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2012

A.L. Hansen, P. Lundström, A. Velyvis, and L.E. Kay, "Quantifying Millisecond Exchange Dynamics in Proteins by CPMG Relaxation Dispersion NMR Using Side-Chain 1H Probes," J. Am. Chem. Soc. (2012) accepted. http://dx.doi.org/10.1021/ja210711v

C. Escobedo-Martínez, M.C. Lozada, S. Hernández-Ortega, M.L. Villarreal, D. Gnecco, R.G. Enríquez and W. Reynolds, "1H and 13C NMR characterization of new cycloartane triterpenes from Mangifera indica," Magn. Reson. Chem. (2012) online. http://dx.doi.org/10.1002/mrc.2836

J.A. Marsh, J.D. Forman-Kay, "Ensemble modeling of protein disordered states: Experimental restraint contributions and validation," Proteins: Structure, Function, and Bioinformatics 80 (2012) 556–572. http://dx.doi.org/10.1002/prot.23220

A.U. Singer, B. Wu, A. Yee, R.S. Houliston, X. Xu, H. Cui, T. Skarina, M. Garcia, A. Semesi, C.H. Arrowsmith, and A. Savchenko, "Structural analysis of HopPmaL reveals the presence of a second adaptor domain common to the HopAB family of Pseudomonas syringae type III effectors," Biochemistry 51 (2012) 1-3. http://dx.doi.org/10.1021/bi2013883

Y. Powder-George, J. Frank, R.S. Ramsewak and W.F. Reynolds, "The Use of Coupled HSQC Spectra to Aid in Stereochemical Assignments of Molecules with Severe Proton Spectral Overlap," Phytochemical Analysis (2012) online. http://dx.doi.org/10.1002/pca.1354

J. Barette, A. Velyvis, T.L. Religa, D.M. Korzhnev, and L.E. Kay, "Cross Validation of the Structure of a Transiently Formed and Low Populated FF Domain Folding Intermediate Determined by Relaxation Dispersion NMR and CS-Rosetta," J. Phys. Chem. B (2011) accepted. http://dx.doi.org/10.1021/jp209974f

progress J.L. Kitevski-LeBlanca and R.S. Prosser, "Current Applications of 19F NMR to Studies of Protein Structure and Dynamics," Progress in Nuclear Magnetic Resonance Spectroscopy (2011) accepted. (Invited Review) http://dx.doi.org/10.1016/j.pnmrs.2011.06.003

M. Whitfield-Aslund, H. McShane , M.J. Simpson , A.J. Simpson , J. Whalen, W.H. Hendershot, and G. Sunahara, "Earthworm Sub-Lethal Responses to Titanium Dioxide Nanomaterial in Soil Detected by 1H NMR Metabolomics," Environ. Sci. Technol. (2011) accepted. http://dx.doi.org/10.1021/es202327k

2011

A. Espinosa, J. Hennig, A. Ambrosi, M. Anandapadmanaban, M.S. Abelius, Y. Sheng, F. Nyberg, C.H. Arrowsmith, M. Sunnerhagen, M. Wahren-Herlenius, "Anti-Ro52 Autoantibodies from Patients with Sjogren's Syndrome Inhibit the Ro52 E3 Ligase Activity by Blocking the E3/E2 Interface," Journal of Biological Chemistry 286 (2011) 36478-36491. http://dx.doi.org/10.1074/jbc.M111.241786

G.C. Woods, M.J. Simpson, B.G. Pautler, S.F. Lamoureux, M.J. Lafreniere, A.J. Simpson, "Evidence for the enhanced lability of dissolved organic matter following permafrost slope disturbance in the Canadian High Arctic," Geochimica Et Cosmochimica Acta 75 (2011) 7226-7241. http://dx.doi.org/10.1016/j.gca.2011.08.013

K.L. Yap and M. Ikura, "Calmodulin," Encyclopedia of Inorganic and Bioinorganic Chemistry, Wiley (2011).
http://dx.doi.org/10.1002/9781119951438.eibc0504

