000276228 001__ 276228
000276228 005__ 20240619091151.0
000276228 0247_ $$2doi$$a10.1021/acs.jmedchem.5b01147
000276228 0247_ $$2ISSN$$a0022-2623
000276228 0247_ $$2ISSN$$a0095-9065
000276228 0247_ $$2ISSN$$a1520-4804
000276228 0247_ $$2ISSN$$a1943-2992
000276228 0247_ $$2WOS$$aWOS:000361921800033
000276228 037__ $$aFZJ-2015-06693
000276228 082__ $$a540
000276228 1001_ $$0P:(DE-HGF)0$$aYokoyama, Takeshi$$b0$$eCorresponding author
000276228 245__ $$aProtonation State and Hydration of Bisphosphonate Bound to Farnesyl Pyrophosphate Synthase
000276228 260__ $$aWashington, DC$$bACS$$c2015
000276228 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1449472535_18279
000276228 3367_ $$2DataCite$$aOutput Types/Journal article
000276228 3367_ $$00$$2EndNote$$aJournal Article
000276228 3367_ $$2BibTeX$$aARTICLE
000276228 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000276228 3367_ $$2DRIVER$$aarticle
000276228 520__ $$aFarnesyl pyrophosphate synthase (FPPS) catalyzes the condensation of isopentenyl pyrophosphate (IPP) and dimethylallyl pyrophosphate to FPP and is known to be a molecular target of osteoporosis drugs, such as risedronate (RIS), which is a nitrogen-containing bisphosphonate. The protonation states and hydration structure of RIS bound to FPPS were determined by neutron protein crystallography, which allows direct visualization of hydrogens and deuteriums. The structure analysis revealed that the phosphate groups of RIS were fully deprotonated with the abnormally decreased pKa, and that the roles of E93 and D264 consisted of canceling the extra negative charges upon the binding of ligands. Collectively, our neutron structures provided insights into the physicochemical properties during the bisphosphonate binding event.
000276228 536__ $$0G:(DE-HGF)POF3-6G15$$a6G15 - FRM II / MLZ (POF3-6G15)$$cPOF3-6G15$$fPOF III$$x0
000276228 536__ $$0G:(DE-HGF)POF3-6G4$$a6G4 - Jülich Centre for Neutron Research (JCNS) (POF3-623)$$cPOF3-623$$fPOF III$$x1
000276228 588__ $$aDataset connected to CrossRef
000276228 65027 $$0V:(DE-MLZ)SciArea-160$$2V:(DE-HGF)$$aBiology$$x0
000276228 65027 $$0V:(DE-MLZ)SciArea-240$$2V:(DE-HGF)$$aCrystallography$$x1
000276228 65017 $$0V:(DE-MLZ)GC-130-2016$$2V:(DE-HGF)$$aHealth and Life$$x1
000276228 65017 $$0V:(DE-MLZ)GC-130-1$$2V:(DE-HGF)$$aHealth and Life$$x0
000276228 693__ $$0EXP:(DE-MLZ)BIODIFF-20140101$$1EXP:(DE-MLZ)FRMII-20140101$$5EXP:(DE-MLZ)BIODIFF-20140101$$6EXP:(DE-MLZ)NL1-20140101$$aForschungs-Neutronenquelle Heinz Maier-Leibnitz $$eBIODIFF: Diffractometer for large unit cells$$fNL1$$x0
000276228 7001_ $$0P:(DE-HGF)0$$aMizuguchi, Mineyuki$$b1
000276228 7001_ $$0P:(DE-HGF)0$$aOstermann, Andreas$$b2
000276228 7001_ $$0P:(DE-HGF)0$$aKusaka, Katsuhiro$$b3
000276228 7001_ $$0P:(DE-HGF)0$$aNiimura, Nobuo$$b4
000276228 7001_ $$0P:(DE-Juel1)138266$$aSchrader, Tobias Erich$$b5$$ufzj
000276228 7001_ $$0P:(DE-HGF)0$$aTanaka, Ichiro$$b6
000276228 773__ $$0PERI:(DE-600)1491411-6$$a10.1021/acs.jmedchem.5b01147$$gVol. 58, no. 18, p. 7549 - 7556$$n18$$p7549 - 7556$$tJournal of medicinal chemistry$$v58$$x1520-4804$$y2015
