Eric Oldfield - Publications

Affiliations: 
Chemistry University of Illinois, Urbana-Champaign, Urbana-Champaign, IL 
Area:
biomolecular NMR
Website:
http://www.chemistry.illinois.edu/faculty/Eric_Oldfield.html

271 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Stampolaki M, Malwal SR, Alvarez-Cabrera N, Gao Z, Moniruzzaman M, Babii SO, Naziris N, Rey-Cibati A, Valladares-Delgado M, Turcu AL, Baek KH, Phan TN, Lee H, Alcaraz M, Watson S, ... ... Oldfield E, et al. Synthesis and Testing of Analogs of the Tuberculosis Drug Candidate SQ109 against Bacteria and Protozoa: Identification of Lead Compounds against and Malaria Parasites. Acs Infectious Diseases. PMID 36706233 DOI: 10.1021/acsinfecdis.2c00537  0.589
2022 Baek KH, Phan TN, Malwal SR, Lee H, Li ZH, Moreno SNJ, Oldfield E, No JH. In Vivo Efficacy of SQ109 against , spp. and and In Vitro Activity of SQ109 Metabolites. Biomedicines. 10. PMID 35327472 DOI: 10.3390/biomedicines10030670  0.548
2021 Bai S, Wang J, Yang K, Zhou C, Xu Y, Song J, Gu Y, Chen Z, Wang M, Shoen C, Andrade B, Cynamon M, Zhou K, Wang H, Cai Q, ... Oldfield E, et al. A polymeric approach toward resistance-resistant antimicrobial agent with dual-selective mechanisms of action. Science Advances. 7. PMID 33571116 DOI: 10.1126/sciadv.abc9917  0.346
2020 Song J, Malwal SR, Baig N, Schurig-Briccio LA, Gao Z, Vaidya GS, Yang K, Abutaleb NS, Seleem MN, Gennis RB, Pogorelov TV, Oldfield E, Feng X. Discovery of Prenyltransferase Inhibitors with and Antibacterial Activity. Acs Infectious Diseases. PMID 33085463 DOI: 10.1021/acsinfecdis.0c00472  0.452
2019 Han S, Li X, Xia Y, Yu Z, Cai N, Malwal SR, Han X, Oldfield E, Zhang Y. Farnesyl Pyrophosphate Synthase as a Target for Drug Development: Discovery of Natural Product-Derived Inhibitors and Their Activity in Pancreatic Cancer Cells. Journal of Medicinal Chemistry. PMID 31725297 DOI: 10.1021/Acs.Jmedchem.9B01405  0.315
2019 Buter J, Cheng TY, Ghanem M, Grootemaat AE, Raman S, Feng X, Plantijn AR, Ennis T, Wang J, Cotton RN, Layre E, Ramnarine AK, Mayfield JA, Young DC, Jezek Martinot A, ... ... Oldfield E, et al. Mycobacterium tuberculosis releases an antacid that remodels phagosomes. Nature Chemical Biology. 15: 889-899. PMID 31427817 DOI: 10.1038/S41589-019-0336-0  0.452
2019 Song J, Shang N, Baig N, Yao J, Shin C, Kim BK, Li Q, Malwal SR, Oldfield E, Feng X, Guo RT. Aspergillus flavus squalene synthase as an antifungal target: Expression, activity, and inhibition. Biochemical and Biophysical Research Communications. PMID 30904161 DOI: 10.1016/J.Bbrc.2019.03.070  0.523
2019 Zhang L, Ko TP, Malwal SR, Liu W, Zhou S, Yu X, Oldfield E, Guo RT, Chen CC. Complex structures of MoeN5 with substrate analogues suggest sequential catalytic mechanism. Biochemical and Biophysical Research Communications. PMID 30837154 DOI: 10.1016/J.Bbrc.2019.02.131  0.315
2019 Malwal S, Chen L, Hicks H, Qu F, Liu W, Shillo A, Law WX, Zhang J, Chandnani N, Han X, Zheng Y, Chen CC, Guo RT, AbdelKhalek A, Seleem MN, ... Oldfield E, et al. Discovery of Lipophilic Bisphosphonates that Target Bacterial Cell Wall and Quinone Biosynthesis. Journal of Medicinal Chemistry. PMID 30730737 DOI: 10.1021/Acs.Jmedchem.8B01878  0.324
2018 Malwal SR, Gao J, Hu X, Yang Y, Liu W, Huang JW, Ko TP, Li L, Chen CC, O'Dowd B, Khade RL, Zhang Y, Zhang Y, Oldfield E, Guo RT. Catalytic Role of Conserved Asparagine, Glutamine, Serine, and Tyrosine Residues in Isoprenoid Biosynthesis Enzymes. Acs Catalysis. 8: 4299-4312. PMID 30345154 DOI: 10.1021/Acscatal.8B00543  0.351
2018 Kang L, Gao XH, Liu HR, Men X, Wu HN, Cui PW, Oldfield E, Yan JY. Structure-activity relationship investigation of coumarin-chalcone hybrids with diverse side-chains as acetylcholinesterase and butyrylcholinesterase inhibitors. Molecular Diversity. PMID 29934672 DOI: 10.1007/S11030-018-9839-Y  0.338
2018 Malwal SR, O'Dowd B, Feng X, Turhanen PA, Shin CJ, Yao J, Kim BK, Baig N, Zhou T, Bansal S, Khade RL, Zhang Y, Oldfield E. Bisphosphonate-Generated ATP-Analogs Inhibit Cell Signaling Pathways. Journal of the American Chemical Society. PMID 29787268 DOI: 10.1021/Jacs.8B02363  0.494
2018 Venkatramani A, G Ricci C, Oldfield E, Andrew McCammon J. Remarkable Similarity in Plasmodium falciparum and Plasmodium vivax Geranylgeranyl Diphosphate Synthase (GGPPS) Dynamics and its Implication for Anti-Malarial Drug Design. Chemical Biology & Drug Design. PMID 29345110 DOI: 10.1016/J.Bpj.2017.11.322  0.328
2017 Boulmier A, Feng X, Oms O, Mialane P, Rivière E, Shin CJ, Yao J, Kubo T, Furuta T, Oldfield E, Dolbecq A. Anticancer Activity of Polyoxometalate-Bisphosphonate Complexes: Synthesis, Characterization, In Vitro and In Vivo Results. Inorganic Chemistry. PMID 28631925 DOI: 10.1021/Acs.Inorgchem.7B01114  0.512
2017 Schwalen CJ, Feng X, Liu W, O-Dowd B, Ko TP, Shin CJ, Guo RT, Mitchell DA, Oldfield E. "Head-to-head" Prenyl Synthases in Some Pathogenic Bacteria. Chembiochem : a European Journal of Chemical Biology. PMID 28340291 DOI: 10.1002/Cbic.201700099  0.488
2017 O'Dowd B, Williams S, Wang H, No JH, Rao G, Wang W, McCammon JA, Cramer SP, Oldfield E. Spectroscopic and Computational Investigations of Ligand Binding to IspH: Discovery of Non-Diphosphate Inhibitors. Chembiochem : a European Journal of Chemical Biology. PMID 28253432 DOI: 10.1002/Cbic.201700052  0.765
2017 Mohammad H, Younis W, Chen L, Peters CE, Pogliano J, Pogliano K, Cooper BR, Zhang J, Mayhoub AS, Oldfield E, Cushman MS, Seleem MN. Phenylthiazole Antibacterial Agents Targeting Cell Wall Synthesis Exhibit Potent Activity In Vitro and In Vivo against Vancomycin-resistant Enterococci. Journal of Medicinal Chemistry. PMID 28248504 DOI: 10.1021/Acs.Jmedchem.6B01780  0.307
2017 O'Dowd B, Williams S, Wang H, No JH, Rao G, Wang W, McCammon JA, Cramer SP, Oldfield E. Inside Cover: Spectroscopic and Computational Investigations of Ligand Binding to IspH: Discovery of Non-diphosphate Inhibitors (ChemBioChem 10/2017) Chembiochem. 18: 882-882. DOI: 10.1002/Cbic.201700218  0.751
2016 Wang Y, Desai J, Zhang Y, Malwal SR, Shin CJ, Feng X, Sun H, Liu G, Guo RT, Oldfield E. Bacterial Cell Growth Inhibitors Targeting Undecaprenyl Diphosphate Synthase and Undecaprenyl Diphosphate Phosphatase. Chemmedchem. PMID 27578312 DOI: 10.1002/Cmdc.201600342  0.5
2016 Desai J, Wang Y, Wang K, Malwal SR, Oldfield E. Isoprenoid Biosynthesis Inhibitors Targeting Bacterial Cell Growth. Chemmedchem. PMID 27571880 DOI: 10.1002/Cmdc.201600343  0.327
2016 G Ricci C, Liu YL, Zhang Y, Wang Y, Zhu W, Oldfield E, McCammon JA. Dynamic Structure and Inhibition of a Malaria Drug Target: Geranylgeranyl Diphosphate Synthase. Biochemistry. 55: 5180-90. PMID 27564465 DOI: 10.1021/Acs.Biochem.6B00398  0.333
2016 Bai Y, Feng X, Xing H, Xu Y, Kim BK, Baig N, Zhou T, Gewirth AA, Lu Y, Oldfield E, Zimmerman SC. A Highly Efficient Single-Chain Metal-Organic Nanoparticle Catalyst for Alkyne-Azide "Click" Reactions in Water and in Cells. Journal of the American Chemical Society. PMID 27529791 DOI: 10.1021/Jacs.6B04477  0.416
2016 Desai J, Liu YL, Wei H, Liu W, Ko TP, Guo RT, Oldfield E. Structure, Function, and Inhibition of Staphylococcus aureus Heptaprenyl Diphosphate Synthase. Chemmedchem. PMID 27457559 DOI: 10.1002/Cmdc.201600311  0.353
2016 Zhang L, Chen CC, Ko TP, Huang JW, Zheng Y, Liu W, Wang I, Malwal SR, Feng X, Wang K, Huang CH, Hsu SD, Wang AH, Oldfield E, Guo RT. Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5. Angewandte Chemie (International Ed. in English). PMID 26954060 DOI: 10.1002/Anie.201511388  0.497
2016 Liu M, Chen CC, Chen L, Xiao X, Zheng Y, Huang JW, Liu W, Ko TP, Cheng YS, Feng X, Oldfield E, Guo RT, Ma Y. Structure and Function of a "Head-to-Middle" Prenyltransferase: Lavandulyl Diphosphate Synthase. Angewandte Chemie (International Ed. in English). PMID 26922900 DOI: 10.1002/Anie.201600656  0.487
2016 Yang Y, Ko TP, Chen CC, Huang G, Zheng Y, Liu W, Wang I, Ho MR, Hsu SD, O'Dowd B, Huff HC, Huang CH, Docampo R, Oldfield E, Guo RT. Structures of Trypanosome Vacuolar Soluble Pyrophosphatases: Anti-Parasitic Drug Targets. Acs Chemical Biology. PMID 26907161 DOI: 10.1021/Acschembio.5B00724  0.799
2016 Liu M, Chen C, Chen L, Xiao X, Zheng Y, Huang J, Liu W, Ko T, Cheng Y, Feng X, Oldfield E, Guo R, Ma Y. Cover Picture: Structure and Function of a “Head-to-Middle” Prenyltransferase: Lavandulyl Diphosphate Synthase (Angew. Chem. Int. Ed. 15/2016) Angewandte Chemie International Edition. 55: 4613-4613. DOI: 10.1002/Anie.201602065  0.457
2016 Liu M, Chen C, Chen L, Xiao X, Zheng Y, Huang J, Liu W, Ko T, Cheng Y, Feng X, Oldfield E, Guo R, Ma Y. Titelbild: Structure and Function of a “Head-to-Middle” Prenyltransferase: Lavandulyl Diphosphate Synthase (Angew. Chem. 15/2016) Angewandte Chemie. 128: 4689-4689. DOI: 10.1002/Ange.201602065  0.456
2015 Rao G, O'Dowd B, Li J, Wang K, Oldfield E. IspH-RPS1 and IspH-UbiA: "Rosetta Stone" Proteins. Chemical Science (Royal Society of Chemistry : 2010). 6: 6813-6822. PMID 26865948 DOI: 10.1039/C5Sc02600H  0.608
2015 Hu Y, Liu W, Malwal SR, Zheng Y, Feng X, Ko TP, Chen CC, Xu Z, Liu M, Han X, Gao J, Oldfield E, Guo RT. Structures of Iridoid Synthase from Cantharanthus roseus with Bound NAD(+) , NADPH, or NAD(+) /10-Oxogeranial: Reaction Mechanisms. Angewandte Chemie (International Ed. in English). 54: 15478-82. PMID 26768532 DOI: 10.1002/Anie.201508310  0.494
2015 Feng X, Zhu W, Schurig-Briccio LA, Lindert S, Shoen C, Hitchings R, Li J, Wang Y, Baig N, Zhou T, Kim BK, Crick DC, Cynamon M, McCammon JA, Gennis RB, ... Oldfield E, et al. Antiinfectives targeting enzymes and the proton motive force. Proceedings of the National Academy of Sciences of the United States of America. 112: E7073-82. PMID 26644565 DOI: 10.1073/Pnas.1521988112  0.686
