Macholl, S. ; Tietze, D. ; Buntkowsky, G. (2013)
NMR crystallography of amides, peptides and protein-ligand complexes.
In: Crystengcomm, 15 (43)
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
NMR crystallography, the combination of solid-state NMR techniques, chemical modelling, quantum chemical calculations and other characterization techniques, allows the determination of molecular and supramolecular structures which are not amenable to standard X-ray crystallography. The method is demonstrated on a set of application examples. First the principles and practical considerations of NMR crystallography based on dipolar NMR spectroscopy are outlined in conformational studies of polymorphs of N-octyl-gluconamide and of methoxycarbonyl urea. Then structural studies of two substrate-inhibitor complexes, human manganese superoxide dismutase with azide and nickel superoxide dismutase with cyanide, are reviewed. Finally an example of ongoing developments in the related field of EPR crystallography is reported.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2013 |
| Autor(en): | Macholl, S. ; Tietze, D. ; Buntkowsky, G. |
| Art des Eintrags: | Bibliographie |
| Titel: | NMR crystallography of amides, peptides and protein-ligand complexes |
| Sprache: | Englisch |
| Publikationsjahr: | 2013 |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Crystengcomm |
| Jahrgang/Volume einer Zeitschrift: | 15 |
| (Heft-)Nummer: | 43 |
| URL / URN: | http://apps.webofknowledge.com/full_record.do?product=WOS&se... |
| Kurzbeschreibung (Abstract): | NMR crystallography, the combination of solid-state NMR techniques, chemical modelling, quantum chemical calculations and other characterization techniques, allows the determination of molecular and supramolecular structures which are not amenable to standard X-ray crystallography. The method is demonstrated on a set of application examples. First the principles and practical considerations of NMR crystallography based on dipolar NMR spectroscopy are outlined in conformational studies of polymorphs of N-octyl-gluconamide and of methoxycarbonyl urea. Then structural studies of two substrate-inhibitor complexes, human manganese superoxide dismutase with azide and nickel superoxide dismutase with cyanide, are reviewed. Finally an example of ongoing developments in the related field of EPR crystallography is reported. |
| Freie Schlagworte: | manganese superoxide-dismutase double-resonance nmr octyl-d-gluconamide chemical-shift nmr x-ray-structure crystal-structure propionibacterium-shermanii molecular-structure rotational-echo active-site |
| Zusätzliche Informationen: | 236QV Times Cited:0 Cited References Count:65 |
| Fachbereich(e)/-gebiet(e): | 07 Fachbereich Chemie 07 Fachbereich Chemie > Eduard Zintl-Institut > Fachgebiet Physikalische Chemie |
| Hinterlegungsdatum: | 27 Okt 2014 20:46 |
| Letzte Änderung: | 29 Mai 2019 10:27 |
| PPN: | |
| Export: | |
| Suche nach Titel in: | TUfind oder in Google |
 |
Frage zum Eintrag |
Optionen (nur für Redakteure)
 |
Redaktionelle Details anzeigen |
Drucken
Impressum