptide.

  • Hartmut Oschkinat

Journal of structural biology 2018

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Efficiency of Water-Soluble Nitroxide Biradicals for Dynamic Nuclear Polarization in Rotating Solids at 9.4 T: bcTol-M and cyolyl-TOTAPOL as New Polarizing Agents.

  • Hartmut Oschkinat

Chemistry (Weinheim an der Bergstrasse, Germany) 2018

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Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR.

  • Hartmut Oschkinat

PLoS biology 2018

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Understanding the roles of functional peptides in designing apatite and silica nanomaterials biomimetically using NMR techniques

  • Hartmut Oschkinat

Current Opinion in Colloid & Interface Science 2018

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Structural insight into protein-aided bacterial biofilm formation

  • Hartmut Oschkinat

Acta Crystallographica Section A Foundations and Advances 2018

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Dynamic Nuclear Polarization Enhanced MAS NMR Spectroscopy for Structural Analysis of HIV-1 Protein Assemblies.

  • Hartmut Oschkinat

The journal of physical chemistry. B 2016

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Studying the Conformation of a Silaffin-Derived Pentalysine Peptide Embedded in Bioinspired Silica using Solution and Dynamic Nuclear Polarization Magic-Angle Spinning NMR.

  • Hartmut Oschkinat

Journal of the American Chemical Society 2016

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bcTol : a highly water-soluble biradical for efficient dynamic nuclear polarization of biomolecules.

  • Hartmut Oschkinat

Chemical communications (Cambridge, England) 2016

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Structural basis for the dissociation of α-synuclein fibrils triggered by pressure perturbation of the hydrophobic core.

  • Hartmut Oschkinat

Scientific reports 2016

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Dynamic Nuclear Polarization Provides New Insights into Chromophore Structure in Phytochrome Photoreceptors.

  • Hartmut Oschkinat

Angewandte Chemie (International ed. in English) 2016

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Temperature dependence of cross-effect dynamic nuclear polarization in rotating solids: advantages of elevated temperatures.

  • Hartmut Oschkinat

Physical chemistry chemical physics : PCCP 2016

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Structural analysis of a signal peptide inside the ribosome tunnel by DNP MAS NMR.

  • Hartmut Oschkinat

Science advances 2016

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Multifunctional Benzoxazines Feature Low Polymerization Temperature and Diverse Polymer Structures.

  • Hartmut Oschkinat

Polymers 2016

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On The Potential of Dynamic Nuclear Polarization Enhanced Diamonds in Solid-State and Dissolution (13) C NMR Spectroscopy.

  • Hartmut Oschkinat

Chemphyschem : a European journal of chemical physics and physical chemistry 2016

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Chemical shift assignments and secondary structure prediction for Q4DY78, a conserved kinetoplastid-specific protein from Trypanosoma cruzi.

  • Hartmut Oschkinat

Biomolecular NMR assignments 2016

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Quantitative and Qualitative Analysis of Surface Modified Cellulose Utilizing TGA-MS.

  • Hartmut Oschkinat

Materials (Basel, Switzerland) 2016

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Surface Binding of TOTAPOL Assists Structural Investigations of Amyloid Fibrils by Dynamic Nuclear Polarization NMR Spectroscopy.

  • Hartmut Oschkinat

Chembiochem : a European journal of chemical biology 2016

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Structural biology applications of solid state MAS DNP NMR.

  • Hartmut Oschkinat

Journal of magnetic resonance (San Diego, Calif. : 1997) 2016

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The mechanism of denaturation and the unfolded state of the α-helical membrane-associated protein Mistic.

  • Hartmut Oschkinat

Journal of the American Chemical Society 2013

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Dynamic nuclear polarization of spherical nanoparticles.

  • Hartmut Oschkinat

Physical chemistry chemical physics : PCCP 2013

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Preferential and specific binding of human αB-crystallin to a cataract-related variant of γS-crystallin.

  • Kingsley CN; Brubaker WD; Markovic S; Diehl A; Brindley AJ; Oschkinat H; Martin RW

Structure (London, England : 1993) 2013

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The clip-segment of the von Willebrand domain 1 of the BMP modulator protein Crossveinless 2 is preformed.

  • Fiebig JE; Weidauer SE; Qiu LY; Bauer M; Schmieder P; Beerbaum M; Zhang JL; Oschkinat H; Sebald W; Mueller TD

Molecules (Basel, Switzerland) 2013

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Lipophilic prodrugs of a triazole-containing colchicine analogue in liposomes: biological effects on human tumor cells.

  • Kuznetsova NR; Svirshchevskaya EV; Sitnikov NS; Abodo L; Sutorius H; Zapke J; Velder J; Thomopoulou P; Oschkinat H; Prokop A; Schmalz HG; Fedorov AY; Vodovozova EL

Bioorganicheskaia khimiia 2013

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A well-defined Pd hybrid material for the Z-selective semihydrogenation of alkynes characterized at the molecular level by DNP SENS.

  • Conley MP; Drost RM; Baffert M; Gajan D; Elsevier C; Franks WT; Oschkinat H; Veyre L; Zagdoun A; Rossini A; Lelli M; Lesage A; Casano G; Ouari O; Thieuleux C

Chemistry (Weinheim an der Bergstrasse, Germany) 2013

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Reduced activity of alkaline phosphatase due to host-guest interactions with humic superstructures.