2015 Li J, Feng X, Zhu W, Oskolkov N, Zhou T, Kim BK, Baig N, McMahon MT, Oldfield E. Chemical Exchange Saturation Transfer (CEST) Agents: Quantum Chemistry and MRI. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26616530 DOI: 10.1002/Chem.201503942  0.75
2015 Yang G, Zhu W, Kim K, Byun SY, Choi G, Wang K, Cha JS, Cho HS, Oldfield E, No JH. Inhibition of Trypanosoma brucei Cell Growth by Lipophilic Bisphosphonates: An In Vitro and In Vivo Investigation. Antimicrobial Agents and Chemotherapy. PMID 26392508 DOI: 10.1128/Aac.01873-15  0.635
2015 Yang G, Zhu W, Wang Y, Huang G, Byun S, Choi G, Li K, Huang Z, Docampo R, Oldfield E, No JH. In Vitro and In Vivo Activity of Multi-Target Inhibitors Against Trypanosoma brucei. Acs Infectious Diseases. 1: 388-398. PMID 26295062 DOI: 10.1021/Acsinfecdis.5B00068  0.63
2015 Farha MA, Czarny TL, Myers CL, Worrall LJ, French S, Conrady DG, Wang Y, Oldfield E, Strynadka NC, Brown ED. Antagonism screen for inhibitors of bacterial cell wall biogenesis uncovers an inhibitor of undecaprenyl diphosphate synthase. Proceedings of the National Academy of Sciences of the United States of America. 112: 11048-53. PMID 26283394 DOI: 10.1073/Pnas.1511751112  0.306
2015 Li K, Wang Y, Yang G, Byun S, Rao G, Shoen C, Yang H, Gulati A, Crick DC, Cynamon M, Huang G, Docampo R, No JH, Oldfield E. Oxa, Thia, Heterocycle, and Carborane Analogues of SQ109: Bacterial and Protozoal Cell Growth Inhibitors. Acs Infectious Diseases. 1: 215-221. PMID 26258172 DOI: 10.1021/Acsinfecdis.5B00026  0.618
2015 Saad A, Zhu W, Rousseau G, Mialane P, Marrot J, Haouas M, Taulelle F, Dessapt R, Serier-Brault H, Rivière E, Kubo T, Oldfield E, Dolbecq A. Polyoxomolybdate Bisphosphonate Heterometallic Complexes: Synthesis, Structure, and Activity on a Breast Cancer Cell Line. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26076183 DOI: 10.1002/Chem.201406565  0.304
2015 Quitterer F, Frank A, Wang K, Rao G, O'Dowd B, Li J, Guerra F, Abdel-Azeim S, Bacher A, Eppinger J, Oldfield E, Groll M. Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). Journal of Molecular Biology. 427: 2220-8. PMID 25868383 DOI: 10.1016/J.Jmb.2015.04.002  0.626
2015 Liu YL, Cao R, Wang Y, Oldfield E. Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries. Acs Medicinal Chemistry Letters. 6: 349-54. PMID 25815158 DOI: 10.1021/Ml500528X  0.507
2015 Veiga-Santos P, Li K, Lameira L, de Carvalho TM, Huang G, Galizzi M, Shang N, Li Q, Gonzalez-Pacanowska D, Hernandez-Rodriguez V, Benaim G, Guo RT, Urbina JA, Docampo R, de Souza W, ... Oldfield E, et al. SQ109, a new drug lead for Chagas disease. Antimicrobial Agents and Chemotherapy. 59: 1950-61. PMID 25583723 DOI: 10.1128/Aac.03972-14  0.31
2015 Zhu W, Wang Y, Li K, Gao J, Huang CH, Chen CC, Ko TP, Zhang Y, Guo RT, Oldfield E. Antibacterial drug leads: DNA and enzyme multitargeting. Journal of Medicinal Chemistry. 58: 1215-27. PMID 25574764 DOI: 10.1021/Jm501449U  0.332
2015 Kim MO, Feng X, Feixas F, Zhu W, Lindert S, Bogue S, Sinko W, de Oliveira C, Rao G, Oldfield E, McCammon JA. A Molecular Dynamics Investigation of Mycobacterium tuberculosis Prenyl Synthases: Conformational Flexibility and Implications for Computer-aided Drug Discovery. Chemical Biology & Drug Design. 85: 756-69. PMID 25352216 DOI: 10.1111/Cbdd.12463  0.492
2015 Han X, Chen CC, Kuo CJ, Huang CH, Zheng Y, Ko TP, Zhu Z, Feng X, Wang K, Oldfield E, Wang AH, Liang PH, Guo RT, Ma Y. Crystal structures of ligand-bound octaprenyl pyrophosphate synthase from Escherichia coli reveal the catalytic and chain-length determining mechanisms. Proteins. 83: 37-45. PMID 24895191 DOI: 10.1002/Prot.24618  0.489
2015 Hu Y, Liu W, Malwal SR, Zheng Y, Feng X, Ko T, Chen C, Xu Z, Liu M, Han X, Gao J, Oldfield E, Guo R. Cover Picture: Structures of Iridoid Synthase fromCantharanthus roseuswith Bound NAD+, NADPH, or NAD+/10-Oxogeranial: Reaction Mechanisms (Angew. Chem. Int. Ed. 51/2015) Angewandte Chemie International Edition. 54: 15301-15301. DOI: 10.1002/Anie.201510890  0.46
2015 Hu Y, Liu W, Malwal SR, Zheng Y, Feng X, Ko T, Chen C, Xu Z, Liu M, Han X, Gao J, Oldfield E, Guo R. Titelbild: Structures of Iridoid Synthase fromCantharanthus roseuswith Bound NAD+, NADPH, or NAD+/10-Oxogeranial: Reaction Mechanisms (Angew. Chem. 51/2015) Angewandte Chemie. 127: 15517-15517. DOI: 10.1002/Ange.201510890  0.458
2014 Oldfield E, Feng X. Resistance-resistant antibiotics. Trends in Pharmacological Sciences. 35: 664-74. PMID 25458541 DOI: 10.1016/J.Tips.2014.10.007  0.451
2014 Feng X, Hu Y, Zheng Y, Zhu W, Li K, Huang CH, Ko TP, Ren F, Chan HC, Nega M, Bogue S, López D, Kolter R, Götz F, Guo RT, ... Oldfield E, et al. Structural and functional analysis of Bacillus subtilis YisP reveals a role of its product in biofilm production. Chemistry & Biology. 21: 1557-63. PMID 25308276 DOI: 10.1016/J.Chembiol.2014.08.018  0.462
2014 Liu W, Feng X, Zheng Y, Huang CH, Nakano C, Hoshino T, Bogue S, Ko TP, Chen CC, Cui Y, Li J, Wang I, Hsu ST, Oldfield E, Guo RT. Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum. Scientific Reports. 4: 6214. PMID 25269599 DOI: 10.1038/Srep06214  0.515
2014 Guerra F, Wang K, Li J, Wang W, Liu YL, Amin S, Oldfield E. Inhibition of the 4Fe-4S Proteins IspG and IspH: an EPR, ENDOR and HYSCORE Investigation. Chemical Science (Royal Society of Chemistry : 2010). 5: 1642-1649. PMID 24999381 DOI: 10.1039/C3Sc53301H  0.778
2014 Liu YL, Lindert S, Zhu W, Wang K, McCammon JA, Oldfield E. Taxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate site. Proceedings of the National Academy of Sciences of the United States of America. 111: E2530-9. PMID 24927548 DOI: 10.1073/Pnas.1409061111  0.362
2014 Khade RL, Fan W, Ling Y, Yang L, Oldfield E, Zhang Y. Iron porphyrin carbenes as catalytic intermediates: structures, Mössbauer and NMR spectroscopic properties, and bonding. Angewandte Chemie (International Ed. in English). 53: 7574-8. PMID 24910004 DOI: 10.1002/Anie.201402472  0.319
2014 Sinko W, Wang Y, Zhu W, Zhang Y, Feixas F, Cox CL, Mitchell DA, Oldfield E, McCammon JA. Undecaprenyl diphosphate synthase inhibitors: antibacterial drug leads. Journal of Medicinal Chemistry. 57: 5693-701. PMID 24827744 DOI: 10.1021/Jm5004649  0.308
2014 Span I, Wang K, Eisenreich W, Bacher A, Zhang Y, Oldfield E, Groll M. Insights into the binding of pyridines to the iron-sulfur enzyme IspH. Journal of the American Chemical Society. 136: 7926-32. PMID 24813236 DOI: 10.1021/Ja501127J  0.353
2014 Shang N, Li Q, Ko TP, Chan HC, Li J, Zheng Y, Huang CH, Ren F, Chen CC, Zhu Z, Galizzi M, Li ZH, Rodrigues-Poveda CA, Gonzalez-Pacanowska D, Veiga-Santos P, ... ... Oldfield E, et al. Squalene synthase as a target for Chagas disease therapeutics. Plos Pathogens. 10: e1004114. PMID 24789335 DOI: 10.1371/Journal.Ppat.1004114  0.648
2014 Aripirala S, Gonzalez-Pacanowska D, Oldfield E, Kaiser M, Amzel LM, Gabelli SB. Structural and thermodynamic basis of the inhibition of Leishmania major farnesyl diphosphate synthase by nitrogen-containing bisphosphonates. Acta Crystallographica. Section D, Biological Crystallography. 70: 802-10. PMID 24598749 DOI: 10.1107/S1399004713033221  0.645
2014 Li K, Schurig-Briccio LA, Feng X, Upadhyay A, Pujari V, Lechartier B, Fontes FL, Yang H, Rao G, Zhu W, Gulati A, No JH, Cintra G, Bogue S, Liu YL, ... ... Oldfield E, et al. Multitarget drug discovery for tuberculosis and other infectious diseases. Journal of Medicinal Chemistry. 57: 3126-39. PMID 24568559 DOI: 10.1021/Jm500131S  0.674
2014 Benaim G, Casanova P, Hernandez-Rodriguez V, Mujica-Gonzalez S, Parra-Gimenez N, Plaza-Rojas L, Concepcion JL, Liu YL, Oldfield E, Paniz-Mondolfi A, Suarez AI. Dronedarone, an amiodarone analog with improved anti-Leishmania mexicana efficacy. Antimicrobial Agents and Chemotherapy. 58: 2295-303. PMID 24492373 DOI: 10.1128/Aac.01240-13  0.305
2014 Wang W, Oldfield E. Bioorganometallic chemistry with IspG and IspH: structure, function, and inhibition of the [Fe(4)S(4)] proteins involved in isoprenoid biosynthesis. Angewandte Chemie (International Ed. in English). 53: 4294-310. PMID 24481599 DOI: 10.1002/Anie.201306712  0.692
2014 Chan HC, Feng X, Ko TP, Huang CH, Hu Y, Zheng Y, Bogue S, Nakano C, Hoshino T, Zhang L, Lv P, Liu W, Crick DC, Liang PH, Wang AH, ... Oldfield E, et al. Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis. Journal of the American Chemical Society. 136: 2892-6. PMID 24475925 DOI: 10.1021/Ja413127V  0.496
2014 Kim MO, Feixas-Gerones F, Oldfield E, McCammon JA. A Molecular Dynamics Investigation of the Bacterial Cis-Prenyl Transferases: Perspectives on Conformational Flexibility and Chain Elongation Mechanisms Biophysical Journal. 106: 659a. DOI: 10.1016/J.Bpj.2013.11.3649  0.331
2014 Wang W, Oldfield E. ChemInform Abstract: Bioorganometallic Chemistry with IspG and IspH: Structure, Function, and Inhibition of the [Fe4S4] Proteins Involved in Isoprenoid Biosynthesis Cheminform. 45: no-no. DOI: 10.1002/chin.201425288  0.643
2014 Wang W, Oldfield E. Biometallorganische Chemie mit IspG und IspH: Struktur, Funktion und Hemmung der an der Isoprenoid-Biosynthese beteiligten [Fe4S4]-Proteine Angewandte Chemie. 126: 4382-4399. DOI: 10.1002/Ange.201306712  0.65
2013 Ziniel PD, Desai J, Cass CL, Gatto C, Oldfield E, Williams DL. Characterization of potential drug targets farnesyl diphosphate synthase and geranylgeranyl diphosphate synthase in Schistosoma mansoni. Antimicrobial Agents and Chemotherapy. 57: 5969-76. PMID 24041901 DOI: 10.1128/Aac.00699-13  0.329
2013 Li J, Wang K, Smirnova TI, Khade RL, Zhang Y, Oldfield E. Isoprenoid biosynthesis: ferraoxetane or allyl anion mechanism for IspH catalysis? Angewandte Chemie (International Ed. in English). 52: 6522-5. PMID 23649534 DOI: 10.1002/Anie.201302343  0.61
