Prof. Ann E McDermott

Degree(s)
Ph.D., U.C, Berkeley. (1987)
B.S., Harvey Mudd College. (1981)
Email
aem5@columbia.edu
ORCID ID
0000-0002-9249-1649
Google
Scholar Link
Biography

Ann McDermott is the Esther Breslow Professor of Biological Chemistry at Columbia University. She holds a B.Sc. in Chemistry from Harvey Mudd College, and a Ph.D. in Chemistry from U.C. Berkeley, where she worked with Kenneth Sauer and Melvin Klein; subsequently she had postgraduate training at MIT with Dr. Robert Griffin.

Her research concerns the remarkable ability of naturally occurring proteins to catalyze chemical reactions, focusing specifically on the inherent flexibility of enzymes and the coordination of chemistry to conformational exchange, using magnetic resonance methods. Her group carries out assignment and analysis of high-resolution MAS-based NMR spectra of proteins, including intrinsic membrane proteins in native lipid bilayers, microcrystalline proteins, large native assemblies like viral coats, and fibrillar or amyloid proteins.

She is the recipient of the Pure Award in Chemistry (1996) and the Eastern Analytic Symposium Award for Achievement in Magnetic Resonance (2005), and she is an elected member of both the American Academy of Arts and Sciences, and the National Academy of Sciences. At Columbia University she recently served as Associate Vice President for Academic Advising and Science Initiatives in the Arts and Sciences.

Publications

  1. Mompeán, Miguel. , Li, Wenbo. , Li, Jixi. , Laage, Ségolène. , Siemer, Ansgar. B. , Bozkurt, Gunes. , Wu, Hao.. and McDermott, Ann. E. # "The Structure of the Necrosome RIPK1-RIPK3 core, a human hetero-amyloid signaling complex" 2018. Cell :in press link info
  2. Fritzsching, Keith. J. , Itin, B.. and McDermott, Ann. E. # "N,N-Diethylmethylamine as lineshape standard for NMR above 130 K" 2018. Journal of Magnetic Resonance 287 :110-112 link info
  3. Rogawski, Rivkah. , Sergeyev, I.. , Zhang, Yinglu. , Tran, T.. , Yongjun, Li. , Tong, L.. and McDermott, Ann. E. # "NMR Signal Quenching from Bound Biradical Affinity Reagents in DNP Samples" 2017. J. Phys. Chem. B, 121 :10770-10781 link info
  4. Rogawski, Rivkah. , Sergeyev, I.. , Li, Y.. , Ottaviani, M.. , Cornish, V.. and McDermott, Ann. E. "Dynamic Nuclear Polarization Signal Enhancement with High-Affinity Biradical Tags" 2017. Journal of Physical Chemistry B 121 :1169-1175 link info
  5. Xu, Yunyao. , Bhate, M.. and McDermott, Ann. E. "Transmembrane allosteric energetics characterization for strong coupling between proton and potassium ion binding in the KcsA channel" 2017. Proceedings of the National Academy of Sciences of the United States of America 114 :8788-8793 link info
  6. Sergeyev, I.. , Itin, B.. , Rogawski, Rivkah. , Day, L.. and McDermott, Ann. E. "Efficient assignment and NMR analysis of an intact virus using sequential side-chain correlations and DNP sensitization" 2017. Proceedings of the National Academy of Sciences of the United States of America 114 :5171-5176 link info
  7. Rogawski, Rivkah. and McDermott, Ann. E. "New NMR tools for protein structure and function: Spin tags for dynamic nuclear polarization solid state NMR" 2017. Archives of Biochemistry and Biophysics 628 :102-113 link info
  8. Harris, M.. , Struppe, J.. , Wylie, B.. , McDermott, Ann. E. and Thompson, L.. "Multidimensional Solid-State Nuclear Magnetic Resonance of a Functional Multiprotein Chemoreceptor Array" 2016. Biochemistry 55 :3616-3624 link info
  9. Mompeán, M.. , Hervás, R.. , Xu, Yunyao. , Tran, T.. , Guarnaccia, C.. , Buratti, E.. , Baralle, F.. , Tong, L.. , Carrión-Vázquez, M.. , McDermott, Ann. E. and Laurents, D.. "Structural Evidence of Amyloid Fibril Formation in the Putative Aggregation Domain of TDP-43" 2015. Journal of Physical Chemistry Letters 6 :2608-2615 link info
  10. Wylie, B.. , Dzikovski, B.. , Pawsey, S.. , Caporini, M.. , Rosay, M.. , Freed, J.. and McDermott, Ann. E. "Dynamic nuclear polarization of membrane proteins: Covalently bound spin-labels at protein-protein interfaces" 2015. Journal of Biomolecular NMR 61 :361-367 link info
  11. Laage, Ségolène. , Tao, Y.. and McDermott, Ann. E. "Cardiolipin interaction with subunit c of ATP synthase: Solid-state NMR characterization" 2015. Biochimica et Biophysica Acta - Biomembranes 1848 :260-265 link info
  12. Wylie, B.. , Bhate, M.. and McDermott, Ann. E. "Transmembrane allosteric coupling of the gates in a potassium channel" 2014. Proceedings of the National Academy of Sciences of the United States of America 111 :185-190 link info