  • Mazzei P; Oschkinat H; Piccolo A

Chemosphere 2013

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Out-and-back 13C-13C scalar transfers in protein resonance assignment by proton-detected solid-state NMR under ultra-fast MAS.

  • Barbet-Massin E; Pell AJ; Jaudzems K; Franks WT; Retel JS; Kotelovica S; Akopjana I; Tars K; Emsley L; Oschkinat H; Lesage A; Pintacuda G

Journal of biomolecular NMR 2013

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A Floquet description of phase alternated sequences for efficient homonuclear recoupling in solid perdeuterated systems.

  • Jayanthi S; Akbey Ü; Uluca B; Oschkinat H; Vega S

Journal of magnetic resonance (San Diego, Calif. : 1997) 2013

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Improved dynamic nuclear polarization surface-enhanced NMR spectroscopy through controlled incorporation of deuterated functional groups.

  • Zagdoun A; Rossini AJ; Conley MP; Grüning WR; Schwarzwälder M; Lelli M; Franks WT; Oschkinat H; Copéret C; Emsley L; Lesage A

Angewandte Chemie (International ed. in English) 2013

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Dynamic nuclear polarization enhanced NMR in the solid-state.

  • Akbey U; Franks WT; Linden A; Orwick-Rydmark M; Lange S; Oschkinat H

Topics in current chemistry 2013

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Developing DNP/Solid-State NMR Spectroscopy of Oriented Membranes

  • Hartmut Oschkinat

Applied Magnetic Resonance 2012

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High-Temperature Dynamic Nuclear Polarization Enhanced Magic-Angle-Spinning NMR

  • Hartmut Oschkinat

Applied Magnetic Resonance 2012

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In support of the BMRB.

  • Markley JL; Akutsu H; Asakura T; Baldus M; Boelens R; Bonvin A; Kaptein R; Bax A; Bezsonova I; Gryk MR; Hoch JC; Korzhnev DM; Maciejewski MW; Case D; Yokoyama S

Nature structural & molecular biology 2012

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Fast passage dynamic nuclear polarization on rotating solids.

  • Mentink-Vigier F; Akbey U; Hovav Y; Vega S; Oschkinat H; Feintuch A

Journal of magnetic resonance (San Diego, Calif. : 1997) 2012

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Efficient modeling of symmetric protein aggregates from NMR data.

  • Bardiaux B; van Rossum BJ; Nilges M; Oschkinat H

Angewandte Chemie (International ed. in English) 2012

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Broadband excitation pulses for high-field solid-state nuclear magnetic resonance spectroscopy.

  • Loening NM; van Rossum BJ; Oschkinat H

Magnetic resonance in chemistry : MRC 2012

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Practical aspects of high-sensitivity multidimensional ¹³C MAS NMR spectroscopy of perdeuterated proteins.

  • Akbey U; Rossum BJ; Oschkinat H

Journal of magnetic resonance (San Diego, Calif. : 1997) 2012

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Antigen 85C inhibition restricts Mycobacterium tuberculosis growth through disruption of cord factor biosynthesis.

  • Warrier T; Tropis M; Werngren J; Diehl A; Gengenbacher M; Schlegel B; Schade M; Oschkinat H; Daffe M; Hoffner S; Eddine AN; Kaufmann SH

Antimicrobial agents and chemotherapy 2012

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The effect of biradical concentration on the performance of DNP-MAS-NMR.

  • Lange S; Linden AH; Akbey U; Franks WT; Loening NM; van Rossum BJ; Oschkinat H

Journal of magnetic resonance (San Diego, Calif. : 1997) 2012

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Characterization of membrane proteins in isolated native cellular membranes by dynamic nuclear polarization solid-state NMR spectroscopy without purification and reconstitution.

  • Jacso T; Franks WT; Rose H; Fink U; Broecker J; Keller S; Oschkinat H; Reif B

Angewandte Chemie (International ed. in English) 2012

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Rapid solid-state NMR of deuterated proteins by interleaved cross-polarization from ¹H and ²H nuclei.

  • Bjerring M; Paaske B; Oschkinat H; Akbey U; Nielsen NC

Journal of magnetic resonance (San Diego, Calif. : 1997) 2012

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A comparison of NCO and NCA transfer methods for biological solid-state NMR spectroscopy.

  • Loening NM; Bjerring M; Nielsen NC; Oschkinat H

Journal of magnetic resonance (San Diego, Calif. : 1997) 2012

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Solid-state magic-angle spinning NMR of membrane proteins and protein-ligand interactions.

  • Franks WT; Linden AH; Kunert B; van Rossum BJ; Oschkinat H

European journal of cell biology 2012

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Enhanced Resolution and Coherence Lifetimes in the Solid-State NMR Spectroscopy of Perdeuterated Proteins under Ultrafast Magic-Angle Spinning

  • Hartmut Oschkinat

The Journal of Physical Chemistry Letters 2011

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Neurotoxin II bound to acetylcholine receptors in native membranes studied by dynamic nuclear polarization NMR.

  • Linden AH; Lange S; Franks WT; Akbey U; Specker E; van Rossum BJ; Oschkinat H

Journal of the American Chemical Society 2011

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Three-dimensional deuterium-carbon correlation experiments for high-resolution solid-state MAS NMR spectroscopy of large proteins.