2013 Lindert S, Zhu W, Liu YL, Pang R, Oldfield E, McCammon JA. Farnesyl diphosphate synthase inhibitors from in silico screening. Chemical Biology & Drug Design. 81: 742-8. PMID 23421555 DOI: 10.1111/Cbdd.12121  0.318
2013 Ren F, Feng X, Ko TP, Huang CH, Hu Y, Chan HC, Liu YL, Wang K, Chen CC, Pang X, He M, Li Y, Oldfield E, Guo RT. Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus. Chembiochem : a European Journal of Chemical Biology. 14: 195-9. PMID 23322418 DOI: 10.1002/Cbic.201200748  0.48
2013 Span I, Wang K, Wang W, Jauch J, Eisenreich W, Bacher A, Oldfield E, Groll M. Structures of fluoro, amino, and thiol inhibitors bound to the [Fe4S4] protein IspH. Angewandte Chemie (International Ed. in English). 52: 2118-21. PMID 23307751 DOI: 10.1002/Anie.201208469  0.701
2013 Zhu W, Zhang Y, Sinko W, Hensler ME, Olson J, Molohon KJ, Lindert S, Cao R, Li K, Wang K, Wang Y, Liu YL, Sankovsky A, de Oliveira CA, Mitchell DA, ... ... Oldfield E, et al. Antibacterial drug leads targeting isoprenoid biosynthesis. Proceedings of the National Academy of Sciences of the United States of America. 110: 123-8. PMID 23248302 DOI: 10.1073/Pnas.1219899110  0.512
2013 Zhang Y, Zhu W, Liu YL, Wang H, Wang K, Li K, No JH, Ayong L, Gulati A, Pang R, Freitas-Junior L, Morita CT, Oldfield E. Chemo-immunotherapeutic antimalarials targeting isoprenoid biosynthesis Acs Medicinal Chemistry Letters. 4: 423-427. DOI: 10.1021/ml4000436  0.518
2013 Ren F, Feng X, Ko T, Huang C, Hu Y, Chan H, Liu Y, Wang K, Chen C, Pang X, He M, Li Y, Oldfield E, Guo R. Cover Picture: Insights into TIM-Barrel Prenyl Transferase Mechanisms: Crystal Structures of PcrB fromBacillus subtilisandStaphylococcus aureus(ChemBioChem 2/2013) Chembiochem. 14: 165-165. DOI: 10.1002/Cbic.201390000  0.442
2013 Span I, Wang K, Wang W, Jauch J, Eisenreich W, Bacher A, Oldfield E, Groll M. Fluor‐, Amino‐ und Thiolinhibitoren im Komplex mit dem [Fe4S4]‐Protein IspH Angewandte Chemie. 125: 2172-2175. DOI: 10.1002/Ange.201208469  0.624
2012 Span I, Wang K, Wang W, Zhang Y, Bacher A, Eisenreich W, Li K, Schulz C, Oldfield E, Groll M. Discovery of acetylene hydratase activity of the iron-sulphur protein IspH. Nature Communications. 3: 1042. PMID 22948824 DOI: 10.1038/Ncomms2052  0.685
2012 Wang W, Wang K, Span I, Jauch J, Bacher A, Groll M, Oldfield E. Are free radicals involved in IspH catalysis? An EPR and crystallographic investigation. Journal of the American Chemical Society. 134: 11225-34. PMID 22687151 DOI: 10.1021/Ja303445Z  0.672
2012 Zhang Y, Fu-Yang Lin, Li K, Zhu W, Liu YL, Cao R, Pang R, Lee E, Axelson J, Hensler M, Wang K, Molohon KJ, Wang Y, Mitchell DA, Nizet V, ... Oldfield E, et al. HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis. Acs Medicinal Chemistry Letters. 3: 402-406. PMID 22662288 DOI: 10.1021/Ml300038T  0.482
2012 Liu YL, Guerra F, Wang K, Wang W, Li J, Huang C, Zhu W, Houlihan K, Li Z, Zhang Y, Nair SK, Oldfield E. Structure, function and inhibition of the two- and three-domain 4Fe-4S IspG proteins. Proceedings of the National Academy of Sciences of the United States of America. 109: 8558-63. PMID 22586085 DOI: 10.1073/Pnas.1121107109  0.749
2012 Lin FY, Liu YL, Li K, Cao R, Zhu W, Axelson J, Pang R, Oldfield E. Head-to-head prenyl tranferases: anti-infective drug targets. Journal of Medicinal Chemistry. 55: 4367-72. PMID 22486710 DOI: 10.1021/Jm300208P  0.625
2012 Ren F, Ko TP, Feng X, Huang CH, Chan HC, Hu Y, Wang K, Ma Y, Liang PH, Wang AH, Oldfield E, Guo RT. Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes. Angewandte Chemie (International Ed. in English). 51: 4157-60. PMID 22431288 DOI: 10.1002/Anie.201108002  0.468
2012 No JH, de Macedo Dossin F, Zhang Y, Liu YL, Zhu W, Feng X, Yoo JA, Lee E, Wang K, Hui R, Freitas-Junior LH, Oldfield E. Lipophilic analogs of zoledronate and risedronate inhibit Plasmodium geranylgeranyl diphosphate synthase (GGPPS) and exhibit potent antimalarial activity. Proceedings of the National Academy of Sciences of the United States of America. 109: 4058-63. PMID 22392982 DOI: 10.1073/Pnas.1118215109  0.711
2012 Lin FY, Zhang Y, Hensler M, Liu YL, Chow OA, Zhu W, Wang K, Pang R, Thienphrapa W, Nizet V, Oldfield E. Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics. Chemmedchem. 7: 561-4. PMID 22290830 DOI: 10.1002/Cmdc.201100589  0.589
2012 Oldfield E, Lin FY. Terpene biosynthesis: modularity rules. Angewandte Chemie (International Ed. in English). 51: 1124-37. PMID 22105807 DOI: 10.1002/Anie.201103110  0.541
2012 Liu YL, Guerra F, Wang K, Wang W, Li J, Huang C, Zhu W, Houlihan K, Li Z, Zhang Y, Nair SK, Oldfield E. Structure, function and inhibition of the twoand three-domain 4Fe-4S IspG proteins (Proceedings of the National Academy of Sciences of the United States of America (2012) 109, 22 (8558-8563) DOI: 10.1073/pnas.1121107109) Proceedings of the National Academy of Sciences of the United States of America. 109: 10605. DOI: 10.1073/Pnas.1208466109  0.749
2012 Ren F, Ko T, Feng X, Huang C, Chan H, Hu Y, Wang K, Ma Y, Liang P, Wang AH, Oldfield E, Guo R. Back Cover: Insights into the Mechanism of the Antibiotic-Synthesizing Enzyme MoeO5 from Crystal Structures of Different Complexes (Angew. Chem. Int. Ed. 17/2012) Angewandte Chemie International Edition. 51: 4240-4240. DOI: 10.1002/Anie.201201339  0.473
2012 Ren F, Ko T, Feng X, Huang C, Chan H, Hu Y, Wang K, Ma Y, Liang P, Wang AH, Oldfield E, Guo R. Rücktitelbild: Insights into the Mechanism of the Antibiotic-Synthesizing Enzyme MoeO5 from Crystal Structures of Different Complexes (Angew. Chem. 17/2012) Angewandte Chemie. 124: 4314-4314. DOI: 10.1002/Ange.201201339  0.471
2012 Oldfield E, Lin F. Terpen-Biosynthese: Modularitätsregeln Angewandte Chemie. 124: 1150-1163. DOI: 10.1002/Ange.201103110  0.493
2011 Wang H, Sarikonda G, Puan KJ, Tanaka Y, Feng J, Giner JL, Cao R, Mönkkönen J, Oldfield E, Morita CT. Indirect stimulation of human Vγ2Vδ2 T cells through alterations in isoprenoid metabolism. Journal of Immunology (Baltimore, Md. : 1950). 187: 5099-113. PMID 22013129 DOI: 10.4049/Jimmunol.1002697  0.451
2011 Wylie BJ, Sperling LJ, Nieuwkoop AJ, Franks WT, Oldfield E, Rienstra CM. Ultrahigh resolution protein structures using NMR chemical shift tensors. Proceedings of the National Academy of Sciences of the United States of America. 108: 16974-9. PMID 21969532 DOI: 10.1073/Pnas.1103728108  0.332
2011 Durrant JD, Cao R, Gorfe AA, Zhu W, Li J, Sankovsky A, Oldfield E, McCammon JA. Non-bisphosphonate inhibitors of isoprenoid biosynthesis identified via computer-aided drug design. Chemical Biology & Drug Design. 78: 323-32. PMID 21696546 DOI: 10.1111/J.1747-0285.2011.01164.X  0.676
2011 Wang W, Wang K, Li J, Nellutla S, Smirnova TI, Oldfield E. An ENDOR and HYSCORE investigation of a reaction intermediate in IspG (GcpE) catalysis. Journal of the American Chemical Society. 133: 8400-3. PMID 21574560 DOI: 10.1021/Ja200763A  0.757
2011 Wang W, Li J, Wang K, Smirnova TI, Oldfield E. Pyridine inhibitor binding to the 4Fe-4S protein A. aeolicus IspH (LytB): a HYSCORE Investigation. Journal of the American Chemical Society. 133: 6525-8. PMID 21486034 DOI: 10.1021/Ja2008455  0.76
2011 Sinko W, de Oliveira C, Williams S, Van Wynsberghe A, Durrant JD, Cao R, Oldfield E, McCammon JA. Applying molecular dynamics simulations to identify rarely sampled ligand-bound conformational states of undecaprenyl pyrophosphate synthase, an antibacterial target. Chemical Biology & Drug Design. 77: 412-20. PMID 21294851 DOI: 10.1111/J.1747-0285.2011.01101.X  0.48
2011 Aripirala S, Gabelli S, Oldfield E, Pacanowska DG, Amzel M. Inhibitors of Leishmania Major Farnesyl Diphosphate Synthase: Crystallographic and Calorimetric Studies Biophysical Journal. 100: 218a-219a. DOI: 10.1016/J.Bpj.2010.12.1406  0.621
2010 Lin FY, Liu CI, Liu YL, Zhang Y, Wang K, Jeng WY, Ko TP, Cao R, Wang AH, Oldfield E. Mechanism of action and inhibition of dehydrosqualene synthase. Proceedings of the National Academy of Sciences of the United States of America. 107: 21337-42. PMID 21098670 DOI: 10.1073/Pnas.1010907107  0.636
2010 Cao R, Zhang Y, Mann FM, Huang C, Mukkamala D, Hudock MP, Mead ME, Prisic S, Wang K, Lin FY, Chang TK, Peters RJ, Oldfield E. Diterpene cyclases and the nature of the isoprene fold. Proteins. 78: 2417-32. PMID 20602361 DOI: 10.1002/Prot.22751  0.783
2010 Oldfield E. Targeting isoprenoid biosynthesis for drug discovery: bench to bedside. Accounts of Chemical Research. 43: 1216-26. PMID 20560544 DOI: 10.1021/Ar100026V  0.342
2010 Wang W, Li J, Wang K, Huang C, Zhang Y, Oldfield E. Organometallic mechanism of action and inhibition of the 4Fe-4S isoprenoid biosynthesis protein GcpE (IspG). Proceedings of the National Academy of Sciences of the United States of America. 107: 11189-93. PMID 20534554 DOI: 10.1073/Pnas.1000264107  0.772
2010 Ramos IB, Miranda K, Pace DA, Verbist KC, Lin FY, Zhang Y, Oldfield E, Machado EA, De Souza W, Docampo R. Calcium- and polyphosphate-containing acidic granules of sea urchin eggs are similar to acidocalcisomes, but are not the targets for NAADP. The Biochemical Journal. 429: 485-95. PMID 20497125 DOI: 10.1042/Bj20091956  0.495
2010 Singh AP, Zhang Y, No JH, Docampo R, Nussenzweig V, Oldfield E. Lipophilic bisphosphonates are potent inhibitors of Plasmodium liver-stage growth. Antimicrobial Agents and Chemotherapy. 54: 2987-93. PMID 20457823 DOI: 10.1128/Aac.00198-10  0.609
2010 Wang K, Wang W, No JH, Zhang Y, Zhang Y, Oldfield E. Inhibition of the Fe(4)S(4)-cluster-containing protein IspH (LytB): electron paramagnetic resonance, metallacycles, and mechanisms. Journal of the American Chemical Society. 132: 6719-27. PMID 20426416 DOI: 10.1021/Ja909664J  0.775