  13. Sergeyev, I.. , Bahri, S.. , Day, L.. and McDermott, Ann. E. "Pf1 bacteriophage hydration by magic angle spinning solid-state NMR" 2014. Journal of Chemical Physics 141 : link info
  14. Li, Wenbo. and McDermott, Ann. E. "Detection of slow dynamics by solid-state NMR: Application to L-phenylalanine hydrochloride" 2013. Concepts in Magnetic Resonance Part A: Bridging Education and Research 42 A :14-22 link info
  15. Bhate, M.. , Wylie, B.. , Thompson, A.. , Tian, L.. , Nimigean, C.. and McDermott, Ann. E. "Preparation of uniformly isotope labeled KcsA for solid state NMR: Expression, purification, reconstitution into liposomes and functional assay" 2013. Protein Expression and Purification 91 :119-124 link info
  16. Raveendra, B.. , Siemer, Ansgar. B. , Puthanveettil, S.. , Hendrickson, W.. , Kandel, E.. and McDermott, Ann. E. "Characterization of prion-like conformational changes of the neuronal isoform of Aplysia CPEB" 2013. Nature Structural and Molecular Biology 20 :495-501 link info
  17. Catalano, J.. , Sadre-Bazzaz, K.. , Amodeo, G.. , Tong, L.. and McDermott, Ann. E. "Structural evidence: A single charged residue affects substrate binding in cytochrome P450 BM-3" 2013. Biochemistry 52 :6807-6815 link info
  18. Quinn, C.. and McDermott, Ann. E. "Quantifying conformational dynamics using solid-state R1ρ experiments" 2012. Journal of Magnetic Resonance 222 :1-7 link info
  19. Li, J.. , McQuade, T.. , Siemer, Ansgar. B. , Napetschnig, J.. , Moriwaki, K.. , Hsiao, Y.. , Damko, E.. , Moquin, D.. , Walz, T.. , McDermott, Ann. E. , Chan, F.. and Wu, Hao.. "The RIP1/RIP3 necrosome forms a functional amyloid signaling complex required for programmed necrosis" 2012. Cell 150 :339-350 link info
  20. Siemer, Ansgar. B. , Huang, K.. and McDermott, Ann. E. "Protein Linewidth and Solvent Dynamics in Frozen Solution NMR" 2012. PLoS ONE 7 : link info
  21. Bhate, M.. and McDermott, Ann. E. "Protonation state of E71 in KcsA and its role for channel collapse and inactivation" 2012. Proceedings of the National Academy of Sciences of the United States of America 109 :15265-15270 link info
  22. Li, Wenbo. and McDermott, Ann. E. "Investigation of slow molecular dynamics using R-CODEX" 2012. Journal of Magnetic Resonance 222 :74-80 link info
  23. Mao, L.. , Inoue, K.. , Tao, Y.. , Montelione, G.. , McDermott, Ann. E. and Inouye, M.. "Suppression of phospholipid biosynthesis by cerulenin in the condensed Single-Protein-Production (cSPP) system" 2011. Journal of Biomolecular NMR 49 :131-137 link info
  24. Huang, K.. , Siemer, Ansgar. B. and McDermott, Ann. E. "Homonuclear mixing sequences for perdeuterated proteins" 2011. Journal of Magnetic Resonance 208 :122-127 link info
  25. Sergeyev, I.. , Day, L.. , Goldbourt, A.. and McDermott, Ann. E. "Chemical shifts for the unusual DNA structure in Pf1 bacteriophage from dynamic-nuclear-polarization-enhanced solid-state NMR spectroscopy" 2011. Journal of the American Chemical Society 133 :20208-20217 link info
  26. Bauer, A.. , Gieschler, S.. , Lemberg, K.. , McDermott, Ann. E. and Stockwell, B.. "Functional model of metabolite gating by human voltage-dependent anion channel 2" 2011. Biochemistry 50 :3408-3410 link info
  27. Huang, K.. , Amodeo, G.. , Tong, L.. and McDermott, Ann. E. "The structure of human ubiquitin in 2-methyl-2,4-pentanediol: A new conformational switch" 2011. Protein Science 20 :630-639 link info
  28. Xu, Yimin. , Lorieau, J.. and McDermott, Ann. E. "Triosephosphate Isomerase: 15N and 13C Chemical Shift Assignments and Conformational Change upon Ligand Binding by Magic-Angle Spinning Solid-State NMR Spectroscopy" 2010. Journal of Molecular Biology 397 :233-248 link info
  29. Bhate, M.. , Wylie, B.. , Tian, L.. and McDermott, Ann. E. "Conformational dynamics in the selectivity filter of KcsA in response to potassium ion concentration" 2010. Journal of Molecular Biology 401 :155-166 link info
  30. Goldbourt, A.. , Day, L.. and McDermott, Ann. E. "Intersubunit hydrophobic interactions in Pf1 filamentous phage" 2010. Journal of Biological Chemistry 285 :37051-37059 link info
  31. Siemer, Ansgar. B. , Huang, K.. and McDermott, Ann. E. "Protein-ice interaction of an antifreeze protein observed with solid-state NMR" 2010. Proceedings of the National Academy of Sciences of the United States of America 107 :17580-17585 link info
