Sheldrick, George M.

[["dc.bibliographiccitation.firstpage","9a"],["dc.bibliographiccitation.issue","3"],["dc.bibliographiccitation.journal","Biophysical Journal"],["dc.bibliographiccitation.volume","110"],["dc.contributor.author","de Groot, Bert L."],["dc.contributor.author","Koepfer, David"],["dc.contributor.author","Song, Chen"],["dc.contributor.author","Gruene, Tim"],["dc.contributor.author","Sheldrick, George M."],["dc.contributor.author","Zachariae, Ulrich"],["dc.date.accessioned","2020-12-10T14:22:41Z"],["dc.date.available","2020-12-10T14:22:41Z"],["dc.date.issued","2016"],["dc.format.extent","9A"],["dc.identifier.doi","10.1016/j.bpj.2015.11.101"],["dc.identifier.isi","000375093500050"],["dc.identifier.issn","0006-3495"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/71695"],["dc.language.iso","en"],["dc.notes.intern","DOI Import GROB-354"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Cell Press"],["dc.publisher.place","Cambridge"],["dc.relation.conference","60th Annual Meeting of the Biophysical-Society"],["dc.relation.eventlocation","Los Angeles, CA"],["dc.relation.issn","1542-0086"],["dc.relation.issn","0006-3495"],["dc.title","The Molecular Dynamics of Ion Channel Permeation, Selectivity and Gating"],["dc.type","conference_abstract"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","985"],["dc.bibliographiccitation.journal","ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY"],["dc.bibliographiccitation.lastpage","992"],["dc.bibliographiccitation.volume","64"],["dc.contributor.author","Pal, Aritra"],["dc.contributor.author","Debreczeni, Judit E."],["dc.contributor.author","Sevvana, Madhumati"],["dc.contributor.author","Gruene, Tim"],["dc.contributor.author","Kahle, Beatrix"],["dc.contributor.author","Zeeck, Axel"],["dc.contributor.author","Sheldrick, George M."],["dc.date.accessioned","2018-11-07T11:11:00Z"],["dc.date.available","2018-11-07T11:11:00Z"],["dc.date.issued","2008"],["dc.description.abstract","Crystals of the cytotoxic thionin proteins viscotoxins A1 and B2 extracted from mistletoe diffracted to high resolution (1.25 and 1.05 angstrom, respectively) and are excellent candidates for testing crystallographic methods. Ab initio direct methods were only successful in solving the viscotoxin B2 structure, which with 861 unique non-H atoms is one of the largest unknown structures without an atom heavier than sulfur to be solved in this way, but sulfur-SAD phasing provided a convincing solution for viscotoxin A1. Both proteins form dimers in the crystal and viscotoxin B2 (net charge +4 per monomer), but not viscotoxin A1 (net charge +6), is coordinated by sulfate or phosphate anions. The viscotoxin A1 crystal has a higher solvent content than the viscotoxin B2 crystal (49% as opposed to 28%) with solvent channels along the crystallographic 43 axes."],["dc.identifier.doi","10.1107/S0907444908022646"],["dc.identifier.isi","000258411800011"],["dc.identifier.pmid","18703848"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/53331"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Wiley-blackwell"],["dc.relation.issn","0907-4449"],["dc.title","Structures of viscotoxins A1 and B2 from European mistletoe solved using native data alone"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","s44"],["dc.bibliographiccitation.issue","a1"],["dc.bibliographiccitation.journal","Acta Crystallographica. Section A, Foundations and Advances"],["dc.bibliographiccitation.lastpage","s44"],["dc.bibliographiccitation.volume","71"],["dc.contributor.author","Gruene, Tim"],["dc.contributor.author","Hahn, Hinrich W."],["dc.contributor.author","Luebben, Anna V."],["dc.contributor.author","Meilleur, Flora"],["dc.contributor.author","Sheldrick, George M."],["dc.contributor.author","Köpfer, David A."],["dc.contributor.author","Song, Chen"],["dc.contributor.author","Zachariae, Ulrich"],["dc.contributor.author","de Groot, Bert L."],["dc.contributor.author","Luebben, Jens"],["dc.date.accessioned","2021-03-05T08:58:58Z"],["dc.date.available","2021-03-05T08:58:58Z"],["dc.date.issued","2015"],["dc.identifier.doi","10.1107/S2053273315099301"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/80318"],["dc.notes.intern","DOI Import