2010 Wang W, Wang K, Liu YL, No JH, Li J, Nilges MJ, Oldfield E. Bioorganometallic mechanism of action, and inhibition, of IspH. Proceedings of the National Academy of Sciences of the United States of America. 107: 4522-7. PMID 20173096 DOI: 10.1073/Pnas.0911087107  0.79
2010 Zhang Y, Cao R, Yin F, Lin FY, Wang H, Krysiak K, No JH, Mukkamala D, Houlihan K, Li J, Morita CT, Oldfield E. Lipophilic pyridinium bisphosphonates: potent gammadelta T cell stimulators. Angewandte Chemie (International Ed. in English). 49: 1136-8. PMID 20039246 DOI: 10.1002/Anie.200905933  0.774
2010 Huang CH, Gabelli SB, Oldfield E, Amzel LM. Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer. Proteins. 78: 888-99. PMID 19876942 DOI: 10.1002/Prot.22614  0.63
2010 Oldfield E. New Approaches to Anti-Infective and Anti-Cancer Therapeutics Targeting Metalloproteins Biophysical Journal. 98: 755a. DOI: 10.1016/J.Bpj.2009.12.4146  0.334
2009 Mukherjee S, Huang C, Guerra F, Wang K, Oldfield E. Thermodynamics of bisphosphonates binding to human bone: a two-site model. Journal of the American Chemical Society. 131: 8374-5. PMID 19489581 DOI: 10.1021/Ja902895P  0.507
2009 Song Y, Liu CI, Lin FY, No JH, Hensler M, Liu YL, Jeng WY, Low J, Liu GY, Nizet V, Wang AH, Oldfield E. Inhibition of staphyloxanthin virulence factor biosynthesis in Staphylococcus aureus: in vitro, in vivo, and crystallographic results. Journal of Medicinal Chemistry. 52: 3869-80. PMID 19456099 DOI: 10.1021/Jm9001764  0.726
2009 Zhang Y, Cao R, Yin F, Hudock MP, Guo RT, Krysiak K, Mukherjee S, Gao YG, Robinson H, Song Y, No JH, Bergan K, Leon A, Cass L, Goddard A, ... ... Oldfield E, et al. Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation. Journal of the American Chemical Society. 131: 5153-62. PMID 19309137 DOI: 10.1021/Ja808285E  0.798
2009 Song Y, Lin FY, Yin F, Hensler M, Rodrígues Poveda CA, Mukkamala D, Cao R, Wang H, Morita CT, González Pacanowska D, Nizet V, Oldfield E. Phosphonosulfonates are potent, selective inhibitors of dehydrosqualene synthase and staphyloxanthin biosynthesis in Staphylococcus aureus. Journal of Medicinal Chemistry. 52: 976-88. PMID 19191557 DOI: 10.1021/Jm801023U  0.718
2009 Wylie BJ, Schwieters CD, Oldfield E, Rienstra CM. Protein structure refinement using 13C alpha chemical shift tensors. Journal of the American Chemical Society. 131: 985-92. PMID 19123862 DOI: 10.1021/Ja804041P  0.323
2009 Zhang Y, Cao R, Yin F, Lin F, Wang H, Krysiak K, No J, Mukkamala D, Houlihan K, Li J, Morita C, Oldfield E. Lipophilic Pyridinium Bisphosphonates: Potent γδ T Cell Stimulators Angewandte Chemie. 122: 1154-1156. DOI: 10.1002/ange.200905933  0.765
2008 Mukkamala D, No JH, Cass LM, Chang TK, Oldfield E. Bisphosphonate inhibition of a Plasmodium farnesyl diphosphate synthase and a general method for predicting cell-based activity from enzyme data. Journal of Medicinal Chemistry. 51: 7827-33. PMID 19053772 DOI: 10.1021/Jm8009074  0.607
2008 Rekittke I, Wiesner J, Röhrich R, Demmer U, Warkentin E, Xu W, Troschke K, Hintz M, No JH, Duin EC, Oldfield E, Jomaa H, Ermler U. Structure of (E)-4-hydroxy-3-methyl-but-2-enyl diphosphate reductase, the terminal enzyme of the non-mevalonate pathway. Journal of the American Chemical Society. 130: 17206-7. PMID 19035630 DOI: 10.1021/Ja806668Q  0.632
2008 K-M Chen C, Hudock MP, Zhang Y, Guo RT, Cao R, No JH, Liang PH, Ko TP, Chang TH, Chang SC, Song Y, Axelson J, Kumar A, Wang AH, Oldfield E. Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation. Journal of Medicinal Chemistry. 51: 5594-607. PMID 18800762 DOI: 10.1021/Jm800325Y  0.792
2008 Song Y, Chan JM, Tovian Z, Secrest A, Nagy E, Krysiak K, Bergan K, Parniak MA, Oldfield E. Bisphosphonate inhibitors of ATP-mediated HIV-1 reverse transcriptase catalyzed excision of chain-terminating 3'-azido, 3'-deoxythymidine: a QSAR investigation. Bioorganic & Medicinal Chemistry. 16: 8959-67. PMID 18789701 DOI: 10.1016/J.Bmc.2008.08.047  0.723
2008 Cao R, Chen CK, Guo RT, Wang AH, Oldfield E. Structures of a potent phenylalkyl bisphosphonate inhibitor bound to farnesyl and geranylgeranyl diphosphate synthases. Proteins. 73: 431-9. PMID 18442135 DOI: 10.1002/Prot.22066  0.496
2008 Zhang Y, Oldfield E. NMR hyperfine shifts in blue copper proteins: a quantum chemical investigation. Journal of the American Chemical Society. 130: 3814-23. PMID 18314973 DOI: 10.1021/Ja075978B  0.338
2008 Liu CI, Liu GY, Song Y, Yin F, Hensler ME, Jeng WY, Nizet V, Wang AH, Oldfield E. A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence. Science (New York, N.Y.). 319: 1391-4. PMID 18276850 DOI: 10.1126/Science.1153018  0.532
2008 Mukherjee S, Song Y, Oldfield E. NMR investigations of the static and dynamic structures of bisphosphonates on human bone: a molecular model. Journal of the American Chemical Society. 130: 1264-73. PMID 18173269 DOI: 10.1021/Ja0759949  0.524
2007 Zhang Y, Hudock MP, Krysiak K, Cao R, Bergan K, Yin F, Leon A, Oldfield E. Activity of sulfonium bisphosphonates on tumor cell lines. Journal of Medicinal Chemistry. 50: 6067-79. PMID 17963374 DOI: 10.1021/Jm700991K  0.784
2007 Ling Y, Li ZH, Miranda K, Oldfield E, Moreno SN. The farnesyl-diphosphate/geranylgeranyl-diphosphate synthase of Toxoplasma gondii is a bifunctional enzyme and a molecular target of bisphosphonates. The Journal of Biological Chemistry. 282: 30804-16. PMID 17724033 DOI: 10.1074/Jbc.M703178200  0.329
2007 Guo RT, Cao R, Liang PH, Ko TP, Chang TH, Hudock MP, Jeng WY, Chen CK, Zhang Y, Song Y, Kuo CJ, Yin F, Oldfield E, Wang AH. Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases. Proceedings of the National Academy of Sciences of the United States of America. 104: 10022-7. PMID 17535895 DOI: 10.1073/Pnas.0702254104  0.787
2007 Mukkamala D, Zhang Y, Oldfield E. A solid state 13C NMR, crystallographic, and quantum chemical investigation of phenylalanine and tyrosine residues in dipeptides and proteins. Journal of the American Chemical Society. 129: 7385-92. PMID 17506558 DOI: 10.1021/Ja071227Y  0.332
2007 Sanz-Rodríguez CE, Concepción JL, Pekerar S, Oldfield E, Urbina JA. Bisphosphonates as inhibitors of Trypanosoma cruzi hexokinase: kinetic and metabolic studies. The Journal of Biological Chemistry. 282: 12377-87. PMID 17329254 DOI: 10.1074/Jbc.M607286200  0.359
2006 Kotsikorou E, Sahota G, Oldfield E. Bisphosphonate inhibition of phosphoglycerate kinase: quantitative structure-activity relationship and pharmacophore modeling investigation. Journal of Medicinal Chemistry. 49: 6692-703. PMID 17154500 DOI: 10.1021/Jm0604833  0.778
2006 Leon A, Liu L, Yang Y, Hudock MP, Hall P, Yin F, Studer D, Puan KJ, Morita CT, Oldfield E. Isoprenoid biosynthesis as a drug target: bisphosphonate inhibition of Escherichia coli K12 growth and synergistic effects of fosmidomycin. Journal of Medicinal Chemistry. 49: 7331-41. PMID 17149863 DOI: 10.1021/Jm060492B  0.794
2006 Mao J, Mukherjee S, Zhang Y, Cao R, Sanders JM, Song Y, Zhang Y, Meints GA, Gao YG, Mukkamala D, Hudock MP, Oldfield E. Solid-state NMR, crystallographic, and computational investigation of bisphosphonates and farnesyl diphosphate synthase-bisphosphonate complexes. Journal of the American Chemical Society. 128: 14485-97. PMID 17090032 DOI: 10.1021/Ja061737C  0.806
2006 Kervern G, Pintacuda G, Zhang Y, Oldfield E, Roukoss C, Kuntz E, Herdtweck E, Basset JM, Cadars S, Lesage A, Copéret C, Emsley L. Solid-state NMR of a paramagnetic DIAD-FeII catalyst: sensitivity, resolution enhancement, and structure-based assignments. Journal of the American Chemical Society. 128: 13545-52. PMID 17031968 DOI: 10.1021/Ja063510N  0.327
2006 Zhang Y, Song Y, Yin F, Broderick E, Siegel K, Goddard A, Nieves E, Pasa-Tolic L, Tanaka Y, Wang H, Morita CT, Oldfield E. Structural studies of Vgamma2Vdelta2 T cell phosphoantigens. Chemistry & Biology. 13: 985-92. PMID 16984888 DOI: 10.1016/J.Chembiol.2006.08.007  0.558
2006 Zhang Y, Leon A, Song Y, Studer D, Haase C, Koscielski LA, Oldfield E. Activity of nitrogen-containing and non-nitrogen-containing bisphosphonates on tumor cell lines. Journal of Medicinal Chemistry. 49: 5804-14. PMID 16970405 DOI: 10.1021/Jm060280E  0.311
2006 Yin F, Cao R, Goddard A, Zhang Y, Oldfield E. Enthalpy versus entropy-driven binding of bisphosphonates to farnesyl diphosphate synthase. Journal of the American Chemical Society. 128: 3524-5. PMID 16536518 DOI: 10.1021/Ja0601639  0.632
2006 Zhang Y, Oldfield E. 31P NMR chemical shifts in hypervalent oxyphosphoranes and polymeric orthophosphates. The Journal of Physical Chemistry. B. 110: 579-86. PMID 16471570 DOI: 10.1021/Jp054022P  0.348
2006 Benaim G, Sanders JM, Garcia-Marchán Y, Colina C, Lira R, Caldera AR, Payares G, Sanoja C, Burgos JM, Leon-Rossell A, Concepcion JL, Schijman AG, Levin M, Oldfield E, Urbina JA. Amiodarone has intrinsic anti-Trypanosoma cruzi activity and acts synergistically with posaconazole. Journal of Medicinal Chemistry. 49: 892-9. PMID 16451055 DOI: 10.1021/Jm050691F  0.773
2006 Hudock MP, Sanz-Rodríguez CE, Song Y, Chan JM, Zhang Y, Odeh S, Kosztowski T, Leon-Rossell A, Concepción JL, Yardley V, Croft SL, Urbina JA, Oldfield E. Inhibition of Trypanosoma cruzi hexokinase by bisphosphonates. Journal of Medicinal Chemistry. 49: 215-23. PMID 16392806 DOI: 10.1021/Jm0582625  0.778
2006 Gabelli SB, McLellan JS, Montalvetti A, Oldfield E, Docampo R, Amzel LM. Structure and mechanism of the farnesyl diphosphate synthase from Trypanosoma cruzi: implications for drug design. Proteins. 62: 80-8. PMID 16288456 DOI: 10.1002/Prot.20754  0.638
2006 Cao R, Hudock MP, Zhang Y, Wilson SR, Oldfield E. [1-Hydroxy-1-phosphono-2-(trimethylphosphonium-1-yl)ethyl]phosphonate monohydrate Acta Crystallographica Section E: Structure Reports Online. 62: o1055-o1057. DOI: 10.1107/S1600536806005010  0.774