  32. Love, J.. , Mancia, F.. , Shapiro, L.. , Punta, M.. , Rost, B.. , Girvin, M.. , Wang, D.. , Zhou, M.. , Hunt, J.. , Szyperski, T.. , Gouaux, E.. , MacKinnon, R.. , McDermott, Ann. E. , Honig, B.. , Inouye, M.. , Montelione, G.. and Hendrickson, W.. "The New York Consortium on Membrane Protein Structure (NYCOMPS): A high-throughput platform for structural genomics of integral membrane proteins" 2010. Journal of Structural and Functional Genomics 11 :191-199 link info
  33. and McDermott, Ann. E. "Structure and dynamics of membrane proteins by magic angle spinning solid-state NMR" 2009. Annual Review of Biophysics 38 :385-403 link info
  34. Li, Wenbo. and McDermott, Ann. E. "Characterization of slow conformational dynamics in solids: Dipolar CODEX" 2009. Journal of Biomolecular NMR 45 :227-232 link info
  35. Quinn, C.. and McDermott, Ann. E. "Monitoring conformational dynamics with solid-state R1ρ experiments" 2009. Journal of Biomolecular NMR 45 :5-8 link info
  36. Huang, L.. and McDermott, Ann. E. "Partial site-specific assignment of a uniformly 13C, 15N enriched membrane protein, light-harvesting complex 1 (LH1), by solid state NMR" 2008. Biochimica et Biophysica Acta - Bioenergetics 1777 :1098-1108 link info
  37. Siemer, Ansgar. B. and McDermott, Ann. E. "Solid-state NMR on a type III antifreeze protein in the presence of ice" 2008. Journal of the American Chemical Society 130 :17394-17399 link info
  38. Lorieau, J.. , Day, L.. and McDermott, Ann. E. "Conformational dynamics of an intact virus: Order parameters for the coat protein of Pf1 bacteriophage" 2008. Proceedings of the National Academy of Sciences of the United States of America 105 :10366-10371 link info
  39. Jovanovic, T.. , Harris, M.. and McDermott, Ann. E. "Cytochrome P450 BM-3 in complex with its substrate: Temperature-dependent spin state equilibria in the oxidized and reduced states" 2007. Applied Magnetic Resonance 31 :411-429 info
  40. Gross, B.. and McDermott, Ann. E. "Locating hydrogen atoms in single crystal and uniaxially aligned amino acids by solid-state NMR" 2007. Journal of Magnetic Resonance 185 :12-18 link info
  41. Goldbourt, A.. , Gross, B.. , Day, L.. and McDermott, Ann. E. "Filamentous phage studied by magic-angle spinning NMR: Resonance assignment and secondary structure of the coat protein in Pf1" 2007. Journal of the American Chemical Society 129 :2338-2344 link info
  42. Rozovsky, S.. and McDermott, Ann. E. "Substrate product equilibrium on a reversible enzyme, triosephosphate isomerase" 2007. Proceedings of the National Academy of Sciences of the United States of America 104 :2080-2085 link info
  43. Ravindranathan, K.. , Gallicchio, E.. , McDermott, Ann. E. and Levy, R.. "Conformational dynamics of substrate in the active site of cytochrome P450 BM-3/NPG complex: Insights from NMR order parameters" 2007. Journal of the American Chemical Society 129 :474-475 link info
  44. McDermott, Ann. E. and Polenova, T.. "Solid state NMR: new tools for insight into enzyme function" 2007. Current Opinion in Structural Biology 17 :617-622 link info
  45. Goldbourt, A.. , Day, L.. and McDermott, Ann. E. "Assignment of congested NMR spectra: Carbonyl backbone enrichment via the Entner-Doudoroff pathway" 2007. Journal of Magnetic Resonance 189 :157-165 link info
  46. Varga, K.. , Tian, L.. and McDermott, Ann. E. "Solid-state NMR study and assignments of the KcsA potassium ion channel of S. lividans" 2007. Biochimica et Biophysica Acta - Proteins and Proteomics 1774 :1604-1613 link info
  47. Lorieau, J.. and McDermott, Ann. E. "Order parameters based on 13C1H, 13C 1H2 and 13C1H3 heteronuclear dipolar powder patterns: A comparison of MAS-based solid-state NMR sequences" 2006. Magnetic Resonance in Chemistry 44 :334-347 link info
  48. Ravindranathan, K.. , Gallicchio, E.. , Friesner, R.. , McDermott, Ann. E. and Levy, R.. "Conformational equilibrium of cytochrome P450 BM-3 complexed with N-palmitoylglycine: A replica exchange molecular dynamics study" 2006. Journal of the American Chemical Society 128 :5786-5791 link info
  49. Lorieau, J.. and McDermott, Ann. E. "Conformational flexibility of a microcrystalline globular protein: Order parameters by solid-state NMR spectroscopy" 2006. Journal of the American Chemical Society 128 :11506-11512 link info
  50. Igumenova, T.. and McDermott, Ann. E. "Homo-nuclear 13C J-decoupling in uniformly 13C- enriched solid proteins" 2005. Journal of Magnetic Resonance 175 :11-20 link info