  • Lalli D; Schanda P; Chowdhury A; Retel J; Hiller M; Higman VA; Handel L; Agarwal V; Reif B; van Rossum B; Akbey U; Oschkinat H

Journal of biomolecular NMR 2011

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A software framework for analysing solid-state MAS NMR data.

  • Stevens TJ; Fogh RH; Boucher W; Higman VA; Eisenmenger F; Bardiaux B; van Rossum BJ; Oschkinat H; Laue ED

Journal of biomolecular NMR 2011

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Cryogenic temperature effects and resolution upon slow cooling of protein preparations in solid state NMR.

  • Linden AH; Franks WT; Akbey Ü; Lange S; van Rossum BJ; Oschkinat H

Journal of biomolecular NMR 2011

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SNARE motif-mediated sorting of synaptobrevin by the endocytic adaptors clathrin assembly lymphoid myeloid leukemia (CALM) and AP180 at synapses.

  • Koo SJ; Markovic S; Puchkov D; Mahrenholz CC; Beceren-Braun F; Maritzen T; Dernedde J; Volkmer R; Oschkinat H; Haucke V

Proceedings of the National Academy of Sciences of the United States of America 2011

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Triple resonance cross-polarization for more sensitive 13C MAS NMR spectroscopy of deuterated proteins.

  • Akbey U; Camponeschi F; van Rossum BJ; Oschkinat H

Chemphyschem : a European journal of chemical physics and physical chemistry 2011

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Discovery, structure-activity relationship studies, and crystal structure of nonpeptide inhibitors bound to the Shank3 PDZ domain.

  • Saupe J; Roske Y; Schillinger C; Kamdem N; Radetzki S; Diehl A; Oschkinat H; Krause G; Heinemann U; Rademann J

ChemMedChem 2011

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Optimal (2)H rf Pulses and (2)H-(13)C Cross-Polarization Methods for Solid-State (2)H MAS NMR of Perdeuterated Proteins.

  • Wei D; Akbey Ü; Paaske B; Oschkinat H; Reif B; Bjerring M; Nielsen NC

The journal of physical chemistry letters 2011

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Proton-detected solid-state NMR spectroscopy of fibrillar and membrane proteins.

  • Linser R; Dasari M; Hiller M; Higman V; Fink U; Lopez del Amo JM; Markovic S; Handel L; Kessler B; Schmieder P; Oesterhelt D; Oschkinat H; Reif B

Angewandte Chemie (International ed. in English) 2011

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N-terminal domain of alphaB-crystallin provides a conformational switch for multimerization and structural heterogeneity.

  • Jehle S; Vollmar BS; Bardiaux B; Dove KK; Rajagopal P; Gonen T; Oschkinat H; Klevit RE

Proceedings of the National Academy of Sciences of the United States of America 2011

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The structure of MESD45-184 brings light into the mechanism of LDLR family folding.

  • Köhler C; Lighthouse JK; Werther T; Andersen OM; Diehl A; Schmieder P; Du J; Holdener BC; Oschkinat H

Structure (London, England : 1993) 2011

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Radio frequency assisted homonuclear recoupling - a Floquet description of homonuclear recoupling via surrounding heteronuclei in fully protonated to fully deuterated systems.

  • Leskes M; Akbey U; Oschkinat H; van Rossum BJ; Vega S

Journal of magnetic resonance (San Diego, Calif. : 1997) 2011

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Intermolecular protein-RNA interactions revealed by 2D 31P-15N magic angle spinning solid-state NMR spectroscopy.

  • Jehle S; Falb M; Kirkpatrick JP; Oschkinat H; van Rossum BJ; Althoff G; Carlomagno T

Journal of the American Chemical Society 2010

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Dynamic nuclear polarization of deuterated proteins.

  • Akbey Ü; Franks WT; Linden A; Lange S; Griffin RG; van Rossum BJ; Oschkinat H

Angewandte Chemie (International ed. in English) 2010

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Addressing protein-protein interactions with small molecules: a Pro-Pro dipeptide mimic with a PPII helix conformation as a module for the synthesis of PRD-binding ligands.

  • Zaminer J; Brockmann C; Huy P; Opitz R; Reuter C; Beyermann M; Freund C; Müller M; Oschkinat H; Kühne R; Schmalz HG

Angewandte Chemie (International ed. in English) 2010

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Solid-state NMR and SAXS studies provide a structural basis for the activation of alphaB-crystallin oligomers.

  • Jehle S; Rajagopal P; Bardiaux B; Markovic S; Kühne R; Stout JR; Higman VA; Klevit RE; van Rossum BJ; Oschkinat H

Nature structural & molecular biology 2010

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Azides derived from colchicine and their use in library synthesis: A practical entry to new bioactive derivatives of an old natural drug.

  • Nicolaus N; Zapke J; Riesterer P; Neudörfl JM; Prokop A; Oschkinat H; Schmalz HG

ChemMedChem 2010

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A MAS NMR study of the bacterial ABC transporter ArtMP.