2006 Zhang Y, Cao R, Hudock MP, Wilson SR, Oldfield E. [2-(Dimethylsulfonio)-1-hydroxy-1-phosphonoethyl]phosphonate monohydrate Acta Crystallographica Section E: Structure Reports Online. 62: o1006-o1008. DOI: 10.1107/S1600536806004405  0.769
2006 Cao R, Hudock MP, Zhang Y, Wilson SR, Oldfield E. [2-(3-Fluoropyridinium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonate Acta Crystallographica Section E: Structure Reports Online. 62: o1003-o1005. DOI: 10.1107/S1600536806004387  0.773
2006 Hudock MP, Cao R, Zhang Y, Wilson SR, Oldfield E. 1-hydroxy-1-phosphono-2-(trimethylarsonium-1-yl)ethanephosphonate monohydrate Acta Crystallographica Section E: Structure Reports Online. 62: o843-o845. DOI: 10.1107/S160053680600184X  0.776
2006 Zhang Y, Lewis JC, Bergman RG, Ellman JA, Oldfield E. NMR shifts, orbitals, and M⋯H-X bonding in d 8 square planar metal complexes Organometallics. 25: 3515-3519. DOI: 10.1021/Om060163H  0.541
2005 Kotsikorou E, Song Y, Chan JM, Faelens S, Tovian Z, Broderick E, Bakalara N, Docampo R, Oldfield E. Bisphosphonate inhibition of the exopolyphosphatase activity of the Trypanosoma brucei soluble vacuolar pyrophosphatase. Journal of Medicinal Chemistry. 48: 6128-39. PMID 16162013 DOI: 10.1021/Jm058220G  0.798
2005 Oldfield E. Quantum chemical studies of protein structure. Philosophical Transactions of the Royal Society of London. Series B, Biological Sciences. 360: 1347-61. PMID 16147526 DOI: 10.1098/Rstb.2003.1421  0.328
2005 Cheng F, Sun H, Zhang Y, Mukkamala D, Oldfield E. A solid state 13C NMR, crystallographic, and quantum chemical investigation of chemical shifts and hydrogen bonding in histidine dipeptides. Journal of the American Chemical Society. 127: 12544-54. PMID 16144402 DOI: 10.1021/Ja051528C  0.741
2005 Ling Y, Sahota G, Odeh S, Chan JM, Araujo FG, Moreno SN, Oldfield E. Bisphosphonate inhibitors of Toxoplasma gondi growth: in vitro, QSAR, and in vivo investigations. Journal of Medicinal Chemistry. 48: 3130-40. PMID 15857119 DOI: 10.1021/Jm040132T  0.628
2005 Wi S, Sun H, Oldfield E, Hong M. Solid-state NMR and quantum chemical investigations of 13Calpha shielding tensor magnitudes and orientations in peptides: determining phi and psi torsion angles. Journal of the American Chemical Society. 127: 6451-8. PMID 15853353 DOI: 10.1021/Ja042935B  0.739
2005 Sanders JM, Song Y, Chan JM, Zhang Y, Jennings S, Kosztowski T, Odeh S, Flessner R, Schwerdtfeger C, Kotsikorou E, Meints GA, Gómez AO, González-Pacanowska D, Raker AM, Wang H, ... ... Oldfield E, et al. Pyridinium-1-yl bisphosphonates are potent inhibitors of farnesyl diphosphate synthase and bone resorption. Journal of Medicinal Chemistry. 48: 2957-63. PMID 15828834 DOI: 10.1021/Jm040209D  0.786
2005 Zhang Y, Sun H, Oldfield E. Solid-state NMR fermi contact and dipolar shifts in organometallic complexes and metalloporphyrins. Journal of the American Chemical Society. 127: 3652-3. PMID 15771472 DOI: 10.1021/Ja043461J  0.732
2005 Zhang Y, Mukherjee S, Oldfield E. (67)Zn NMR chemical shifts and electric field gradients in zinc complexes: a quantum chemical investigation. Journal of the American Chemical Society. 127: 2370-1. PMID 15724973 DOI: 10.1021/Ja040242P  0.528
2005 Wouters J, Yin F, Song Y, Zhang Y, Oudjama Y, Stalon V, Droogmans L, Morita CT, Oldfield E. A crystallographic investigation of phosphoantigen binding to isopentenyl pyrophosphate/dimethylallyl pyrophosphate isomerase. Journal of the American Chemical Society. 127: 536-7. PMID 15643873 DOI: 10.1021/Ja040207I  0.593
2005 Gabelli SB, McLellan JS, Montalvetti A, Oldfield E, Docampo R, Amzel LM. The mechanism ofT. cruziFPPS involves a substrate induced conformational change Acta Crystallographica Section a Foundations of Crystallography. 61: c197-c197. DOI: 10.1107/S0108767305091610  0.56
2004 Cheng F, Oldfield E. Inhibition of isoprene biosynthesis pathway enzymes by phosphonates, bisphosphonates, and diphosphates. Journal of Medicinal Chemistry. 47: 5149-58. PMID 15456258 DOI: 10.1021/Jm040036S  0.355
2004 Mao J, Gao YG, Odeh S, Robinson H, Montalvetti A, Docampo R, Oldfield E. Crystallization and preliminary X-ray diffraction study of the farnesyl diphosphate synthase from Trypanosoma brucei. Acta Crystallographica. Section D, Biological Crystallography. 60: 1863-6. PMID 15388934 DOI: 10.1107/S0907444904020633  0.604
2004 Song Y, Zhang Y, Wang H, Raker AM, Sanders JM, Broderick E, Clark A, Morita CT, Oldfield E. Synthesis of chiral phosphoantigens and their activity in gamma delta T cell stimulation. Bioorganic & Medicinal Chemistry Letters. 14: 4471-7. PMID 15357974 DOI: 10.1016/J.Bmcl.2004.06.052  0.502
2004 Yajima S, Hara K, Sanders JM, Yin F, Ohsawa K, Wiesner J, Jomaa H, Oldfield E. Crystallographic structures of two bisphosphonate:1-deoxyxylulose-5-phosphate reductoisomerase complexes. Journal of the American Chemical Society. 126: 10824-5. PMID 15339150 DOI: 10.1021/Ja040126M  0.664
2004 Zhang Y, Oldfield E. On the Mössbauer spectra of isopenicillin N synthase and a model (FeNO)7 (S = 3/2) system. Journal of the American Chemical Society. 126: 9494-5. PMID 15291525 DOI: 10.1021/Ja0401242  0.328
2004 Garzoni LR, Caldera A, Meirelles Mde N, de Castro SL, Docampo R, Meints GA, Oldfield E, Urbina JA. Selective in vitro effects of the farnesyl pyrophosphate synthase inhibitor risedronate on Trypanosoma cruzi. International Journal of Antimicrobial Agents. 23: 273-85. PMID 15164969 DOI: 10.1016/J.Ijantimicag.2003.07.020  0.335
2004 Sun H, Oldfield E. Tryptophan chemical shift in peptides and proteins: a solid state carbon-13 nuclear magnetic resonance spectroscopic and quantum chemical investigation. Journal of the American Chemical Society. 126: 4726-34. PMID 15070392 DOI: 10.1021/Ja030612U  0.741
2004 Zhang Y, Oldfield E. Cytochrome P450: an investigation of the Mössbauer spectra of a reaction intermediate and an Fe(IV)[double bond]O model system. Journal of the American Chemical Society. 126: 4470-1. PMID 15070336 DOI: 10.1021/Ja030664J  0.326
2004 Sanders JM, Ghosh S, Chan JM, Meints G, Wang H, Raker AM, Song Y, Colantino A, Burzynska A, Kafarski P, Morita CT, Oldfield E. Quantitative structure-activity relationships for gammadelta T cell activation by bisphosphonates. Journal of Medicinal Chemistry. 47: 375-84. PMID 14711309 DOI: 10.1021/Jm0303709  0.686
2004 Ghosh S, Chan JM, Lea CR, Meints GA, Lewis JC, Tovian ZS, Flessner RM, Loftus TC, Bruchhaus I, Kendrick H, Croft SL, Kemp RG, Kobayashi S, Nozaki T, Oldfield E. Effects of bisphosphonates on the growth of Entamoeba histolytica and Plasmodium species in vitro and in vivo. Journal of Medicinal Chemistry. 47: 175-87. PMID 14695831 DOI: 10.1021/Jm030084X  0.705
2004 Zhang Y, Oldfield E. Solid-state 31P NMR chemical shielding tensors in phosphonates and bisphosphonates: A quantum chemical investigation Journal of Physical Chemistry B. 108: 19533-19540. DOI: 10.1021/Jp040281N  0.3
2003 Zhang Y, Gossman W, Oldfield E. A density functional theory investigation of Fe-N-O bonding in heme proteins and model systems. Journal of the American Chemical Society. 125: 16387-96. PMID 14692781 DOI: 10.1021/Ja030340V  0.319
2003 Sanders JM, Gómez AO, Mao J, Meints GA, Van Brussel EM, Burzynska A, Kafarski P, González-Pacanowska D, Oldfield E. 3-D QSAR investigations of the inhibition of Leishmania major farnesyl pyrophosphate synthase by bisphosphonates. Journal of Medicinal Chemistry. 46: 5171-83. PMID 14613320 DOI: 10.1021/Jm0302344  0.705
2003 Kotsikorou E, Oldfield E. A quantitative structure-activity relationship and pharmacophore modeling investigation of aryl-X and heterocyclic bisphosphonates as bone resorption agents. Journal of Medicinal Chemistry. 46: 2932-44. PMID 12825934 DOI: 10.1021/Jm030054U  0.776
2003 Wouters J, Oudjama Y, Ghosh S, Stalon V, Droogmans L, Oldfield E. Structure and mechanism of action of isopentenylpyrophosphate-dimethylallylpyrophosphate isomerase. Journal of the American Chemical Society. 125: 3198-9. PMID 12630859 DOI: 10.1021/Ja029171P  0.351
2003 Montalvetti A, Fernandez A, Sanders JM, Ghosh S, Van Brussel E, Oldfield E, Docampo R. Farnesyl pyrophosphate synthase is an essential enzyme in Trypanosoma brucei. In vitro RNA interference and in vivo inhibition studies. The Journal of Biological Chemistry. 278: 17075-83. PMID 12618430 DOI: 10.1074/Jbc.M210467200  0.522
2002 Gossman WL, Wilson SR, Oldfield E. Monosodium [1-hydroxy-2-(1H-imidazol-3-ium-4-yl)ethane-1,1-diyl]bis(phosphonate) tetrahydrate (monosodium isozoledronate). Acta Crystallographica. Section C, Crystal Structure Communications. 58: m599-600. PMID 12466610 DOI: 10.1107/S0108270102019522  0.316
2002 Zhang Y, Mao J, Godbout N, Oldfield E. Mössbauer quadrupole splittings and electronic structure in heme proteins and model systems: a density functional theory investigation. Journal of the American Chemical Society. 124: 13921-30. PMID 12431124 DOI: 10.1021/Ja020298O  0.584
2002 Mao J, Zhang Y, Oldfield E. Nuclear magnetic resonance shifts in paramagnetic metalloporphyrins and metalloproteins. Journal of the American Chemical Society. 124: 13911-20. PMID 12431123 DOI: 10.1021/Ja020297W  0.628
2002 Moreno B, Rodrigues CO, Bailey BN, Urbina JA, Moreno SN, Docampo R, Oldfield E. Magic-angle spinning (31)P NMR spectroscopy of condensed phosphates in parasitic protozoa: visualizing the invisible. Febs Letters. 523: 207-12. PMID 12123833 DOI: 10.1016/S0014-5793(02)02977-0  0.745
2002 Rodriguez N, Bailey BN, Martin MB, Oldfield E, Urbina JA, Docampo R. Radical cure of experimental cutaneous leishmaniasis by the bisphosphonate pamidronate. The Journal of Infectious Diseases. 186: 138-40. PMID 12089677 DOI: 10.1086/341074  0.483