000276228 8564_ $$uhttps://juser.fz-juelich.de/record/276228/files/acs%252Ejmedchem%252E5b01147.pdf$$yRestricted
000276228 8564_ $$uhttps://juser.fz-juelich.de/record/276228/files/acs%252Ejmedchem%252E5b01147.gif?subformat=icon$$xicon$$yRestricted
000276228 8564_ $$uhttps://juser.fz-juelich.de/record/276228/files/acs%252Ejmedchem%252E5b01147.jpg?subformat=icon-1440$$xicon-1440$$yRestricted
000276228 8564_ $$uhttps://juser.fz-juelich.de/record/276228/files/acs%252Ejmedchem%252E5b01147.jpg?subformat=icon-180$$xicon-180$$yRestricted
000276228 8564_ $$uhttps://juser.fz-juelich.de/record/276228/files/acs%252Ejmedchem%252E5b01147.jpg?subformat=icon-640$$xicon-640$$yRestricted
000276228 8564_ $$uhttps://juser.fz-juelich.de/record/276228/files/acs%252Ejmedchem%252E5b01147.pdf?subformat=pdfa$$xpdfa$$yRestricted
000276228 909CO $$ooai:juser.fz-juelich.de:276228$$pVDB$$pVDB:MLZ
000276228 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)138266$$aForschungszentrum Jülich GmbH$$b5$$kFZJ
000276228 9131_ $$0G:(DE-HGF)POF3-6G15$$1G:(DE-HGF)POF3-6G0$$2G:(DE-HGF)POF3-600$$3G:(DE-HGF)POF3$$4G:(DE-HGF)POF$$9G:(DE-HGF)POF3-6G15$$aDE-HGF$$bForschungsbereich Materie$$lGroßgeräte: Materie$$vFRM II / MLZ$$x0
000276228 9131_ $$0G:(DE-HGF)POF3-623$$1G:(DE-HGF)POF3-620$$2G:(DE-HGF)POF3-600$$3G:(DE-HGF)POF3$$4G:(DE-HGF)POF$$9G:(DE-HGF)POF3-6G4$$aDE-HGF$$bForschungsbereich Materie$$lVon Materie zu Materialien und Leben$$vFacility topic: Neutrons for Research on Condensed Matter$$x1
000276228 9141_ $$y2015
000276228 915__ $$0StatID:(DE-HGF)0420$$2StatID$$aNationallizenz
000276228 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR$$bJ MED CHEM : 2014
000276228 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS
000276228 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline
000276228 915__ $$0StatID:(DE-HGF)0310$$2StatID$$aDBCoverage$$bNCBI Molecular Biology Database
000276228 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bThomson Reuters Master Journal List
000276228 915__ $$0StatID:(DE-HGF)0110$$2StatID$$aWoS$$bScience Citation Index
000276228 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection
000276228 915__ $$0StatID:(DE-HGF)0111$$2StatID$$aWoS$$bScience Citation Index Expanded
000276228 915__ $$0StatID:(DE-HGF)1030$$2StatID$$aDBCoverage$$bCurrent Contents - Life Sciences
000276228 915__ $$0StatID:(DE-HGF)1050$$2StatID$$aDBCoverage$$bBIOSIS Previews
000276228 915__ $$0StatID:(DE-HGF)9905$$2StatID$$aIF >= 5$$bJ MED CHEM : 2014
000276228 920__ $$lyes
000276228 9201_ $$0I:(DE-Juel1)JCNS-FRM-II-20110218$$kJCNS (München) ; Jülich Centre for Neutron Science JCNS (München) ; JCNS-FRM-II$$lJCNS-FRM-II$$x0
000276228 9201_ $$0I:(DE-Juel1)JCNS-1-20110106$$kNeutronenstreuung ; JCNS-1$$lNeutronenstreuung $$x1
000276228 980__ $$ajournal
000276228 980__ $$aVDB
000276228 980__ $$aI:(DE-Juel1)JCNS-FRM-II-20110218
000276228 980__ $$aI:(DE-Juel1)JCNS-1-20110106
000276228 980__ $$aUNRESTRICTED