  • Lange V; Becker-Baldus J; Kunert B; van Rossum BJ; Casagrande F; Engel A; Roske Y; Scheffel FM; Schneider E; Oschkinat H

Chembiochem : a European journal of chemical biology 2010

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A novel subtype of AP-1-binding motif within the palmitoylated trans-Golgi network/endosomal accessory protein Gadkin/gamma-BAR.

  • Maritzen T; Schmidt MR; Kukhtina V; Higman VA; Strauss H; Volkmer R; Oschkinat H; Dotti CG; Haucke V

The Journal of biological chemistry 2010

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Optimum levels of exchangeable protons in perdeuterated proteins for proton detection in MAS solid-state NMR spectroscopy.

  • Akbey U; Lange S; Trent Franks W; Linser R; Rehbein K; Diehl A; van Rossum BJ; Reif B; Oschkinat H

Journal of biomolecular NMR 2010

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Double-nucleus enhanced recoupling for efficient 13C MAS NMR correlation spectroscopy of perdeuterated proteins.

  • Akbey U; Oschkinat H; van Rossum BJ

Journal of the American Chemical Society 2009

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Large protein complexes with extreme rotational correlation times investigated in solution by magic-angle-spinning NMR spectroscopy.

  • Mainz A; Jehle S; van Rossum BJ; Oschkinat H; Reif B

Journal of the American Chemical Society 2009

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Regulation of endosomal membrane traffic by a Gadkin/AP-1/kinesin KIF5 complex.

  • Schmidt MR; Maritzen T; Kukhtina V; Higman VA; Doglio L; Barak NN; Strauss H; Oschkinat H; Dotti CG; Haucke V

Proceedings of the National Academy of Sciences of the United States of America 2009

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Assigning large proteins in the solid state: a MAS NMR resonance assignment strategy using selectively and extensively 13C-labelled proteins.

  • Higman VA; Flinders J; Hiller M; Jehle S; Markovic S; Fiedler S; van Rossum BJ; Oschkinat H

Journal of biomolecular NMR 2009

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Large-scale purification of ribosome-nascent chain complexes for biochemical and structural studies.

  • Rutkowska A; Beerbaum M; Rajagopalan N; Fiaux J; Schmieder P; Kramer G; Oschkinat H; Bukau B

FEBS letters 2009

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Loop 3 of short neurotoxin II is an additional interaction site with membrane-bound nicotinic acetylcholine receptor as detected by solid-state NMR spectroscopy.

  • Krabben L; van Rossum BJ; Jehle S; Bocharov E; Lyukmanova EN; Schulga AA; Arseniev A; Hucho F; Oschkinat H

Journal of molecular biology 2009

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NMR structure of the Wnt modulator protein Sclerostin.

  • Weidauer SE; Schmieder P; Beerbaum M; Schmitz W; Oschkinat H; Mueller TD

Biochemical and biophysical research communications 2009

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alphaB-crystallin: a hybrid solid-state/solution-state NMR investigation reveals structural aspects of the heterogeneous oligomer.

  • Jehle S; van Rossum B; Stout JR; Noguchi SM; Falber K; Rehbein K; Oschkinat H; Klevit RE; Rajagopal P

Journal of molecular biology 2009

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Resonance assignment of the RGS domain of human RGS10.

  • Fedorov OY; Higman VA; Schmieder P; Leidert M; Diehl A; Elkins J; Soundararajan M; Oschkinat H; Ball LJ

Journal of biomolecular NMR 2007

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Small-molecule scaffolds for CYP51 inhibitors identified by high-throughput screening and defined by X-ray crystallography.

  • Podust LM; von Kries JP; Eddine AN; Kim Y; Yermalitskaya LV; Kuehne R; Ouellet H; Warrier T; Alteköster M; Lee JS; Rademann J; Oschkinat H; Waterman MR

Antimicrobial agents and chemotherapy 2007

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Structural characterization of a new binding motif and a novel binding mode in group 2 WW domains.

  • Ramirez-Espain X; Ruiz L; Martin-Malpartida P; Oschkinat H; Macias MJ

Journal of molecular biology 2007

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Backbone and sidechain 1H, 13C and 15N resonance assignments of the RGS domain from human RGS14.

  • Dowler EF; Diehl A; Schmieder P; Brockmann C; Elkins J; Soundararajan M; Oschkinat H; Ball LJ

Biomolecular NMR assignments 2007

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J-deconvolution using maximum entropy reconstruction applied to 13C-13C solid-state cross-polarization magic-angle-spinning NMR of proteins.

  • Scholz I; Jehle S; Schmieder P; Hiller M; Eisenmenger F; Oschkinat H; van Rossum BJ

Journal of the American Chemical Society 2007

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Solid-state NMR of matrix metalloproteinase 12: an approach complementary to solution NMR.

  • Balayssac S; Bertini I; Fälber K; Fragai M; Jehle S; Lelli M; Luchinat C; Oschkinat H; Yeo KJ

Chembiochem : a European journal of chemical biology 2007

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The solution structure of the core of mesoderm development (MESD), a chaperone for members of the LDLR-family.

  • Köhler C; Andersen OM; Diehl A; Krause G; Schmieder P; Oschkinat H

Journal of structural and functional genomics 2006

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General structural motifs of amyloid protofilaments.