  51. Zech, S.. , Wand, A.. and McDermott, Ann. E. "Protein structure determination by high-resolution solid-state NMR spectroscopy: Application to microcrystalline ubiquitin" 2005. Journal of the American Chemical Society 127 :8618-8626 link info
  52. McDermott, Ann. E. , Gustafsson, M.. , Elsam, T.. , Hui, C.. , Emerson Jr., C.. and Borycki, A.. "Gli2 and Gli3 have redundant and context-dependent function in skeletal muscle formation" 2005. Development 132 :345-357 link info
  53. Jovanovic, T.. and McDermott, Ann. E. "Observation of ligand binding to cytochrome P450 BM-3 by means of solid-state NMR sectroscopy" 2005. Journal of the American Chemical Society 127 :13816-13821 link info
  54. Jovanovic, T.. , Farid, R.. , Friesner, R.. and McDermott, Ann. E. "Thermal equilibrium of high- and low-spin forms of cytochrome P450 BM-3: Repositioning of the substrate?" 2005. Journal of the American Chemical Society 127 :13548-13552 link info
  55. Gross, B.. , Tanski, J.. and McDermott, Ann. E. "Structure determination of aligned systems by solid-state NMR magic angle spinning methods" 2005. Journal of Magnetic Resonance 176 :223-233 link info
  56. Igumenova, T.. , McDermott, Ann. E. , Zilm, K.. , Martin, R.. , Paulson, E.. and Wand, A.. "Assignments of carbon NMR resonances for microcrystalline ubiquitin" 2004. Journal of the American Chemical Society 126 :6720-6727 link info
  57. Igumenova, T.. , Wand, A.. and McDermott, Ann. E. "Assignment of the Backbone Resonances for Microcrystalline Ubiquitin" 2004. Journal of the American Chemical Society 126 :5323-5331 link info
  58. Guallar, V.. , Jacobson, M.. , McDermott, Ann. E. and Friesner, R.. "Computational Modeling of the Catalytic Reaction in Triosephosphate Isomerase" 2004. Journal of Molecular Biology 337 :227-239 link info
  59. and McDermott, Ann. E. "Structural and dynamic studies of proteins by solid-state NMR spectroscopy: Rapid movement forward" 2004. Current Opinion in Structural Biology 14 :554-561 link info
  60. Zech, S.. , Olejniczak, E.. , Hajduk, P.. , Mack, J.. and McDermott, Ann. E. "Characterization of protein-ligand interactions by high-resolution solid-state NMR spectroscopy" 2004. Journal of the American Chemical Society 126 :13948-13953 link info
  61. Marulanda, D.. , Tasayco, M.. , McDermott, Ann. E. , Cataldi, M.. , Arriaran, V.. and Polenova, T.. "Magic angle spinning solid-state NMR spectroscopy for structural studies of protein interfaces. Resonance assignments of differentially enriched Escherichia coli thioredoxin reassembled by fragment complementation" 2004. Journal of the American Chemical Society 126 :16608-16620 link info
  62. Jogl, G.. , Rozovsky, S.. , McDermott, Ann. E. and Tong, L.. "Optimal alignment for enzymatic proton transfer: Structure of the Michaelis complex of triosephosphate isomerase at 1.2-Å resolution" 2003. Proceedings of the National Academy of Sciences of the United States of America 100 :50-55 link info
  63. Igumenova, T.. and McDermott, Ann. E. "Improvement of resolution in solid state NMR spectra with J-decoupling: An analysis of lineshape contributions in uniformly 13C-enriched amino acids and proteins" 2003. Journal of Magnetic Resonance 164 :270-285 link info
  64. Sauve, A.. , Cahill, S.. , Zech, S.. , Basso, L.. , Lewandowicz, A.. , Santos, D.. , Grubmeyer, C.. , Evans, G.. , Furneaux, R.. , Tyler, P.. , McDermott, Ann. E. , Girvin, M.. and Schramm, V.. "Ionic states of substrates and transition state analogues at the catalytic sites of N-ribosyltransferases" 2003. Biochemistry 42 :5694-5705 link info
  65. Desamero, R.. , Rozovsky, S.. , Zhadin, N.. , McDermott, Ann. E. and Callender, R.. "Active site loop motion in triosephosphate isomerase: T-jump relaxation spectroscopy of thermal activation" 2003. Biochemistry 42 :2941-2951 link info
  66. Wei, Y.. , Lee, D.. , McDermott, Ann. E. and Ramamoorthy, A.. "A 2D MAS solid-state NMR method to recover the amplified heteronuclear dipolar and chemical shift anisotropic interactions" 2002. Journal of Magnetic Resonance 158 :23-35 link info
  67. Kisko, J.. , Torzilli, M.. , Liu, K.. , McDermott, Ann. E. and Beer, R.. "An iron(III)trichloride adduct of N-isopropylsalicylaldimine: Preparation, x-ray structure and NMR spectroscopic characterization" 2002. Inorganic Chemistry Communications 5 :283-287 link info
  68. Rozovsky, S.. and McDermott, Ann. E. "The time scale of the catalytic loop motion in triosephosphate isomerase" 2001. Journal of Molecular Biology 310 :259-270 link info