A.J. Baldwin, H. Lioe, G.R. Hilton, L.A. Baker, J.L. Rubinstein, L.E. Kay, J.L.P. Benesch, "The Polydispersity of alphaB-Crystallin Is Rationalized by an Interconverting Polyhedral Architecture," Structure 19 (2011) 1855-1863. http://dx.doi.org/10.1016/j.str.2011.09.015

J.A. Marsh, J.D. Forman-Kay, "Ensemble modeling of protein disordered states: Experimental restraint contributions and validation," Proteins: Structure, Function, and Bioinformatics 80 (2011) 556-572. http://dx.doi.org/10.1002/prot.23220

S. Tammam, L.M. Sampaleanu, J. Koo, P. Sundaram, M. Ayers, P.A. Chong, J.D. Forman-Kay, L.L. Burrows, P.L. Howell, "Characterization of the PilN, PilO and PilP type IVa pilus subcomplex," Molecular Microbiology 82 (2011) 1496–1514. http://dx.doi.org/10.1111/j.1365-2958.2011.07903.x

A. Lemak, A. Yee, I. Bezsonova, S. Dhe-Paganon, C.H. Arrowsmith, "Zn-binding AZUL domain of human ubiquitin protein ligase Ube3A," Journal of Biomolecular NMR 51 (2011) 185-190. http://dx.doi.org/10.1007/s10858-011-9552-y

M.S. Al-Abdul-Wahid, R. Verardi, G. Veglia, R.S. Prosser, "Topology and immersion depth of an integral membrane protein by paramagnetic rates from dissolved oxygen," Journal of Biomolecular NMR 51 (2011) 173-183.
http://dx.doi.org/10.1007/s10858-011-9551-z

P. Vallurupalli, G. Bouvignies, and L.E. Kay, "Increasing the Exchange Time-Scale That Can Be Probed by CPMG Relaxation Dispersion NMR," J. Phys. Chem. B 115 (2011) 14891–14900. http://dx.doi.org/10.1021/jp209610v

J.R. Bothe, E.N. Nikolova, C.D. Eichhorn, J. Chugh, A.L. Hansen and H.M. Al-Hashimi, "Characterizing RNA dynamics at atomic resolution using solution-state NMR spectroscopy," Nature Methods 8 (2011) 919–931. (Review) http://dx.doi.org/10.1038/nmeth.1735

H. Sun, L.E. Kay, and V. Tugarinov, "An Optimized Relaxation-Based Coherence Transfer NMR Experiment for the Measurement of Side-Chain Order in Methyl-Protonated, Highly Deuterated Proteins," J. Phys. Chem. B 115 (2011) 14878–14884. http://dx.doi.org/10.1021/jp209049k

M. Seino, W. Wang, J.E. Lofgreen, D.P. Puzzo, T. Manabe, and G.A. Ozin, "Low-k Periodic Mesoporous Organosilica with Air Walls: POSS-PMO," J. Am. Chem. Soc. 133 (2011) 18082–18085. http://dx.doi.org/10.1021/ja2080136

NMR Spectroscopy of Polymers P.M. Macdonald, "Diffusion NMR of Polymers in Bicelles," Chapter 14, NMR Spectroscopy of Polymers: Innovative Strategies for Complex Macromolecules, Eds. H.N. Cheng, T. Asakura, A.D. English, ACS (2011) pp. 221-250. http://dx.doi.org/10.1021/bk-2011-1077.ch014

J.R. McKelvie, D.M. Wolfe, M.A. Celejewski, M. Alaee, A.J. Simpson, M.J. Simpson, "Metabolic responses of Eisenia fetida after sub-lethal exposure to organic contaminants with different toxic modes of action," Environmental Pollution 159 (2011) 3620-3626. http://dx.doi.org/10.1016/j.envpol.2011.08.002

J.S. Clemente, A.J. Simpson, M.J. Simpson, "Association of specific organic matter compounds in size fractions of soils under different environmental controls," Organic Geochemistry 42 (2011) 1169-1180. http://dx.doi.org/10.1016/j.orggeochem.2011.08.010