2002 Martin MB, Sanders JM, Kendrick H, de Luca-Fradley K, Lewis JC, Grimley JS, Van Brussel EM, Olsen JR, Meints GA, Burzynska A, Kafarski P, Croft SL, Oldfield E. Activity of bisphosphonates against Trypanosoma brucei rhodesiense. Journal of Medicinal Chemistry. 45: 2904-14. PMID 12086478 DOI: 10.1021/Jm0102809  0.724
2002 Szabo CM, Martin MB, Oldfield E. An investigation of bone resorption and Dictyostelium discoideum growth inhibition by bisphosphonate drugs. Journal of Medicinal Chemistry. 45: 2894-903. PMID 12086477 DOI: 10.1021/Jm010279+  0.777
2002 Zhang Y, Mao J, Oldfield E. (57)Fe Mössbauer isomer shifts of heme protein model systems: electronic structure calculations. Journal of the American Chemical Society. 124: 7829-39. PMID 12083937 DOI: 10.1021/Ja011583V  0.599
2002 Szabo CM, Matsumura Y, Fukura S, Martin MB, Sanders JM, Sengupta S, Cieslak JA, Loftus TC, Lea CR, Lee HJ, Koohang A, Coates RM, Sagami H, Oldfield E. Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates and diphosphates: a potential route to new bone antiresorption and antiparasitic agents. Journal of Medicinal Chemistry. 45: 2185-96. PMID 12014956 DOI: 10.1021/Jm010412Y  0.792
2002 Sun H, Sanders LK, Oldfield E. Carbon-13 NMR shielding in the twenty common amino acids: comparisons with experimental results in proteins. Journal of the American Chemical Society. 124: 5486-95. PMID 11996591 DOI: 10.1021/Ja011863A  0.787
2002 Oldfield E. Chemical shifts in amino acids, peptides, and proteins: from quantum chemistry to drug design. Annual Review of Physical Chemistry. 53: 349-78. PMID 11972012 DOI: 10.1146/Annurev.Physchem.53.082201.124235  0.344
2002 Yardley V, Khan AA, Martin MB, Slifer TR, Araujo FG, Moreno SN, Docampo R, Croft SL, Oldfield E. In vivo activities of farnesyl pyrophosphate synthase inhibitors against Leishmania donovani and Toxoplasma gondii. Antimicrobial Agents and Chemotherapy. 46: 929-31. PMID 11850291 DOI: 10.1128/Aac.46.3.929-931.2002  0.485
2002 O'Connor RD, Byers JA, Arnold WD, Oldfield E, Wooley KL, Schaefer J. Chain packing in ethoxyphenyl-polycarbonate by 13C{2H} REDOR Macromolecules. 35: 2618-2623. DOI: 10.1021/Ma010918Q  0.586
2001 Havlin RH, Laws DD, Bitter HM, Sanders LK, Sun H, Grimley JS, Wemmer DE, Pines A, Oldfield E. An experimental and theoretical investigation of the chemical shielding tensors of (13)C(alpha) of alanine, valine, and leucine residues in solid peptides and in proteins in solution. Journal of the American Chemical Society. 123: 10362-9. PMID 11603987 DOI: 10.1021/Ja0115060  0.791
2001 Szabo CM, Oldfield E. An investigation of bisphosphonate inhibition of a vacuolar proton-pumping pyrophosphatase. Biochemical and Biophysical Research Communications. 287: 468-73. PMID 11554752 DOI: 10.1006/Bbrc.2001.5617  0.737
2001 Ando S, Sarlis NJ, Krishnan J, Feng X, Refetoff S, Zhang MQ, Oldfield EH, Yen PM. Aberrant alternative splicing of thyroid hormone receptor in a TSH-secreting pituitary tumor is a mechanism for hormone resistance. Molecular Endocrinology (Baltimore, Md.). 15: 1529-38. PMID 11518802 DOI: 10.1210/Mend.15.9.0687  0.337
2001 Montalvetti A, Bailey BN, Martin MB, Severin GW, Oldfield E, Docampo R. Bisphosphonates are potent inhibitors of Trypanosoma cruzi farnesyl pyrophosphate synthase. The Journal of Biological Chemistry. 276: 33930-7. PMID 11435429 DOI: 10.1074/Jbc.M103950200  0.539
2001 Moreno B, Bailey BN, Luo S, Martin MB, Kuhlenschmidt M, Moreno SN, Docampo R, Oldfield E. (31)P NMR of apicomplexans and the effects of risedronate on Cryptosporidium parvum growth. Biochemical and Biophysical Research Communications. 284: 632-7. PMID 11396947 DOI: 10.1006/Bbrc.2001.5009  0.792
2001 Martin MB, Grimley JS, Lewis JC, Heath HT, Bailey BN, Kendrick H, Yardley V, Caldera A, Lira R, Urbina JA, Moreno SN, Docampo R, Croft SL, Oldfield E. Bisphosphonates inhibit the growth of Trypanosoma brucei, Trypanosoma cruzi, Leishmania donovani, Toxoplasma gondii, and Plasmodium falciparum: a potential route to chemotherapy. Journal of Medicinal Chemistry. 44: 909-16. PMID 11300872 DOI: 10.1021/Jm0002578  0.658
2001 Sanders LK, Oldfield E. Theoretical investigation of 19F NMR chemical shielding tensors in fluorobenzenes Journal of Physical Chemistry A. 105: 8098-8104. DOI: 10.1021/Jp011114F  0.719
2001 Sanders LK, Arnold WD, Oldfield E. NMR, IR, Mössbauer and quantum chemical investigations of metalloporphyrins and metalloproteins Journal of Porphyrins and Phthalocyanines. 5: 323-333. DOI: 10.1002/Jpp.319  0.796
2000 Szabo CM, Sanders LK, Le HC, Chien EY, Oldfield E. Expression of doubly labeled Saccharomyces cerevisiae iso-1 ferricytochrome c and (1)H, (13)C and (15)N chemical shift assignments by multidimensional NMR. Febs Letters. 482: 25-30. PMID 11018517 DOI: 10.1016/S0014-5793(00)02032-9  0.787
2000 Rodrigues CO, Scott DA, Bailey BN, De Souza W, Benchimol M, Moreno B, Urbina JA, Oldfield E, Moreno SN. Vacuolar proton pyrophosphatase activity and pyrophosphate (PPi) in Toxoplasma gondii as possible chemotherapeutic targets. The Biochemical Journal. 349: 737-45. PMID 10903134 DOI: 10.1042/Bj3490737  0.34
2000 Moreno B, Urbina JA, Oldfield E, Bailey BN, Rodrigues CO, Docampo R. 31P NMR spectroscopy of Trypanosoma brucei, Trypanosoma cruzi, and Leishmania major. Evidence for high levels of condensed inorganic phosphates. The Journal of Biological Chemistry. 275: 28356-62. PMID 10871617 DOI: 10.1074/Jbc.M003893200  0.755
2000 Arnold WD, Oldfield E. The chemical nature of hydrogen bonding in proteins via NMR: J-couplings, chemical shifts, and AIM theory Journal of the American Chemical Society. 122: 12835-12841. DOI: 10.1021/Ja0025705  0.585
2000 Arnold WD, Mao J, Sun H, Oldfield E. Computation of through-space 19F-19F scalar couplings via density functional theory Journal of the American Chemical Society. 122: 12164-12168. DOI: 10.1021/Ja002361K  0.778
2000 Arnold WD, Sanders LK, McMahon MT, Volkov AV, Wu G, Coppens P, Wilson SR, Godbout N, Oldfield E. Experimental, Hartree-Fock, and density functional theory investigations of the charge density, dipole moment, electrostatic potential, and electric field gradients in L-asparagine monohydrate Journal of the American Chemical Society. 122: 4708-4717. DOI: 10.1021/Ja000386D  0.775
1999 Urbina JA, Moreno B, Vierkotter S, Oldfield E, Payares G, Sanoja C, Bailey BN, Yan W, Scott DA, Moreno SN, Docampo R. Trypanosoma cruzi contains major pyrophosphate stores, and its growth in vitro and in vivo is blocked by pyrophosphate analogs. The Journal of Biological Chemistry. 274: 33609-15. PMID 10559249 DOI: 10.1074/Jbc.274.47.33609  0.75
1999 Martin MB, Arnold W, Heath HT, Urbina JA, Oldfield E. Nitrogen-containing bisphosphonates as carbocation transition state analogs for isoprenoid biosynthesis. Biochemical and Biophysical Research Communications. 263: 754-8. PMID 10512752 DOI: 10.1006/Bbrc.1999.1404  0.697
1999 Godbout N, Sanders LK, Salzmann R, Havlin RH, Wojdelski M, Oldfield E. Solid-state NMR, Mossbauer, crystallographic, and density functional theory investigation of Fe-O2 and Fe-O2 analogue metalloporphyrins and metalloproteins Journal of the American Chemical Society. 121: 3829-3844. DOI: 10.1021/Ja9832820  0.734
1998 Urbina JA, Moreno B, Arnold W, Taron CH, Orlean P, Oldfield E. A carbon-13 nuclear magnetic resonance spectroscopic study of inter-proton pair order parameters: a new approach to study order and dynamics in phospholipid membrane systems. Biophysical Journal. 75: 1372-83. PMID 9726938 DOI: 10.1016/S0006-3495(98)74055-X  0.784
1998 Godbout N, Havlin R, Salzmann R, Debrunner PG, Oldfield E. Iron-57 NMR Chemical Shifts and Mössbauer Quadrupole Splittings in Metalloporphyrins, Ferrocytochromec, and Myoglobins:  A Density Functional Theory Investigation† The Journal of Physical Chemistry A. 102: 2342-2350. DOI: 10.1021/Jp972542H  0.315
1998 Salzmann R, Ziegler CJ, Godbout N, McMahon MT, Suslick KS, Oldfield E. Carbonyl complexes of iron(II), ruthenium(II), and osmium(II) 5,10,15,20-tetraphenylporphyrinates: A comparative investigation by x-ray crystallography, solid-state NMR spectroscopy, and density functional theory Journal of the American Chemical Society. 120: 11323-11334. DOI: 10.1021/Ja9740069  0.564
1998 McMahon MT, DeDios AC, Godbout N, Salzmann R, Laws DD, Le H, Havlin RH, Oldfield E. An experimental and quantum chemical investigation of CO binding to heme proteins and model systems: A unified model based on 13C, 17O, and 57Fe nuclear magnetic resonance and57Fe mossbauer and infrared spectroscopies Journal of the American Chemical Society. 120: 4784-4797. DOI: 10.1021/Ja973272J  0.601
1998 Salzmann R, Kaupp M, McMahon MT, Oldfield E. Solid-state nuclear magnetic resonance spectroscopic and quantum chemical investigation of 13C and 17O chemical shift tensors, 17O nuclear quadrupole coupling tensors, and bonding in transition-metal carbonyl complexes and clusters Journal of the American Chemical Society. 120: 4771-4783. DOI: 10.1021/Ja973159T  0.595
1998 Havlin RH, Godbout N, Salzmann R, Wojdelski M, Arnold W, Schulz CE, Oldfield E. An experimental and density functional theoretical investigation of iron-57 Mossbauer quadrupole splittings in organometallic and heme-model compounds: Applications to carbonmonoxy-heme protein structure Journal of the American Chemical Society. 120: 3144-3151. DOI: 10.1021/Ja972619F  0.563
1998 Salzmann R, Wojdelski M, McMahon M, Havlin RH, Oldfield E. A Solid-State Nitrogen-15 Nuclear Magnetic Resonance Spectroscopic and Quantum Chemical Investigation of Nitrosoarene−Metal Interactions in Model Systems and in Heme Proteins Journal of the American Chemical Society. 120: 1349-1356. DOI: 10.1021/Ja971587T  0.555