GROB-393"],["dc.relation.issn","2053-2733"],["dc.title","Xen crystallography - choose your radiation"],["dc.type","journal_article"],["dc.type.internalPublication","unknown"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","3976"],["dc.bibliographiccitation.issue","6"],["dc.bibliographiccitation.journal","Journal of biological chemistry"],["dc.bibliographiccitation.lastpage","3984"],["dc.bibliographiccitation.volume","284"],["dc.contributor.author","Pal, Aritra"],["dc.contributor.author","Kraetzner, Ralph"],["dc.contributor.author","Gruene, Tim"],["dc.contributor.author","Grapp, Marcel"],["dc.contributor.author","Schreiber, Kathrin"],["dc.contributor.author","Gronborg, Mads"],["dc.contributor.author","Urlaub, Henning"],["dc.contributor.author","Becker, Stefan"],["dc.contributor.author","Asif, Abdul R."],["dc.contributor.author","Gärtner, Jutta"],["dc.contributor.author","Sheldrick, George M."],["dc.contributor.author","Steinfeld, Robert"],["dc.date.accessioned","2017-09-07T11:47:33Z"],["dc.date.available","2017-09-07T11:47:33Z"],["dc.date.issued","2009"],["dc.description.abstract","Late infantile neuronal ceroid lipofuscinosis, a fatal neurodegenerative disease of childhood, is caused by mutations in the TPP1 gene that encodes tripeptidyl-peptidase I. We show that purified TPP1 requires at least partial glycosylation for in vitro autoprocessing and proteolytic activity. We crystallized the fully glycosylated TPP1 precursor under conditions that implied partial autocatalytic cleavage between the prosegment and the catalytic domain. X-ray crystallographic analysis at 2.35 angstrom resolution reveals a globular structure with a subtilisin-like fold, a Ser(475) -Glu(272) -Asp(360) catalytic triad, and an octahedrally coordinated Ca(2+) -binding site that are characteristic features of the S53 sedolisin family of peptidases. In contrast to other S53 peptidases, the TPP1 structure revealed steric constraints on the P4 substrate pocket explaining its preferential cleavage of tripeptides from the unsubstituted N terminus of proteins. Two alternative conformations of the catalytic Asp(276) are associated with the activation status of TPP1. 28 disease-causing missense mutations are analyzed in the light of the TPP1 structure providing insight into the molecular basis of late infantile neuronal ceroid lipofuscinosis."],["dc.identifier.doi","10.1074/jbc.M806947200"],["dc.identifier.gro","3143151"],["dc.identifier.isi","000262872500066"],["dc.identifier.pmid","19038966"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/633"],["dc.notes.intern","WoS Import 2017-03-10 / Funder: Fonds der Chemischen Industrie"],["dc.notes.status","final"],["dc.notes.submitter","PUB_WoS_Import"],["dc.publisher","Amer Soc Biochemistry Molecular Biology Inc"],["dc.relation.issn","0021-9258"],["dc.title","Structure of Tripeptidyl-peptidase I Provides Insight into the Molecular Basis of Late Infantile Neuronal Ceroid Lipofuscinosis"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.subtype","original"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","945"],["dc.bibliographiccitation.issue","9-10"],["dc.bibliographiccitation.journal","Zeitschrift für Naturforschung B"],["dc.bibliographiccitation.lastpage","949"],["dc.bibliographiccitation.volume","69"],["dc.contributor.author","Gruene, Tim"],["dc.contributor.author","Sheldrick, George M."],["dc.contributor.author","ZlatopolsIdybe, Boris D."],["dc.contributor.author","Kozhushkov, Sergei I."],["dc.contributor.author","Meijere, Armin de"],["dc.date.accessioned","2018-11-07T09:33:55Z"],["dc.date.available","2018-11-07T09:33:55Z"],["dc.date.issued","2014"],["dc.description.abstract","The structure of hormaomycin has been determined in two crystals grown under different conditions, i. e. in the absence and in the presence of magnesium chloride. In both crystals, the macrocyclic hexadepsipeptide assumes a rather flat conformation, and the dipeptide side chain resides in the same equatorial plane. This is a significant difference in comparison with the compact bent conformation of hormaomycin in solution, as previously determined by an extensive NMR