  69. Song, X.. and McDermott, Ann. E. "Proton transfer dynamics and N-H bond lengthening in N-H⋯N model systems: A solid-state NMR study" 2001. Magnetic Resonance in Chemistry 39 :S37-S43 info
  70. Song, X.. , Rienstra, Chad. and McDermott, Ann. E. "N-H bond stretching in histidine complexes: A solid-state NMR study" 2001. Magnetic Resonance in Chemistry 39 :S30-S36 info
  71. Gilchrist Jr., M.. , Monde, K.. , Tomita, Y.. , Iwashita, T.. , Nakanishi, K.. and McDermott, Ann. E. "Measurement of interfluorine distances in solids" 2001. Journal of Magnetic Resonance 152 :1-6 link info
  72. Rozovsky, S.. , Jogl, G.. , Tong, L.. and McDermott, Ann. E. "Solution-state NMR investigations of triosephosphate isomerase active site loop motion: Ligand release in relation to active site loop dynamics" 2001. Journal of Molecular Biology 310 :271-280 link info
  73. McDermott, Ann. E. , Polenova, T.. , Bockmann, A.. , Zilm, K.. , Paulson, E.. , Martin, R.. and Montelione, G.. "Erratum: Partial NMR assignments for uniformly (13C, 15)N-enriched BPTI in the solid state (Journal of Biomolecular NMR (2000) vol. 16 (209-219))" 2001. Journal of Biomolecular NMR 19 :389 info
  74. Peshkovsky, A.. and McDermott, Ann. E. "Dipolar Interactions in Molecules Aligned by Strong AC Electric Fields" 2000. Journal of Magnetic Resonance 147 :104-109 info
  75. Monde, K.. , Tomita, Y.. , Gilchrist Jr., M.. , McDermott, Ann. E. and Nakanishi, K.. "Design and preparation of polyphenyl distance markers for solid-state 19F NMR" 2000. Israel Journal of Chemistry 40 :301-306 info
  76. Turro, N.. , Lei, X.. , Li, Wenbo. , Liu, Z.. , McDermott, Ann. E. , Ottaviani, M.. and Abrams, L.. "Photochemical and magnetic resonance investigations of the supramolecular structure and dynamics of molecules and reactive radicals on the external and internal surface of MFI zeolites" 2000. Journal of the American Chemical Society 122 :11649-11659 link info
  77. Li, Wenbo. , Lei, X.. , Lem, G.. , McDermott, Ann. E. , Turro, N.. , Bottke, N.. and Adam, W.. "Oxygen and structural effects on silicalite 29Si spin-lattice relaxation studied by high-resolution 29Si solid-state NMR" 2000. Chemistry of Materials 12 :731-737 link info
  78. Dekker, L.. , Leitges, M.. , Altschuler, G.. , Mistry, N.. , McDermott, Ann. E. , Roes, J.. and Segal, A.. "Protein kinase C-β contributes to NADPH oxidase activation in neutrophils" 2000. Biochemical Journal 347 :285-289 link info
  79. McDermott, Ann. E. , Polenova, T.. , Bockmann, A.. , Zilm, K.. , Paulsen, E.. , Martin, R.. and Montelione, G.. "Partial NMR assignments for uniformly (13C, 15N)-enriched BPTI in the solid state" 2000. Journal of Biomolecular NMR 16 :209-219 link info
  80. Standley, D.. , Eyrich, V.. , Felts, A.. , Friesner, R.. and McDermott, Ann. E. "A branch and bound algorithm for protein structure refinement from sparse NMR data sets" 1999. Journal of Molecular Biology 285 :1691-1710 link info
  81. Polenova, T.. and McDermott, Ann. E. "A coherent mixing mechanism explains the photoinduced nuclear polarization in photosynthetic reaction centers" 1999. Journal of Physical Chemistry B 103 :535-548 info
  82. Wei, Y.. and McDermott, Ann. E. "Effects of hydrogen bonding on 1H chemical shifts" 1999. ACS Symposium Series 732 :177-193 info
  83. Peshkovsky, A.. and McDermott, Ann. E. "NMR spectroscopy in the presence of strong Ac electric fields: Degree of alignment of polar molecules" 1999. Journal of Physical Chemistry A 103 :8604-8611 info
  84. Wei, Y.. , De Dios, A.. and McDermott, Ann. E. "Solid-state 15N NMR chemical shift anisotropy of histidines: Experimental and theoretical studies of hydrogen bonding" 1999. Journal of the American Chemical Society 121 :10389-10394 link info
  85. Lee, H.. , Ortiz De Montellano, P.. and McDermott, Ann. E. "Deuterium magic angle spinning studies of substrates bound to cytochrome P450" 1999. Biochemistry 38 :10808-10813 link info
  86. Lee, H.. , Polenova, T.. , Beer, R.. and McDermott, Ann. E. "Lineshape fitting of deuterium magic angle spinning spectra of paramagnetic compounds in slow and fast limit motion regimes" 1999. Journal of the American Chemical Society 121 :6884-6894 link info
  87. Gu, Z.. , Drueckhammer, D.. , Kurz, L.. , Liu, K.. , Martin, D.. and McDermott, Ann. E. "Solid state NMR studies of hydrogen bonding in a citrate synthase inhibitor complex" 1999. Biochemistry 38 :8022-8031 link info