  • Ferguson N; Becker J; Tidow H; Tremmel S; Sharpe TD; Krause G; Flinders J; Petrovich M; Berriman J; Oschkinat H; Fersht AR

Proceedings of the National Academy of Sciences of the United States of America 2006

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Spectral editing: selection of methyl groups in multidimensional solid-state magic-angle spinning NMR.

  • Jehle S; Hiller M; Rehbein K; Diehl A; Oschkinat H; van Rossum BJ

Journal of biomolecular NMR 2006

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NMR assignment of human RGS18.

  • Higman VA; Leidert M; Diehl A; Elkins J; Soundararajan M; Oschkinat H; Ball LJ

Journal of biomolecular NMR 2006

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Discovery of low-molecular-weight ligands for the AF6 PDZ domain.

  • Joshi M; Vargas C; Boisguerin P; Diehl A; Krause G; Schmieder P; Moelling K; Hagen V; Schade M; Oschkinat H

Angewandte Chemie (International ed. in English) 2006

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High yield expression and purification of isotopically labelled human endothelin-1 for use in NMR studies.

  • Mac TT; Beyermann M; Pires JR; Schmieder P; Oschkinat H

Protein expression and purification 2006

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Solution structure and backbone dynamics of the Trypanosoma cruzi cysteine protease inhibitor chagasin.

  • Salmon D; do Aido-Machado R; Diehl A; Leidert M; Schmetzer O; de A Lima AP; Scharfstein J; Oschkinat H; Pires JR

Journal of molecular biology 2006

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1H, 15N and 13C assignments of the cysteine protease inhibitor chagasin from Trypanosoma cruzi.

  • Aido-Machado Rd; Salmon D; Diehl A; Leidert M; Schmetzer O; de Lima AP; Scharfstein J; Oschkinat H; Pires JR

Journal of biomolecular NMR 2006

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Structural basis for APPTPPPLPP peptide recognition by the FBP11WW1 domain.

  • Pires JR; Parthier C; Aido-Machado Rd; Wiedemann U; Otte L; Böhm G; Rudolph R; Oschkinat H

Journal of molecular biology 2005

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A modified strategy for sequence specific assignment of protein NMR spectra based on amino acid type selective experiments.

  • Schubert M; Labudde D; Leitner D; Oschkinat H; Schmieder P

Journal of biomolecular NMR 2005

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Influence of chemical shift tolerances on NMR structure calculations using ARIA protocols for assigning NOE data.

  • Fossi M; Linge J; Labudde D; Leitner D; Nilges M; Oschkinat H

Journal of biomolecular NMR 2005

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13C-labeled tyrosine residues as local IR probes for monitoring conformational changes in peptides and proteins.

  • Tremmel S; Beyermann M; Oschkinat H; Bienert M; Naumann D; Fabian H

Angewandte Chemie (International ed. in English) 2005

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Detection of dynamic water molecules in a microcrystalline sample of the SH3 domain of alpha-spectrin by MAS solid-state NMR.

  • Chevelkov V; Faelber K; Diehl A; Heinemann U; Oschkinat H; Reif B

Journal of biomolecular NMR 2005

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Studies of the intermediary metabolism in cultured cells of the insect Spodoptera frugiperda using 13C- or 15N-labelled tracers.

  • Adam P; Gütlich M; Oschkinat H; Bacher A; Eisenreich W

BMC biochemistry 2005

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SOLARIA: a protocol for automated cross-peak assignment and structure calculation for solid-state magic-angle spinning NMR spectroscopy.

  • Fossi M; Castellani F; Nilges M; Oschkinat H; van Rossum BJ

Angewandte Chemie (International ed. in English) 2005

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Solid-state magic-angle spinning NMR of outer-membrane protein G from Escherichia coli.

  • Hiller M; Krabben L; Vinothkumar KR; Castellani F; van Rossum BJ; Kühlbrandt W; Oschkinat H

Chembiochem : a European journal of chemical biology 2005

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The solution structure of an N-terminally truncated version of the yeast CDC24p PB1 domain shows a different beta-sheet topology.

  • Leitner D; Wahl M; Labudde D; Krause G; Diehl A; Schmieder P; Pires JR; Fossi M; Wiedemann U; Leidert M; Oschkinat H

FEBS letters 2005

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Quantitative study of the effects of chemical shift tolerances and rates of SA cooling on structure calculation from automatically assigned NOE data.

  • Fossi M; Oschkinat H; Nilges M; Ball LJ

Journal of magnetic resonance (San Diego, Calif. : 1997) 2005

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Recognition of proline-rich motifs by protein-protein-interaction domains.

  • Ball LJ; Kühne R; Schneider-Mergener J; Oschkinat H

Angewandte Chemie (International ed. in English) 2005

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NMR fragment screening: tackling protein-protein interaction targets.

  • Schade M; Oschkinat H

Current opinion in drug discovery & development 2005

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Letter to the Editor:1H,13C and15N Resonance Assignment of the Human Spred2 EVH1 Domain

  • Hartmut Oschkinat

Journal of Biomolecular NMR 2004

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Solution structure, backbone dynamics, and association behavior of the C-terminal BRCT domain from the breast cancer-associated protein BRCA1.

  • Gaiser OJ; Ball LJ; Schmieder P; Leitner D; Strauss H; Wahl M; Kühne R; Oschkinat H; Heinemann U

Biochemistry 2004

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Comparative structural and energetic analysis of WW domain-peptide interactions.