V. Kanelis, P.A. Chong, J.D. Forman-Kay, "NMR spectroscopy to study the dynamics and interactions of CFTR," Methods in molecular biology 741 (2011) 377-403. http://dx.doi.org/10.1007/978-1-61779-117-8_25

A.L. Hansen, L.E. Kay, "Quantifying millisecond time-scale exchange in proteins by CPMG relaxation dispersion NMR spectroscopy of side-chain carbonyl groups," Journal of Biomolecular NMR 50 (2011) 347-355. http://dx.doi.org/10.1007/s10858-011-9520-6

G. Bouvignies, P. Vallurupalli, D.F. Hansen, B.E. Correia, O. Lange, A. Bah, R.M. Vernon, F.W. Dahlquist, D. Baker and L.E. Kay, "Solution structure of a minor and transiently formed state of a T4 lysozyme mutant," Nature 477 (2011) 111–114. http://dx.doi.org/10.1038/nature10349

P.M. Macdonald, R. Soong, "Diffusion NMR and bicelle morphology," Canadian Journal of Chemistry 89 (2011) 1021-1035. (Review) (Special Issue) http://dx.doi.org/10.1139/v11-038

L.E. Kay, "NMR studies of protein structure and dynamics – A look backwards and forwards," Journal of Magnetic Resonance 213 (2011) 492–494. (Advances in Magnetic Resonance) http://dx.doi.org/10.1016/j.jmr.2011.08.010

A.J. Baldwin, H. Lioe, C.V. Robinson, L.E. Kay, J.L.P. Benesch, "alfaB-crystallin polydispersity is a consequence of unbiased quaternary dynamics," Journal of Molecular Biology 413 (2011) 297-309. http://dx.doi.org/10.1016/j.jmb.2011.07.016

A.J. Baldwin, G.R. Hilton, H. Lioe, C. Bagneris, J.L.P. Benesch, L.E. Kay, "Quaternary dynamics of alfaB-crystallin as a direct consequence of localised tertiary fluctuations in the C-terminus," Journal of Molecular Biology 413 (2011) 310-320. http://dx.doi.org/10.1016/j.jmb.2011.07.017

J. Giri, M.S. Diallo, A.J. Simpson, Y. Liu, W.A. Goddard, R. Kumar, G.C. Woods, "Interactions of Poly(amidoamine) Dendrimers with Human Serum Albumin: Binding Constants and Mechanisms," ACS NANO 5 (2011) 3456-3468. http://dx.doi.org/10.1021/nn1021007

M.S. Al-Abdul-Wahid, F. Evanics, R.S. Prosser, "Dioxygen Transmembrane Distributions and Partitioning Thermodynamics in Lipid Bilayers and Micelles," Biochemistry 50 (2011) 3975-3983. http://dx.doi.org/10.1021/bi200168n

N. Nady, A. Lemak, J.R. Walker, G.V. Avvakumov, M.S. Kareta, M. Achour, S. Xue, S. Duan, A. Allali-Hassani, X. Zuo, Y.-X. Wang, C. Bronner, F. Chédin, C.H. Arrowsmith and S. Dhe-Paganon, "Recognition of multivalent histone states associated with heterochromatin by UHRF1 protein," Journal of Biological Chemistry 286 (2011) 24300-24311. http://dx.doi.org/10.1074/jbc.M111.234104

J. Yuk, M.J. Simpson, A.J. Simpson, "1-D and 2-D NMR metabolomics of earthworm responses to sub-lethal trifluralin and endosulfan exposure," Environmental Chemistry 8 (2011) 281-294. http://dx.doi.org/10.1071/EN11033

J.G. Longstaffe and A.J. Simpson, "Understanding solution-state noncovalent interactions between xenobiotics and natural organic matter using 19F/1H heteronuclear saturation transfer difference nuclear magnetic resonance spectroscopy," Environmental Toxicology and Chemistry 30
(2011) 1745–1753. http://dx.doi.org/10.1002/etc.560