  88. Rompel, A.. , Cinco, R.. , Latimer, M.. , McDermott, Ann. E. , Guiles, R.. , Quintanilha, A.. , Krauss, R.. , Sauer, K.. , Yachandra, V.. and Klein, M.. "Sulfur K-edge x-ray absorption spectroscopy: A spectroscopic tool to examine the redox state of S-containing metabolites in vivo" 1998. Proceedings of the National Academy of Sciences of the United States of America 95 :6122-6127 link info
  89. Turro, N.. , Lei, X.. , Li, Wenbo. , McDermott, Ann. E. , Abrams, L.. , Oftavianai, M.. and Beard, H.. "Photochemistry and magnetic resonance spectroscopy as probes of supramolecular structures and migration pathways of organic molecules and radicals adsorbed on zeolites" 1998. Chemical Communications :695-696 info
  90. Turro, N.. , McDermott, Ann. E. , Lei, X.. , Li, Wenbo. , Abrams, L.. , Ottaviani, M.. , Beard, H.. , Houk, K.. , Beno, B.. and Lee, P.. "Photochemistry of ketones adsorbed on size/shape selective zeolites. A supramolecular approach to persistent carbon centered radicals" 1998. Chemical Communications :697-698 info
  91. McDermott, Ann. E. , Zysmilich, M.. and Polenova, T.. "Solid state NMR studies of photoinduced polarization in photosynthetic reaction centers: Mechanism and simulations" 1998. Solid State Nuclear Magnetic Resonance 11 :21-47 info
  92. Williams, J.. and McDermott, Ann. E. "Variable NMR spin-lattice relaxation times in secondary amides: Effect of ramachandran angles on librational dynamics" 1998. Journal of Physical Chemistry B 102 :6248-6259 info
  93. Liu, K.. , Williams, J.. , Lee, H.. , Fitzgerald, M.. , Jensen, G.. , Goodin, D.. and McDermott, Ann. E. "Solid-state deuterium nmr of imidazole ligands in cytochrome C peroxidase" 1998. Journal of the American Chemical Society 120 :10199-10202 link info
  94. Standley, D.. , Gunn, J.. , Friesner, R.. and McDermott, Ann. E. "Tertiary structure prediction of mixed α/β proteins via energy minimization" 1998. Proteins: Structure, Function and Genetics 33 :240-252 link info
  95. Polenova, T.. , Iwashita, T.. , Palmer III, A.. and McDermott, Ann. E. "Conformation of the trypanocidal pharmaceutical suramin in its free and bound forms: Transferred nuclear overhauser studies" 1997. Biochemistry 36 :14202-14217 link info
  96. Zysmilich, M.. and McDermott, Ann. E. "Photochemically induced nuclear spin polarization in bacterial photosynthetic reaction centers: Assignments of the 15N SSNMR spectra" 1996. Journal of the American Chemical Society 118 :5867-5873 link info
  97. Gu, Z.. , Ridenour, C.. , Bronnimann, C.. , Iwashita, T.. and McDermott, Ann. E. "Hydrogen bonding and distance studies of amino acids and peptides using solid state 2D 1H-13C heteronuclear correlation spectra" 1996. Journal of the American Chemical Society 118 :822-828 info
  98. Zysmilich, M.. and McDermott, Ann. E. "Natural abundance solid-state carbon NMR studies of photosynthetic reaction centers with photoinduced polarization" 1996. Proceedings of the National Academy of Sciences of the United States of America 93 :6857-6860 link info
  99. Gu, Z.. , Ebisawa, K.. and McDermott, Ann. E. "Hydrogen bonding effects on amine rotation rates in crystalline amino acids" 1996. Solid State Nuclear Magnetic Resonance 7 :161-172 link info
  100. Palmer III, A.. , Williams, J.. and McDermott, Ann. E. "Nuclear magnetic resonance studies of biopolymer dynamics" 1996. Journal of Physical Chemistry 100 :13293-13310 info
  101. Williams, J.. and McDermott, Ann. E. "Dynamics of the Flexible Loop of Triosephosphate Isomerase: The Loop Motion Is Not Ligand Gated" 1995. Biochemistry 34 :8309-8319 link info
  102. Liu, K.. , Ryan, D.. , Nakanishi, K.. and McDermott, Ann. E. "Solid State NMR Studies of Paramagnetic Coordination Complexes: A Comparison of Protons and Deuterons in Detection and Decoupling" 1995. Journal of the American Chemical Society 117 :6897-6906 link info
  103. Becerra, L.. , Gerfen, G.. , Bellew, B.. , Bryant, J.. , Hall, D.. , Inati, S.. , Weber, R.. , Un, S.. , Prisner, T.. , McDermott, Ann. E. , Fishbein, K.. , Kreischer, K.. , Temkin, R.. , Singel, D.. and Griffin, R.. "A Spectrometer for Dynamic Nuclear Polarization and Electron Paramagnetic Resonance at High Frequencies" 1995. Journal of Magnetic Resonance, Series A 117 :28-40 link info