  • Schleinkofer K; Wiedemann U; Otte L; Wang T; Krause G; Oschkinat H; Wade RC

Journal of molecular biology 2004

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1H, 13C and 15N resonance assignments of the C-terminal BRCT domain from human BRCA1.

  • Gaiser OJ; Oschkinat H; Heinemann U; Ball LJ

Journal of biomolecular NMR 2004

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The SEP domain of p47 acts as a reversible competitive inhibitor of cathepsin L.

  • Soukenik M; Diehl A; Leidert M; Sievert V; Büssow K; Leitner D; Labudde D; Ball LJ; Lechner A; Nägler DK; Oschkinat H

FEBS letters 2004

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Quantification of PDZ domain specificity, prediction of ligand affinity and rational design of super-binding peptides.

  • Wiedemann U; Boisguerin P; Leben R; Leitner D; Krause G; Moelling K; Volkmer-Engert R; Oschkinat H

Journal of molecular biology 2004

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The oxidized subunit B8 from human complex I adopts a thioredoxin fold.

  • Brockmann C; Diehl A; Rehbein K; Strauss H; Schmieder P; Korn B; Kühne R; Oschkinat H

Structure (London, England : 1993) 2004

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Towards structure determination of neurotoxin II bound to nicotinic acetylcholine receptor: a solid-state NMR approach.

  • Krabben L; van Rossum BJ; Castellani F; Bocharov E; Schulga AA; Arseniev AS; Weise C; Hucho F; Oschkinat H

FEBS letters 2004

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The solution structure of the N-terminal domain of E3L shows a tyrosine conformation that may explain its reduced affinity to Z-DNA in vitro.

  • Kahmann JD; Wecking DA; Putter V; Lowenhaupt K; Kim YG; Schmieder P; Oschkinat H; Rich A; Schade M

Proceedings of the National Academy of Sciences of the United States of America 2004

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Sulindac-derived Ras pathway inhibitors target the Ras-Raf interaction and downstream effectors in the Ras pathway.

  • Waldmann H; Karaguni IM; Carpintero M; Gourzoulidou E; Herrmann C; Brockmann C; Oschkinat H; Müller O

Angewandte Chemie (International ed. in English) 2004

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The solution structure of the SODD BAG domain reveals additional electrostatic interactions in the HSP70 complexes of SODD subfamily BAG domains.

  • Brockmann C; Leitner D; Labudde D; Diehl A; Sievert V; Büssow K; Kühne R; Oschkinat H

FEBS letters 2004

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Determination of solid-state NMR structures of proteins by means of three-dimensional 15N-13C-13C dipolar correlation spectroscopy and chemical shift analysis.

  • Castellani F; van Rossum BJ; Diehl A; Rehbein K; Oschkinat H

Biochemistry 2003

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Design of N-substituted peptomer ligands for EVH1 domains.

  • Zimmermann J; Kühne R; Volkmer-Engert R; Jarchau T; Walter U; Oschkinat H; Ball LJ

The Journal of biological chemistry 2003

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1H detection in MAS solid-state NMR spectroscopy of biomacromolecules employing pulsed field gradients for residual solvent suppression.

  • Chevelkov V; van Rossum BJ; Castellani F; Rehbein K; Diehl A; Hohwy M; Steuernagel S; Engelke F; Oschkinat H; Reif B

Journal of the American Chemical Society 2003

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Measurement of multiple psi torsion angles in uniformly 13C,15N-labeled alpha-spectrin SH3 domain using 3D 15N-13C-13C-15N MAS dipolar-chemical shift correlation spectroscopy.

  • Ladizhansky V; Jaroniec CP; Diehl A; Oschkinat H; Griffin RG

Journal of the American Chemical Society 2003

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Assignment of amide proton signals by combined evaluation of HN, NN and HNCA MAS-NMR correlation spectra.

  • van Rossum BJ; Castellani F; Pauli J; Rehbein K; Hollander J; de Groot HJ; Oschkinat H

Journal of biomolecular NMR 2003

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Combining SPOT synthesis and native peptide ligation to create large arrays of WW protein domains.

  • Toepert F; Knaute T; Guffler S; Pirés JR; Matzdorf T; Oschkinat H; Schneider-Mergener J

Angewandte Chemie (International ed. in English) 2003

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The ScPex13p SH3 domain exposes two distinct binding sites for Pex5p and Pex14p.

  • Pires JR; Hong X; Brockmann C; Volkmer-Engert R; Schneider-Mergener J; Oschkinat H; Erdmann R

Journal of molecular biology 2003

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WW domain sequence activity relationships identified using ligand recognition propensities of 42 WW domains.

  • Otte L; Wiedemann U; Schlegel B; Pires JR; Beyermann M; Schmieder P; Krause G; Volkmer-Engert R; Schneider-Mergener J; Oschkinat H

Protein science : a publication of the Protein Society 2003

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Characterization of (1)H-(1)H distances in a uniformly (2)H,(15)N-labeled SH3 domain by MAS solid-state NMR spectroscopy (section sign).

  • Reif B; Van Rossum BJ; Castellani F; Rehbein K; Diehl A; Oschkinat H

Journal of the American Chemical Society 2003

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Prediction algorithm for amino acid types with their secondary structure in proteins (PLATON) using chemical shifts.