H. Kato, H. van Ingen, B.-R. Zhou, H. Feng, M. Bustin, L.E. Kay, and Y. Bai, "Architecture of the high mobility group nucleosomal protein 2-nucleosome complex as revealed by methyl-based NMR," Proc. Natl. Acad. Sci. USA 108 (2011) 12283-12288. http://dx.doi.org/10.1073/pnas.1105848108

E.D. De Araujo, L.K. Ikeda, S. Tzvetkova, and V. Kanelis, "The first nucleotide binding domain of the sulfonylurea receptor 2A contains regulatory elements and is folded and functions as an independent module," Biochemistry 50 (2011) 6655-6666. http://dx.doi.org/10.1021/bi200434d

B.R.G. Gordon, Y. Li, A. Cote, M.T. Weirauch, P. Ding, T.R. Hughes, W.W. Navarre, B. Xia, and J. Liua, "Structural basis for recognition of AT-rich DNA by unrelated xenogeneic silencing proteins," Proc. Natl. Acad. Sci. USA 108 (2011) 10690-10695. (F1000 evaluation) http://dx.doi.org/10.1073/pnas.1102544108

D.M. Korzhnev, R.M. Vernon, T.L. Religa, A.L. Hansen, D. Baker, A.R Fersht, and L.E. Kay, "Non-Native Interactions in the FF Domain Folding Pathway From an Atomic Resolution Structure of a Sparsely Populated Intermediate: An NMR Relaxation Dispersion Study," J. Am. Chem. Soc. 133 (2011) 10974-10982. http://dx.doi.org/10.1021/ja203686t

B.P. Lankadurai, D.M. Wolfe, A.J. Simpson, M.J. Simpson, "1H NMR-based metabolomics of time-dependent responses of Eisenia fetida to sub-lethal phenanthrene exposure," Environmental Pollution 159 (2011) 2845-2851. http://dx.doi.org/10.1016/j.envpol.2011.04.044

M.V. McCaul, D. Sutton, A.J. Simpson, A. Spence, D.J. McNally, B.W. Moran, A. Goel, B. O’Connor, K. Hart and B.P. Kelleher, "Composition of dissolved organic matter within a lacustrine environment," Environmental Chemistry 8 (2011) 146–154. http://dx.doi.org/10.1071/EN10109

B.P. Lankadurai, D.M. Wolfe, A.J. Simpson, M.J. Simpson, "1H NMR-based metabolomic observation of a two-phased toxic mode of action in Eisenia fetida after sub-lethal phenanthrene exposure," Environmental Chemistry 8 (2011) 105-114. http://dx.doi.org/10.1071/EN10094

T.L. Religa, A.M. Ruschak, R. Rosenzweig, and L.E. Kay, "Site-Directed Methyl Group Labeling as an NMR Probe of Structure and Dynamics in Supra-Molecular Protein Systems: Applications to the Proteasome and to the ClpP Protease," J. Am. Chem. Soc. 133 (2011) 9063-9068. http://dx.doi.org/10.1021/ja202259a

D.F. Hansen and L.E. Kay, "Determining Valine Side-Chain Rotamer Conformations in Proteins from Methyl 13C Chemical Shifts: Application to the 360 kDa Half-Proteasome," J. Am. Chem. Soc. 133 (2011) 8272–8281. http://dx.doi.org/10.1021/ja2014532

B.G. Pautler, A.J. Simpson, M.J. Simpson, L.-H. Tseng, M. Spraul, A. Dubnick, M.J. Sharp, and S.J. Fitzsimons, "Detection and Structural Identification of Dissolved Organic Matter in Antarctic Glacial Ice at Natural Abundance by SPR-W5-WATERGATE 1H NMR Spectroscopy," Environ. Sci. Technol. 45 (2011) 4710–4717. http://dx.doi.org/10.1021/es200697c

J.A. Pedersen, M.A. Simpson, J.G. Bockheim, K. Kumar, "Characterization of soil organic carbon in drained thaw-lake basins of arctic Alaska using NMR and FTIR photoacoustic spectroscopy," Organic Geochemistry 42 (2011) 947-954. http://dx.doi.org/10.1016/j.orggeochem.2011.04.003