  104. McDermott, Ann. E. , Creuzet, F.. , Griffin, R.. , Gebhard, R.. , van der Hoef, K.. , Lugtenburg, J.. , Levitt, M.. and Herzfeld, J.. "Determination of Internuclear Distances and the Orientation of Functional Groups by Solid-State NMR: Rotational Resonance Study of the Conformation of Retinal in Bacteriorhodopsin" 1994. Biochemistry 33 :6129-6136 link info
  105. Zysmilich, M.. and McDermott, Ann. E. "Photochemically Induced Dynamic Nuclear Polarization in the Solid-State 15N Spectra of Reaction Centers from Photosynthetic Bacteria Rhodobacter spbaeroides R-26" 1994. Journal of the American Chemical Society 116 :8362-8363 link info
  106. Tomita, Y.. , O'Connor, E.. and McDermott, Ann. E. "A Method for Dihedral Angle Measurement in Solids: Rotational Resonance NMR of a Transition-State Inhibitor of Triose Phosphate Isomerase" 1994. Journal of the American Chemical Society 116 :8766-8771 link info
  107. Gu, Z.. , Zambrano, R.. and McDermott, Ann. E. "Hydrogen Bonding of Carboxyl Groups in Solid-State Amino Acids and Peptides: Comparison of Carbon Chemical Shielding, Infrared Frequencies, and Structures" 1994. Journal of the American Chemical Society 116 :6368-6372 link info
  108. Copié, V.. , McDermott, Ann. E. , Beshah, K.. , Griffin, R.. , Williams, J.. , Spijker-Assink, M.. , Gebhard, R.. , Lugtenburg, J.. and Herzfeld, J.. "Deuterium Solid-State Nuclear Magnetic Resonance Studies of Methyl Group Dynamics in Bacteriorhodopsin and Retinal Model Compounds: Evidence for a 6-s-Trans Chromophore in the Protein" 1994. Biochemistry 33 :3280-3286 link info
  109. O'Connor, E.. , Tomita, Y.. and McDermott, Ann. E. "Synthesis of (1, 2‐13C2) 2‐phosphoglycolic acid" 1994. Journal of Labelled Compounds and Radiopharmaceuticals 34 :735-740 link info
  110. Auger, M.. , McDermott, Ann. E. , Robinson, V.. , Castelhano, A.. , Billedeau, R.. , Pliura, D.. , Krantz, A.. and Griffin, R.. "Solid-State 13C NMR Study of a Transglutaminase-Inhibitor Adduct" 1993. Biochemistry 32 :3930-3934 link info
  111. Gu, Z.. and McDermott, Ann. E. "Chemical Shielding Anisotropy of Protonated and Deprotonated Carboxylates in Amino Acids" 1993. Journal of the American Chemical Society 115 :4282-4285 link info
  112. Prisner, T.. , McDermott, Ann. E. , Un, S.. , Norris, J.. , Thurnauer, M.. and Griffin, R.. "Measurement of the g-tensor of the P700+. signal from deuterated cyanobacterial photosystem I particles" 1993. Proceedings of the National Academy of Sciences of the United States of America 90 :9485-9488 info
  113. Williams, J.. and McDermott, Ann. E. "Cis-trans energetics in urea and acetamide studied by deuterium NMR" 1993. Journal of Physical Chemistry 97 :12393-12398 info
  114. Un, S.. , Prisner, T.. , Weber, R.. , Seaman, M.. , Fishbein, K.. , McDermott, Ann. E. , Singel, D.. and Griffin, R.. "Pulsed dynamic nuclear polarization at 5 T" 1992. Chemical Physics Letters 189 :54-59 link info
  115. Thompson, L.. , McDermott, Ann. E. , Raap, J.. , van der Wielen, C.. , Lugtenburg, J.. , Herzfeld, J.. and Griffin, R.. "Rotational Resonance NMR Study of the Active Site Structure in Bacteriorhodopsin: Conformation of the Schiff Base Linkage" 1992. Biochemistry 31 :7931-7938 link info
  116. McDermott, Ann. E. , Creuzet, F.. , Kolbert, A.. and Griffin, R.. "High-resolution magic-angle-spinning NMR spectra of protons in deuterated solids" 1992. Journal of Magnetic Resonance (1969) 98 :408-413 link info
  117. DeRose, V.. , Yachandra, V.. , McDermott, Ann. E. , Britt, R.. , Sauer, K.. and Klein, M.. "Nitrogen Ligation to Manganese in the Photosynthetic Oxygen-Evolving Complex: Continuous-Wave and Pulsed EPR Studies of Photosystem II Particles Containing 14N or 15N" 1991. Biochemistry 30 :1335-1341 link info
  118. Spencer, R.. , Auger, M.. , McDermott, Ann. E. , Griffin, R.. , Halverson, K.. , Griffin, R.. and Lansbury, Jr.. "An Unusual Peptide Conformation May Precipitate Amyloid Formation in Alzheimer’s Disease: Application of Solid-State NMR to the Determination of Protein Secondary Structure" 1991. Biochemistry 30 :10382-10387 link info
  119. McDermott, Ann. E. , Thompson, L.. , Winkel, C.. , Lugtenburg, J.. , Farrar, M.. , Pelletier, S.. , Herzfeld, J.. and Griffin, R.. "Mechanism of Proton Pumping in Bacteriorhodopsin by Solid-State NMR: The Protonation State of Tyrosine in the Light-Adapted and M States" 1991. Biochemistry 30 :8366-8371 link info
  120. Creuzet, F.. , McDermott, Ann. E. , Gebhard, R.. , van der Hoef, K.. , Spijker-Assink, M.. , Herzfeld, J.. , Lugtenburg, J.. , Levitt, M.. and Griffin, R.. "Determination of membrane protein structure by rotational resonance NMR: Bacteriorhodopsin" 1991. Science 251 :783-786 info