  • Labudde D; Leitner D; Krüger M; Oschkinat H

Journal of biomolecular NMR 2003

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Biosynthesis of riboflavin in archaea studies on the mechanism of 3,4-dihydroxy-2-butanone-4-phosphate synthase of Methanococcus jannaschii.

  • Fischer M; Romisch W; Schiffmann S; Kelly M; Oschkinat H; Steinbacher S; Huber R; Eisenreich W; Richter G; Bacher A

The Journal of biological chemistry 2002

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2D(13)C-(13)C MAS NMR correlation spectroscopy with mixing by true (1)H spin diffusion reveals long-range intermolecular distance restraints in ultra high magnetic field.

  • de Boer I; Bosman L; Raap J; Oschkinat H; de Groot HJ

Journal of magnetic resonance (San Diego, Calif. : 1997) 2002

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The structures of the active center in dark-adapted bacteriorhodopsin by solution-state NMR spectroscopy.

  • Patzelt H; Simon B; terLaak A; Kessler B; Kühne R; Schmieder P; Oesterhelt D; Oschkinat H

Proceedings of the National Academy of Sciences of the United States of America 2002

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Structure of a protein determined by solid-state magic-angle-spinning NMR spectroscopy.

  • Castellani F; van Rossum B; Diehl A; Schubert M; Rehbein K; Oschkinat H

Nature 2002

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A software tool for the prediction of Xaa-Pro peptide bond conformations in proteins based on 13C chemical shift statistics.

  • Schubert M; Labudde D; Oschkinat H; Schmieder P

Journal of biomolecular NMR 2002

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Relaxation, equilibrium oligomerization, and molecular symmetry of the VASP (336-380) EVH2 tetramer.

  • Zimmermann J; Labudde D; Jarchau T; Walter U; Oschkinat H; Ball LJ

Biochemistry 2002

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A 3-D structural model of solid self-assembled chlorophyll a/H(2)O from multispin labeling and MAS NMR 2-D dipolar correlation spectroscopy in high magnetic field.

  • van Rossum BJ; Schulten EA; Raap J; Oschkinat H; de Groot HJ

Journal of magnetic resonance (San Diego, Calif. : 1997) 2002

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EVH1 domains: structure, function and interactions.

  • Ball LJ; Jarchau T; Oschkinat H; Walter U

FEBS letters 2002

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MUSIC and aromatic residues: amino acid type-selective (1)H-(15)N correlations, III.

  • Schubert M; Oschkinat H; Schmieder P

Journal of magnetic resonance (San Diego, Calif. : 1997) 2001

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Assignment of the nonexchanging protons of the alpha-spectrin SH3 domain by two- and three-dimensional 1H-13C solid-state magic-angle spinning NMR and comparison of solution and solid-state proton chemical shifts.

  • van Rossum BJ; Castellani F; Rehbein K; Pauli J; Oschkinat H

Chembiochem : a European journal of chemical biology 2001

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Solution structures of the YAP65 WW domain and the variant L30 K in complex with the peptides GTPPPPYTVG, N-(n-octyl)-GPPPY and PLPPY and the application of peptide libraries reveal a minimal binding epitope.

  • Pires JR; Taha-Nejad F; Toepert F; Ast T; Hoffmüller U; Schneider-Mergener J; Kühne R; Macias MJ; Oschkinat H

Journal of molecular biology 2001

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The NMR structure of the 47-kDa dimeric enzyme 3,4-dihydroxy-2-butanone-4-phosphate synthase and ligand binding studies reveal the location of the active site.

  • Kelly MJ; Ball LJ; Krieger C; Yu Y; Fischer M; Schiffmann S; Schmieder P; Kühne R; Bermel W; Bacher A; Richter G; Oschkinat H

Proceedings of the National Academy of Sciences of the United States of America 2001

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Using flexible loop mimetics to extend phi-value analysis to secondary structure interactions.

  • Ferguson N; Pires JR; Toepert F; Johnson CM; Pan YP; Volkmer-Engert R; Schneider-Mergener J; Daggett V; Oschkinat H; Fersht A

Proceedings of the National Academy of Sciences of the United States of America 2001

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Ultrafast folding of WW domains without structured aromatic clusters in the denatured state.

  • Ferguson N; Johnson CM; Macias M; Oschkinat H; Fersht A

Proceedings of the National Academy of Sciences of the United States of America 2001

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Amino acid type-selective backbone 1H-15N-correlations for Arg and Lys.

  • Schubert M; Oschkinat H; Schmieder P

Journal of biomolecular NMR 2001

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Secondary chemical shifts in immobilized peptides and proteins: a qualitative basis for structure refinement under magic angle spinning.

  • Luca S; Filippov DV; van Boom JH; Oschkinat H; de Groot HJ; Baldus M

Journal of biomolecular NMR 2001

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High-throughput three-dimensional protein structure determination.

  • Heinemann U; Illing G; Oschkinat H

Current opinion in biotechnology 2001

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Backbone and side-chain 13C and 15N signal assignments of the alpha-spectrin SH3 domain by magic angle spinning solid-state NMR at 17.6 Tesla.