1997 Pearson JG, Montez B, Le H, Oldfield E, Chien EYT, Sligar SG. Assignment and analysis of fluorine nuclear magnetic resonance spectra of 4-fluorotryptophan myoglobins and hemoglobins Biochemistry. 36: 3590-3599. PMID 9132010 DOI: 10.1021/Bi961664H  0.307
1997 Wu J, Day JB, Franaszczuk K, Montez B, Oldfield E, Wieckowski A, Vuissoz P, Ansermet J. Recent progress in surface NMR-electrochemistry Journal of the Chemical Society, Faraday Transactions. 93: 1017-1026. DOI: 10.1039/A603611B  0.305
1997 Havlin R, McMahon M, Srinivasan R, Le H, Oldfield E. Solid-State NMR and Density Functional Investigation of Carbon-13 Shielding Tensors in Metal−Olefin Complexes† The Journal of Physical Chemistry A. 101: 8908-8913. DOI: 10.1021/Jp972058E  0.573
1997 Pearson JG, Le H, Sanders LK, Godbout N, Havlin RH, Oldfield E. Predicting chemical shifts in proteins: Structure refinement of valine residues by using ab initio and empirical geometry optimizations Journal of the American Chemical Society. 119: 11941-11950. DOI: 10.1021/Ja971461W  0.746
1997 Godbout N, Oldfield E. Density functional study of cobalt-59 nuclear magnetic resonance chemical shifts and shielding tensor elements in Co(III) complexes Journal of the American Chemical Society. 119: 8065-8069. DOI: 10.1021/Ja970981O  0.318
1997 Heller J, Laws DD, Tomaselli M, King DS, Wemmer DE, Pines A, Havlin RH, Oldfield E. Determination of dihedral angles in peptides through experimental and theoretical studies of α-carbon chemical shielding tensors Journal of the American Chemical Society. 119: 7827-7831. DOI: 10.1021/Ja970124K  0.321
1996 de Dios AC, Oldfield E. Recent progress in understanding chemical shifts. Solid State Nuclear Magnetic Resonance. 6: 101-25. PMID 8784950 DOI: 10.1016/0926-2040(95)01207-9  0.649
1996 Le H, Oldfield E. Ab Initio Studies Of Amide-15N Chemical Shifts In Dipeptides : Applications To Protein Nmr Spectroscopy The Journal of Physical Chemistry. 100: 16423-16428. DOI: 10.1021/Jp9606164  0.337
1996 Feeney J, McCormick JE, Bauer CJ, Birdsall B, Moody CM, Starkmann BA, Young DW, Francis P, Havlin RH, Arnold WD, Oldfield E. 19F nuclear magnetic resonance chemical shifts of fluorine containing aliphatic amino acids in proteins: Studies on Lactobacillus casei dihydrofolate reductase containing (2S,4S)-5-fluoroleucine Journal of the American Chemical Society. 118: 8700-8706. DOI: 10.1021/Ja960465I  0.596
1995 Jameson AK, Jameson CJ, de Dios AC, Oldfield E, Gerald RE, Turner GL. 129Xe Magic-angle spinning spectra of xenon in zeolite NaA direct observation of mixed clusters of co-adsorbed species Solid State Nuclear Magnetic Resonance. 4: 1-12. PMID 7894978 DOI: 10.1016/0926-2040(94)00028-B  0.71
1995 Oldfield E. Chemical shifts and three-dimensional protein structures. Journal of Biomolecular Nmr. 5: 217-25. PMID 7787420 DOI: 10.1007/Bf00211749  0.365
1995 Urbina JA, Pekerar S, Le Hb, Patterson J, Montez B, Oldfield E. Molecular order and dynamics of phosphatidylcholine bilayer membranes in the presence of cholesterol, ergosterol and lanosterol: a comparative study using 2H-, 13C- and 31P-NMR spectroscopy Bba - Biomembranes. 1238: 163-176. PMID 7548131 DOI: 10.1016/0005-2736(95)00117-L  0.315
1995 Laws DD, Le H, de Dios AC, Havlin RH, Oldfield E. A Basis Size Dependence Study of Carbon-13 Nuclear Magnetic Resonance Spectroscopic Shielding in Alanyl and Valyl Fragments: Toward Protein Shielding Hypersurfaces Journal of the American Chemical Society. 117: 9542-9546. DOI: 10.1021/Ja00142A023  0.635
1995 Pearson JG, Wang J, Markley JL, Le H, Oldfield E. Protein Structure Refinement Using Carbon-13 Nuclear Magnetic Resonance Spectroscopic Chemical Shifts and Quantum Chemistry Journal of the American Chemical Society. 117: 8823-8829. DOI: 10.1021/Ja00139A016  0.351
1995 Le HB, Pearson JG, Dios ACD, Oldfield E. Protein Structure Refinement and Prediction via NMR Chemical Shifts and Quantum Chemistry Journal of the American Chemical Society. 117: 3800-3807. DOI: 10.1021/Ja00118A016  0.301
1995 Jameson AK, Jameson CJ, de Dios AC, Oldfield E, Gerald RE. Direct observation of distributions of mixed clusters of coadsorbed species in zeolite NaA Studies in Surface Science and Catalysis. 98: 85-86. DOI: 10.1016/S0167-2991(06)81098-0  0.703
1994 Le H, Oldfield E. Correlation between 15N NMR chemical shifts in proteins and secondary structure. Journal of Biomolecular Nmr. 4: 341-348. PMID 8019141 DOI: 10.1007/Bf00179345  0.316
1994 de Dios AC, Laws DD, Oldfield E. Predicting Carbon-13 Nuclear Magnetic Resonance Chemical Shielding Tensors in Zwitterionic L-Threonine and L-Tyrosine via Quantum Chemistry Journal of the American Chemical Society. 116: 7784-7786. DOI: 10.1021/Ja00096A039  0.623
1994 de Dios AC, Oldfield E. Evaluating 19F Chemical Shielding in Fluorobenzenes: Implications for Chemical Shifts in Proteins Journal of the American Chemical Society. 116: 7453-7454. DOI: 10.1021/Ja00095A077  0.618
1994 Dios ACd, Oldfield E. Ab Initio Study of the Effects of Torsion Angles on Carbon-13 Nuclear Magnetic Resonance Chemical Shielding in N-Formyl-L-alanine Amide, N-Formyl-L-valine Amide, and Some Simple Model Compounds: Applications to Protein NMR Spectroscopy Journal of the American Chemical Society. 116: 5307-5314. DOI: 10.1021/Ja00091A040  0.312
1994 Oldfield E, Haase J, Schmitt KD, Schramm SE. Characterization of zeolites and amorphous silica—aluminas by means of aluminum-27 nuclear magnetic resonance spectroscopy: A multifield, multiparameter investigation Zeolites. 14: 101-109. DOI: 10.1016/0144-2449(94)90003-5  0.318
1994 Schmitt KD, Haase J, Oldfield E. Spectral editing : a quantitative application of spin-echo nuclear magnetic resonance spectroscopy to the study of 27Al in zeolite catalysts Zeolites. 14: 89-100. DOI: 10.1016/0144-2449(94)90002-7  0.302
1993 de Dios AC, Pearson JG, Oldfield E. Secondary and tertiary structural effects on protein NMR chemical shifts: an ab initio approach. Science (New York, N.Y.). 260: 1491-6. PMID 8502992 DOI: 10.1126/Science.8502992  0.664
1993 Laws DD, de Dios AC, Oldfield E. NMR chemical shifts and structure refinement in proteins. Journal of Biomolecular Nmr. 3: 607-12. PMID 8219743 DOI: 10.1007/Bf00174614  0.659
1993 Dios ACd, Pearson JG, Oldfield E. Chemical shifts in proteins : an ab initio study of carbon-13 nuclear magnetic resonance chemical shielding in glycine, alanine, and valine residues Journal of the American Chemical Society. 115: 9768-9773. DOI: 10.1021/Ja00074A051  0.337
1993 Pearson JG, Oldfield E, Lee FS, Warshel A. Chemical shifts in proteins: a shielding trajectory analysis of the fluorine nuclear magnetic resonance spectrum of the Escherichia coli galactose binding protein using a multipole shielding polarizability-local reaction field-molecular dynamics approach Journal of the American Chemical Society. 115: 6851-6862. DOI: 10.1021/Ja00068A049  0.319
1993 de Dios AC, Oldfield E. Methods for computing nuclear magnetic resonance chemical shielding in large systems. Multiple cluster and charge field approaches Chemical Physics Letters. 205: 108-116. DOI: 10.1016/0009-2614(93)85175-N  0.627
1992 Adebodun F, Chung J, Montez B, Oldfield E, Shan X. Spectroscopic studies of lipids and biological membranes: carbon-13 and proton magic-angle sample-spinning nuclear magnetic resonance study of glycolipid-water systems. Biochemistry. 31: 4502-4509. PMID 1316149 DOI: 10.1021/Bi00133A017  0.318
1992 Reven L, Oldfield E. Carbon-13 nuclear magnetic resonance spectroscopic study of dodecacarbonyltriiron and -triruthenium supported on metal oxide surfaces Inorganic Chemistry. 31: 243-252. DOI: 10.1021/Ic00028A023  0.604
1991 Park KD, Guo KM, Adebodun F, Chiu ML, Sligar SG, Oldfield E. Distal and proximal ligand interactions in heme proteins: correlations between C-O and Fe-C vibrational frequencies, oxygen-17 and carbon-13 nuclear magnetic resonance chemical shifts, and oxygen-17 nuclear quadrupole coupling constants in C17O- and 13CO-labeled species. Biochemistry. 30: 2333-47. PMID 2001365 DOI: 10.1021/Bi00223A007  0.343
1991 Oldfield E, Adebodun F, Chung J, Montez B, Park KD, Le HB, Phillips B. Carbon-13 nuclear magnetic resonance spectroscopy of lipids: differential line broadening due to cross-correlation effects as a probe of membrane structure. Biochemistry. 30: 11025-8. PMID 1932027 DOI: 10.1021/Bi00110A003  0.33
1991 Reven L, Shore J, Yang S, Duncan T, Schwartz D, Chung J, Oldfield E. O17 nuclear-magnetic-resonance spin-lattice relaxation and Knight-shift behavior in bismuthate, plumbate, and cuprate superconductors Physical Review B. 43: 10466-10471. DOI: 10.1103/Physrevb.43.10466  0.621
1991 Oldfield E, Lee HC, Coretsopoulos C, Adebodun F, Park KD, Yang S, Chung J, Phillips B. Solid-State Oxygen-17 Nuclear Magnetic Resonance Spectroscopic Studies of [17O2] Picket Fence Porphyrin, Myoglobin, and Hemoglobin Journal of the American Chemical Society. 113: 8680-8685. DOI: 10.1021/Ja00023A015  0.771
1991 Oldfield E, Guo K, Augspurger JD, Dykstra CE. A Molecular Model for the Major Conformational Substates in Heme Proteins Journal of the American Chemical Society. 113: 7537-7541. DOI: 10.1021/Ja00020A014  0.33
1990 Ramli E, Ganja EA, Reven L, Oldfield E, Rauchfuss TB. An 17O NMR study on oxygen exchange in YBa2Cu3O7-x Journal of Solid State Chemistry. 86: 279-285. DOI: 10.1016/0022-4596(90)90144-M  0.604
1990 Chung J, Lee HC, Oldfield E. Iron-57 nuclear magnetic resonance spectroscopic study of alkyl isocyanide myoglobins and a comparison of the 57Fe chemical-shift anisotropies of alkyl isocyanide myoglobins, carbonmonoxymyoglobin, ferrocytochrome c, and [57Fe(bipy)3]X2 · 5H2O (X Cl, Br, I) Journal of Magnetic Resonance. 90: 148-157. DOI: 10.1016/0022-2364(90)90373-H  0.33