  121. Guiles, R.. , Zimmermann, J.. , McDermott, Ann. E. , Yachandra, V.. , Cole, J.. , Dexheimer, S.. , Britt, R.. , Wieghardt, K.. , Bossek, U.. , Sauer, K.. and Klein, M.. "The S3 State of Photosystem II: Differences between the Structure of the Manganese Complex in the S2 and S3 States Determined by X-ray Absorption Spectroscopy" 1990. Biochemistry 29 :471-485 link info
  122. Guiles, R.. , Yachandra, V.. , McDermott, Ann. E. , Cole, J.. , Dexheimer, S.. , Britt, R.. , Sauer, K.. and Klein, M.. "The S0 State of Photosystem II Induced by Hydroxylamine: Differences between the Structure of the Manganese Complex in the S0 and S1 States Determined by X-ray Absorption Spectroscopy" 1990. Biochemistry 29 :486-496 link info
  123. Herzfeld, J.. , Das Gupta, S.. , Farrar, M.. , Harbison, G.. , McDermott, Ann. E. , Pelletier, S.. , Raleigh, D.. , Smith, S.. , Winkel, C.. , Lugtenburg, J.. and Griffin, R.. "Solid-State 13C NMR Study of Tyrosine Protonation in Dark-Adapted Bacteriorhodopsin" 1990. Biochemistry 29 :5567-5574 link info
  124. McDermott, Ann. E. , Creuzet, F.. , Griffin, R.. , Zawadzke, L.. , Ye, Q.. and Walsh, C.. "Rotational resonance determination of the structure of an enzyme-inhibitor complex: Phosphorylation of an (aminoalkyl)phosphinate inhibitor of D-alanyl-D-alanine ligase by ATP" 1990. Biochemistry 29 :5767-5775 link info
  125. McDermott, Ann. E. , Yachandra, V.. , Guiles, R.. , Sauer, K.. , Klein, M.. , Parrett, K.. and Golbeck, J.. "EXAFS Structural Study of FX, the Low-Potential Fe-S Center in Photosystem I" 1989. Biochemistry 28 :8056-8059 link info
  126. Yachandra, V.. , Guiles, R.. , McDermott, Ann. E. , Cole, J.. , DeRose, V.. , Zimmermann, J.. , Sauer, K.. and Klein, M.. "X-ray absorption spectroscopy of Mn in the photosynthetic apparatus" 1989. Physica B: Physics of Condensed Matter 158 :78-80 link info
  127. McDermott, Ann. E. , Yachandra, V.. , Guiles, R.. , Cole, J.. , Dexheimer, S.. , Britt, R.. , Sauer, K.. and Klein, M.. "Characterization of the Manganese 02-Evolving Complex and the Iron-Quinone Acceptor Complex in Photosystem II from a Thermophilic Cyanobacterium by Electron Paramagnetic Resonance and X-ray Absorption Spectroscopy" 1988. Biochemistry 27 :4021-4031 link info
  128. McDermott, Ann. E. , Yachandra, V.. , Guiles, R.. , Britt, R.. , Dexheimer, S.. , Sauer, K.. and Klein, M.. "Low-Potential Iron-Sulfur Centers in Photosystem I:An X-ray Absorption Spectroscopy Study" 1988. Biochemistry 27 :4013-4020 link info
  129. Cole, J.. , Yachandra, V.. , Britt, R.. , McDermott, Ann. E. , Guiles, R.. , Sauer, K.. , Klein, M.. and Dexheimer, S.. "Structure of the Manganese Complex of Photosystem II upon Removal of the 33-Kilodalton Extrinsic Protein: An X-ray Absorption Spectroscopy Study" 1987. Biochemistry 26 :5967-5973 link info
  130. Klein, M.. , Sauer, K.. , Britt, R.. , Yachandra, V.. , Guiles, R.. , McDermott, Ann. E. , Cole, J.. and Dexheimer, S.. "Comparison of the Structure of the Manganese Complex in the S1 and S2 States of the Photosynthetic 02-Evolving Complex: An X-ray Absorption Spectroscopy Study" 1987. Biochemistry 26 :5974-5981 link info
  131. Golbeck, J.. , McDermott, Ann. E. , Jones, W.. and Kurtz, D.. "Evidence for the existence of [2Fe-2S] as well as [4Fe-4S] clusters among FA, FB and FX. Implications for the structure of the Photosystem I reaction center" 1987. BBA - Bioenergetics 891 :94-98 link info
  132. Golbeck, J.. , Parrett, K.. and McDermott, Ann. E. "Photosystem I charge separation in the absence of center A and B. III. Biochemical characterization of a reaction center particle containing P-700 and FX" 1987. BBA - Bioenergetics 893 :149-160 link info
  133. Cole, J.. , Yachandra, V.. , Guiles, R.. , McDermott, Ann. E. , Britt, R.. , Dexheimer, S.. , Sauer, K.. and Klein, M.. "Assignment of the g = 4.1 ERP signal to manganese in the S2 state of the photosynthetic oxygen-evolving complex: An X-ray absorption edge spectroscopy study" 1987. BBA - Bioenergetics 890 :395-398 link info
  134. Yachandra, V.. , Guiles, R.. , McDermott, Ann. E. , Britt, R.. , Dexheimer, S.. , Sauer, K.. and Klein, M.. "The state of manganese in the photosynthetic apparatus. 4. Structure of the manganese complex in Photosystem II studied using EXAFS spectroscopy. The S1 state of the O2-evolving Photosystem II complex from spinach" 1986. BBA - Bioenergetics 850 :324-332 link info