study."],["dc.identifier.doi","10.5560/ZNB.2014-4116"],["dc.identifier.isi","000347145200001"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/32066"],["dc.language.iso","en"],["dc.notes.status","final"],["dc.notes.submitter","Najko"],["dc.relation.issn","1865-7117"],["dc.relation.issn","0932-0776"],["dc.title","Structure of Hormaomycin, a Naturally Occurring Cyclic Octadepsipeptide, in the Crystal"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","1"],["dc.bibliographiccitation.journal","ACTA CRYSTALLOGRAPHICA SECTION A"],["dc.bibliographiccitation.lastpage","8"],["dc.bibliographiccitation.volume","67"],["dc.contributor.author","Gruene, Tim"],["dc.contributor.author","Sheldrick, George M."],["dc.date.accessioned","2018-11-07T09:00:34Z"],["dc.date.available","2018-11-07T09:00:34Z"],["dc.date.issued","2011"],["dc.description.abstract","Medium- to high-resolution X-ray structures of DNA and RNA molecules were investigated to find geometric properties useful for automated model building in crystallographic electron-density maps. We describe a simple method, starting from a list of electron-density 'blobs', for identifying backbone phosphates and nucleic acid bases based on properties of the local electron-density distribution. This knowledge should be useful for the automated building of nucleic acid models into electron-density maps. We show that the distances and angles involving C1' and the P atoms, using the pseudo-torsion angles eta' and theta' that describe the ... P-C1'-P-C1' ... chain, provide a promising basis for building the nucleic acid polymer. These quantities show reasonably narrow distributions with asymmetry that should allow the direction of the phosphate backbone to be established."],["dc.identifier.doi","10.1107/S0108767310039140"],["dc.identifier.isi","000285520100001"],["dc.identifier.pmid","21173468"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/24196"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Wiley-blackwell"],["dc.relation.issn","0108-7673"],["dc.title","Geometric properties of nucleic acids with potential for autobuilding"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","118a"],["dc.bibliographiccitation.issue","2"],["dc.bibliographiccitation.journal","Biophysical Journal"],["dc.bibliographiccitation.volume","108"],["dc.contributor.author","Zachariae, Ulrich"],["dc.contributor.author","Kopfer, David A."],["dc.contributor.author","Song, Chen"],["dc.contributor.author","Gruene, Tim"],["dc.contributor.author","Sheldrick, George M."],["dc.contributor.author","de Groot, Bert L."],["dc.date.accessioned","2018-11-07T10:01:55Z"],["dc.date.available","2018-11-07T10:01:55Z"],["dc.date.issued","2015"],["dc.format.extent","118A"],["dc.identifier.doi","10.1016/j.bpj.2014.11.663"],["dc.identifier.isi","000359471700591"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/38130"],["dc.language.iso","en"],["dc.notes.intern","DOI Import GROB-393"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Cell Press"],["dc.publisher.place","Cambridge"],["dc.relation.issn","1542-0086"],["dc.relation.issn","0006-3495"],["dc.title","Ion Permeation in Potassium Channels Involves Direct Coulomb Knock-On between Ions"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","129a"],["dc.bibliographiccitation.issue","2"],["dc.bibliographiccitation.journal","Biophysical Journal"],["dc.bibliographiccitation.volume","108"],["dc.contributor.author","Song, Chen"],["dc.contributor.author","Gruene, Tim"],["dc.contributor.author","Sheldrick, George M."],["dc.contributor.author","Sansom, Mark S. P."],["dc.contributor.author","Zachariae, Ulrich"],["dc.contributor.author","de Groot, Bert L."],["dc.contributor.author","Köpfer, David A."],["dc.date.accessioned","2018-11-07T10:01:56Z"],["dc.date.available","2018-11-07T10:01:56Z"],["dc.date.issued","2015"],["dc.format.extent","129A"],["dc.identifier.doi","10.1016/j.bpj.2014.11.721"],["dc.identifier.isi","000359471700647"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/38131"],["dc.language.iso","en"],["dc.notes.intern","DOI Import GROB-393"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Cell Press"],["dc.publisher.place","Cambridge"],["dc.relation.issn","1542-0086"],["dc.relation.issn","0006-3495"],["dc.title","Direct Contacts of K+ Ions in the Selectivity Filter Enable the High Conductance of K+ Channels"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","352"],["dc.bibliographiccitation.issue","6207"],["dc.bibliographiccitation.journal","Science"],["dc.bibliographiccitation.lastpage","355"],["dc.bibliographiccitation.volume","346"],["dc.contributor.author","Koepfer, David A."],["dc.contributor.author","Song, Chen"],["dc.contributor.author","Gruene, Tim"],["dc.contributor.author","Sheldrick, George M."],["dc.contributor.author","Zachariae, Ulrich"],["dc.contributor.author","de Groot, Bert L."],["dc.date.accessioned","2018-11-07T09:33:31Z"],["dc.date.available","2018-11-07T09:33:31Z"],["dc.date.issued","2014"],["dc.description.abstract","Potassium channels selectively conduct K+ ions across cellular membranes with extraordinary efficiency. Their selectivity filter exhibits four binding sites with approximately equal electron density in crystal structures with high K+ concentrations, previously thought to reflect a superposition of alternating ion-and water-occupied states. Consequently, cotranslocation of ions with water has become a widely accepted ion conduction mechanism for potassium channels. By analyzing more than 1300 permeation events from molecular dynamics simulations at physiological voltages, we observed instead that permeation occurs via ion-ion contacts between neighboring K+ ions. Coulomb repulsion between adjacent ions is found to be the key to high-efficiency K+ conduction. Crystallographic data are consistent with directly neighboring K+ ions in the selectivity filter, and our model offers an intuitive explanation for the high throughput rates of K+ channels."],["dc.identifier.doi","10.1126/science.1254840"],["dc.identifier.isi","000343041100045"],["dc.identifier.pmid","25324389"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/31983"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Assoc Advancement Science"],["dc.relation.issn","1095-9203"],["dc.relation.issn","0036-8075"],["dc.title","Ion permeation in K+ channels occurs by direct Coulomb knock-on"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","374"],["dc.bibliographiccitation.journal","ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY"],["dc.bibliographiccitation.lastpage","380"],["dc.bibliographiccitation.volume","66"],["dc.contributor.author","Beck, Tobias"],["dc.contributor.author","Gruene, Tim"],["dc.contributor.author","Sheldrick, George M."],["dc.date.accessioned","2018-11-07T08:44:14Z"],["dc.date.available","2018-11-07T08:44:14Z"],["dc.date.issued","2010"],["dc.description.abstract","Experimental phasing is an essential technique for the solution of macromolecular structures. Since many heavy-atom ion soaks suffer from nonspecific binding, a novel class of compounds has been developed that combines heavy atoms with functional groups for binding to proteins. The phasing tool 5-amino-2,4,6-tribromoisophthalic acid (B3C) contains three functional groups (two carboxylate groups and one amino group) that interact with proteins via hydrogen bonds. Three Br atoms suitable for anomalous dispersion phasing are arranged in an equilateral triangle and are thus readily identified in the heavy-atom substructure. B3C was incorporated into proteinase K and a multiwavelength anomalous dispersion (MAD) experiment at the Br K edge was successfully carried out. Radiation damage to the bromine-carbon bond was investigated. A comparison with the phasing tool I3C that contains three I atoms for single-wavelength anomalous dispersion (SAD) phasing was also carried out."],["dc.identifier.doi","10.1107/S0907444909051609"],["dc.identifier.isi","000275941300006"],["dc.identifier.pmid","20382990"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/7206"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/20150"],["dc.notes.intern","Merged from goescholar"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Wiley-blackwell"],["dc.relation.issn","0907-4449"],["dc.rights","Goescholar"],["dc.rights.uri","https://goescholar.uni-goettingen.de/licenses"],["dc.title","The magic triangle goes MAD: experimental phasing with a bromine derivative"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]