1990 OLDFIELD E, CORETSOPOULOS C, YANG S, REVEN L, LEE HC, SHORE J, HAN OH, RAMLI E, HINKS D. ChemInform Abstract: 17O NMR Spectroscopic Study of High-Tc Superconductors Cheminform. 21. DOI: 10.1002/chin.199012360  0.577
1989 Oldfield E, Coretsopoulos C, Yang S, Reven L, Lee HC, Shore J, Han OH, Ramli E, Hinks D. 17O nuclear-magnetic-resonance spectroscopic study of high-Tc superconductors. Physical Review. B, Condensed Matter. 40: 6832-6849. PMID 9991058 DOI: 10.1103/Physrevb.40.6832  0.76
1989 Coretsopoulos C, Lee HC, Ramli E, Reven L, Rauchfuss TB, Oldfield E. 17O NMR spectroscopy of magnetically ordered YBa2Cu3O7-x microcrystals. Physical Review. B, Condensed Matter. 39: 781-784. PMID 9947231 DOI: 10.1103/Physrevb.39.781  0.765
1989 Walter TH, Reven L, Oldfield E. Magic-angle spinning carbon-13 NMR spectroscopy of transition-metal carbonyl clusters The Journal of Physical Chemistry. 93: 1320-1326. DOI: 10.1021/J100341A029  0.611
1988 Han OH, Timken HKC, Oldfield E. Solid‐state ‘‘magic‐angle’’ sample‐spinning nuclear magnetic resonance spectroscopic study of group III–V (13–15) semiconductors Journal of Chemical Physics. 89: 6046-6052. DOI: 10.1063/1.455418  0.314
1988 Forbes J, Bowers J, Shan X, Moran L, Oldfield E, Moscarello MA. Some new developments in solid-state nuclear magnetic resonance spectroscopic studies of lipids and biological membranes, including the effects of cholesterol in model and natural systems Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases. 84: 3821-3849. DOI: 10.1039/F19888403821  0.329
1988 Forbes J, Husted C, Oldfield E. High-field, high-resolution proton magic-anglë sample-spinning nuclear magnetic resonance spectroscopic studies of gel and liquid crystalline lipid bilayers and the effects of cholesterol Journal of the American Chemical Society. 110: 1059-1065. DOI: 10.1021/Ja00212A010  0.313
1988 Walter TH, Frauenhoff GR, Shapley JR, Oldfield E. Characterization of a silica-supported trinuclear osmium carbonyl cluster by magic-angle-spinning carbon-13 NMR spectroscopy Inorganic Chemistry. 27: 2561-2563. DOI: 10.1021/Ic00288A001  0.304
1988 Bowers JL, Oldfield E. Quantitative Carbon-13 Nuclear Magnetic Resonance Spectroscopic Study of Mobile Residues in Bacteriorhodopsin Biochemistry. 27: 5156-5161. DOI: 10.1021/Bi00414A031  0.322
1987 Thompson AR, Kunwar AC, Gutowsky HS, Oldfield E. Oxygen-17 and aluminium-27 nuclear magnetic resonance spectroscopic investigations of aluminium(III) hydrolysis products Journal of the Chemical Society, Dalton Transactions. 2317-2322. DOI: 10.1039/Dt9870002317  0.301
1986 Knight CTG, Kirkpatrick RJ, Oldfield E. Silicon-29 NMR structural characterization of two novel germanosilicate cages in a tetramethylammonium germanosilicate solution Journal of the American Chemical Society. 108: 30-33. DOI: 10.1021/Ja00261A007  0.315
1985 Kunwar AC, Gutowsky HS, Oldfield E. The deuterium quadrupole coupling constants of di- and trihalomethanes Journal of Magnetic Resonance (1969). 62: 521-524. DOI: 10.1016/0022-2364(85)90221-5  0.309
1985 Woyciesjes PM, Janes N, Ganapathy S, Hiyama Y, Brown TL, Oldfield E. Nitrogen and oxygen nuclear quadrupole and nuclear magnetic resonance spectroscopic study of NO bonding in pyridine 1‐oxides Magnetic Resonance in Chemistry. 23: 315-321. DOI: 10.1002/Mrc.1260230508  0.333
1984 Keniry MA, Kintanar A, Smith RL, Gutowsky HS, Oldfield E. Nuclear magnetic resonance studies of amino acids and proteins. Deuterium nuclear magnetic resonance relaxation of deuteriomethyl-labeled amino acids in crystals and in Halobacterium halobium and Escherichia coli cell membranes. Biochemistry. 23: 288-98. PMID 6365162 DOI: 10.1021/Bi00297A018  0.31
1984 Kunwar AC, Thompson AR, Gutowsky HS, Oldfield E. Solid state aluminum-27 NMR studies of tridecameric Al-OxoHydroxy clusters in basic aluminum selenate, sulfate, and the mineral zunyite Journal of Magnetic Resonance (1969). 60: 467-472. DOI: 10.1016/0022-2364(84)90058-1  0.315
1983 Schramm S, Oldfield E. Nuclear magnetic resonance studies of amino acids and proteins. Rotational correlation times of proteins by deuterium nuclear magnetic resonance spectroscopy. Biochemistry. 22: 2908-2913. PMID 6871171 DOI: 10.1021/Bi00281A020  0.328
1982 Skarjune R, Oldfield E. Physical studies of cell surface and cell membrane structure. Deuterium nuclear magnetic resonance studies of N-palmitoylglucosylceramide (cerebroside) head group structure Biochemistry. 21: 3154-3160. PMID 7104317 DOI: 10.1021/Bi00256A019  0.306
1982 Oldfield E, Kinsey RA, Kintanar A. [41] Recent advances in the study of bacteriorhodopsin dynamic structure using high-field solid-state nuclear magnetic resonance spectroscopy Methods in Enzymology. 88: 310-325. DOI: 10.1016/0076-6879(82)88044-0  0.312
1980 Huang TH, Skarjune RP, Wittebort RJ, Griffin RG, Oldfield E. Restricted rotational isomerization in polymethylene chains Journal of the American Chemical Society. 102: 7377-7379. DOI: 10.1021/Ja00544A044  0.409
1979 Skarjune R, Oldfield E. Physical studies of cell surface and cell membrane structure: Deuterium nuclear magnetic resonance investigation of deuterium-labelled N-hexadecanoylgalactosylceramides (Cerebrosides) Biochimica Et Biophysica Acta. 556: 208-218. PMID 534624 DOI: 10.1016/0005-2736(79)90043-9  0.326
1979 Rice DM, Hsung JC, King TE, Oldfield E. Protein-lipid interactions. High-field deuterium and phosphorus nuclear magnetic resonance spectroscopic investigation of the cytochrome oxidase-phospholipid interaction and the effects of cholate Biochemistry. 18: 5885-5892. PMID 229904 DOI: 10.1021/Bi00593A020  0.342
1978 Oldfield E, Gilmore R, Glaser M, Gutowsky HS, Hshung JC, Kang SY, King TE, Meadows M, Rice D. Deuterium nuclear magnetic resonance investigation of the effects of proteins and polypeptides on hydrocarbon chain order in model membrane systems. Proceedings of the National Academy of Sciences of the United States of America. 75: 4657-60. PMID 16592570 DOI: 10.1073/Pnas.75.10.4657  0.317
1977 Haberkorn RA, Griffin RG, Meadows MD, Oldfield E. Deuterium nuclear magnetic resonance investigation of the dipalmitoyl lecithin-cholesterol-water system. Journal of the American Chemical Society. 99: 7353-5. PMID 578806 DOI: 10.1021/Ja00464A043  0.453
1975 Oldfield E, Allerhand A. Studies of individual carbon sites of hemoglobins in solution by natural abundance carbon 13 nuclear magnetic resonance spectroscopy. The Journal of Biological Chemistry. 250: 6403-7. PMID 1158866 DOI: 10.13018/Bmr1108  0.584
1975 Oldfield E, Allerhand A. Letter: Identification of tryptophan resonances in natural abundance carbon-13 nuclear magnetic resonance spectra of proteins. Application of partially relaxed Fourier transfrom spectroscopy. Journal of the American Chemical Society. 97: 221-4. PMID 1133334 DOI: 10.1021/Ja00834A057  0.584
1975 Oldfield E, Norton RS, Allerhand A. Studies of individual carbon sites of proteins in solution by natural abundance carbon 13 nuclear magnetic resonance spectroscopy. Strategies for assignments. The Journal of Biological Chemistry. 250: 6381-402. PMID 169240  0.54
1975 Oldfield E, Norton RS, Allerhand A. Studies of individual carbon sites of proteins in solution by natural abundance carbon 13 nuclear magnetic resonance spectroscopy. Relaxation behavior. The Journal of Biological Chemistry. 250: 6368-80. PMID 169239  0.562
1975 OLDFIELD E, ALLERHAND A. ChemInform Abstract: IDENTIFICATION OF TRYPTOPHAN RESONANCES IN NATURAL ABUNDANCE CARBON-13 NUCLEAR MAGNETIC RESONANCE SPECTRA OF PROTEINS, APPLICATION OF PARTIALLY RELAXED FOURIER TRANSFORM SPECTROSCOPY Chemischer Informationsdienst. 6. DOI: 10.1002/Chin.197513062  0.582
1974 GOODMAN RA, OLDFIELD E, ALLERHAND A. ChemInform Abstract: ASSIGNMENTS IN THE NATURAL-ABUNDANCE CARBON-13 NUCLEAR MAGNETIC RESONANCE SPECTRUM OF CHLOROPHYLL A AND A STUDY OF SEGMENTAL MOTION IN NEAT PHYTOL Chemischer Informationsdienst. 5: no-no. DOI: 10.1002/Chin.197404063  0.566
1973 Allerhand A, Childers RF, Oldfield E. Natrual-abundance carbon-13 nuclear magnetic resonance studies in 20-mm sample tubes. Observation of numerous single-carbon resonances of hen egg-white lysozyme. Biochemistry. 12: 1335-41. PMID 4735301 DOI: 10.1021/Bi00731A013  0.565
1973 Allerhand A, Oldfield E. Determination of rotational mobilities of backbone and side-chain carbons of poly(gamma-benzyl L-glutamate) in the helical and random-coil states from measurements of carbon-13 relaxation times and nuclear Overhauser enhancements. Biochemistry. 12: 3428-33. PMID 4731187 DOI: 10.1021/Bi00742A011  0.558
1973 Allerhand A, Childers RF, Oldfield E. Carbon-13 Fourier transform NMR studies in 20 mm sample tubes: observation of individual carbon sites in proteins. Annals of the New York Academy of Sciences. 222: 764-77. PMID 4361880 DOI: 10.1111/J.1749-6632.1973.Tb15303.X  0.561
1973 Oldfield E, Allerhand A. Cytochrome c: observation of numerous single-carbon sites of the reduced and oxidized species by means of natural-abundance 13C nuclear magnetic resonance spectroscopy. Proceedings of the National Academy of Sciences of the United States of America. 70: 3531-5. PMID 4357878 DOI: 10.1073/Pnas.70.12.3531  0.595
1973 Goodman RA, Oldfield E, Allerhand A. Assignments in the natural-abundance carbon-13 nuclear magnetic resonance spectrum of chlorophyll a and a study of segmental motion in neat phytol Journal of the American Chemical Society. 95: 7553-7558. DOI: 10.1021/Ja00804A003  0.565
1973 Allerhand A, Childers R, Oldfield E. Carbon-13 fourier transform nmr at 14.2 kg in a 20 mm probe Journal of Magnetic Resonance (1969). 11: 272-278. DOI: 10.1016/0022-2364(73)90013-9  0.553
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