  • Pauli J; Baldus M; van Rossum B; de Groot H; Oschkinat H

Chembiochem : a European journal of chemical biology 2001

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Synthesis of an Array Comprising 837 Variants of the hYAP WW Protein Domain This work was supported by the DFG (INK 16/B1-1), by the Fonds der Chemischen Industrie, and by the Universitätsklinikum Charité Berlin.

  • Toepert F; Pires JR; Landgraf C; Oschkinat H; Schneider-Mergener J

Angewandte Chemie (International ed. in English) 2001

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MUSIC, selective pulses, and tuned delays: amino acid type-selective (1)H-(15)N correlations, II.

  • Schubert M; Oschkinat H; Schmieder P

Journal of magnetic resonance (San Diego, Calif. : 1997) 2001

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Interaction of a PDZ Protein Domain with a Synthetic Library of All Human Protein C Termini

  • Hartmut Oschkinat

Angewandte Chemie International Edition 1999

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The entire metabolite spectrum of the green alga Scenedesmus obliquus in isotope-labelled form

  • Hartmut Oschkinat

Phytochemistry 1999

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A new type of PDZ domain recognition.

  • Oschkinat H

Nature structural biology 1999

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MUSIC in triple-resonance experiments: amino acid type-selective (1)H-(15)N correlations

  • Schubert M; Smalla M; Schmieder P; Oschkinat H

Journal of magnetic resonance (San Diego, Calif. : 1997) 1999

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Solution structure of the receptor tyrosine kinase EphB2 SAM domain and identification of two distinct homotypic interaction sites.

  • Smalla M; Schmieder P; Kelly M; Ter Laak A; Krause G; Ball L; Wahl M; Bork P; Oschkinat H

Protein science : a publication of the Protein Society 1999

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The solution structure of the Zalpha domain of the human RNA editing enzyme ADAR1 reveals a prepositioned binding surface for Z-DNA.

  • Schade M; Turner CJ; Kühne R; Schmieder P; Lowenhaupt K; Herbert A; Rich A; Oschkinat H

Proceedings of the National Academy of Sciences of the United States of America 1999

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A 6 bp Z-DNA hairpin binds two Z alpha domains from the human RNA editing enzyme ADAR1.

  • Schade M; Behlke J; Lowenhaupt K; Herbert A; Rich A; Oschkinat H

FEBS letters 1999

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Rational design of a GCN4-derived mimetic of interleukin-4.

  • Domingues H; Cregut D; Sebald W; Oschkinat H; Serrano L

Nature structural biology 1999

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Application of amino acid type-specific 1H- and 14N-labeling in a 2H-, 15N-labeled background to a 47 kDa homodimer: potential for NMR structure determination of large proteins.

  • Kelly MJ; Krieger C; Ball LJ; Yu Y; Richter G; Schmieder P; Bacher A; Oschkinat H

Journal of biomolecular NMR 1999

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NMR studies on the 46-kDa dimeric protein, 3,4-dihydroxy-2-butanone 4-phosphate synthase, using 2H, 13C, and 15N-labelling.

  • Richter G; Kelly M; Krieger C; Yu Y; Bermel W; Karlsson G; Bacher A; Oschkinat H

European journal of biochemistry 1999

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Signal selection in high-resolution NMR by pulsed field gradients.

  • Thomas DJ; Mitschang L; Simon B; Oschkinat H

Journal of magnetic resonance (San Diego, Calif. : 1997) 1999

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Towards structural investigations on isotope labelled native bacteriorhodopsin in detergent micelles by solution-state NMR spectroscopy

  • Hartmut Oschkinat

Journal of Biomolecular NMR 1997

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NMR Investigations of the Role of the Sugar Moiety in Glycosylated Recombinant Human Granulocyte-Colony-Stimulating Factor

  • Hartmut Oschkinat

European Journal of Biochemistry 1997

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Constant-Time HQQC Experiment for Protein NMR Spectroscopy

  • Hartmut Oschkinat

Journal of Magnetic Resonance 1997

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Tools for the automated assignment of high-resolution three-dimensional protein NMR spectra based on pattern recognition techniques.

  • Croft D; Kemmink J; Neidig KP; Oschkinat H

Journal of biomolecular NMR 1997

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A small region in phosducin inhibits G-protein betagamma-subunit function.

  • Blüml K; Schnepp W; Schröder S; Beyermann M; Macias M; Oschkinat H; Lohse MJ

The EMBO journal 1997

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Characterization of pheophytin ground states in Rhodobacter sphaeroides R26 photosynthetic reaction centers from multispin pheophytin enrichment and 2-D 13C MAS NMR dipolar correlation spectroscopy.

  • Egorova-Zachernyuk TA; van Rossum B; Boender GJ; Franken E; Ashurst J; Raap J; Gast P; Hoff AJ; Oschkinat H; de Groot HJ

Biochemistry 1997

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Automated NOESY interpretation with ambiguous distance restraints: the refined NMR solution structure of the pleckstrin homology domain from beta-spectrin.

  • Nilges M; Macias MJ; O'Donoghue SI; Oschkinat H

Journal of molecular biology 1997

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Rab7: NMR and kinetics analysis of intact and C-terminal truncated constructs.

  • Neu M; Brachvogel V; Oschkinat H; Zerial M; Metcalf P

Proteins 1997

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