G. Bouvignies, P. Vallurupalli, M.H.J. Cordes, D.F. Hansen, L.E. Kay, "Measuring 1H-N temperature coefficients in invisible protein states by relaxation dispersion NMR spectroscopy," Journal of Biomolecular NMR 50 (2011) 13-18. http://dx.doi.org/10.1007/s10858-011-9498-0

M.L. Whitfield Åslund, A.J. Simpson, M.J. Simpson, "1H NMR metabolomics of earthworm responses to polychlorinated biphenyl (PCB) exposure in soil," Ecotoxicology 20 (2011) 836-846. http://dx.doi.org/10.1007/s10646-011-0638-9

G.C. Woods, M.J. Simpson, P.J. Koerner, A. Napoli, and A.J. Simpson, "HILIC-NMR: Toward the Identification of Individual Molecular Components in Dissolved Organic Matter," Environ. Sci. Technol. 45 (2011) 3880-3886. http://dx.doi.org/10.1021/es103425s

S. Sharpe, K. Simonetti, J. Yau, and P. Walsh, "Solid-State NMR Characterization of Autofluorescent Fibrils Formed by the Elastin-Derived Peptide GVGVAGVG," Biomacromolecules 12 (2011) 1546-1555. http://dx.doi.org/10.1021/bm101486s

M.-P. Nieh, V.A. Raghunathan, G. Pabst, T. Harroun, K. Nagashima, H. Morales, J. Katsaras, and P. Macdonald, "Temperature Driven Annealing of Perforations in Bicellar Model Membranes," Langmuir 27 (2011) 4838-4847. http://dx.doi.org/10.1021/la104750x

X. Feng and M.J. Simpson, "Molecular-level methods for monitoring soil organic matter responses to global climate change," Journal of Environmental
Monitoring 13 (2011) 1246-1254. http://dx.doi.org/10.1039/c0em00752h

Z. Xie, E.J. Henderson, O. Dag, W. Wang, J.E. Lofgreen, C. Kbel, T. Scherer, P.M. Brodersen, Z.-Z. Gu, and G.A. Ozin, "Periodic Mesoporous Hydridosilica - Synthesis of an “Impossible” Material and Its Thermal Transformation into Brightly Photoluminescent Periodic Mesoporous Nanocrystal Silicon-Silica Composite," J. Am. Chem. Soc. 133 (2011) 5094-5102. http://dx.doi.org/10.1021/ja111495x

M. Dey, A. Velyvis, J.J. Li, E. Chiu, D. Chiovitti, L.E. Kay, F. Sicheri, and T.E. Dever, "Requirement for kinase-induced conformational change in eukaryotic initiation factor 2a (eIF2a) restricts phosphorylation of Ser51," Proc. Natl. Acad. Sci. USA 108 (2011) 4316-4321. http://dx.doi.org/10.1073/pnas.1014872108

A. Spence, A.J. Simpson, D.J. McNally, B.W. Moran, M.V. McCaul, K. Hart, B. Paull, B.P. Kelleher, "The Degradation Characteristics of Microbial Biomass in Soil," Geochimica et Cosmochimica Acta 75 (2011) 2571-2581. http://dx.doi.org/10.1016/j.gca.2011.03.012

L.E. Kay, "Solution NMR Spectroscopy of Supra-Molecular Systems, Why Bother? A Methyl TROSY View," Journal of Magnetic Resonance 210 (2011) 159-170. (Perspectives in Magnetic Resonance) http://dx.doi.org/10.1016/j.jmr.2011.03.008

progress A.J. Simpson, D.J. McNally, M.J. Simpson "NMR Spectroscopy in Environmental Research: From Molecular Interactions to Global Processes," Progress in Nuclear Magnetic Resonance Spectroscopy 58 (2011) 97-175. (Invited Review) http://dx.doi.org/10.1016/j.pnmrs.2010.09.001

J.W. Thomson, K. Nagashima, P.M. Macdonald, and G.A. Ozin, "From Sulfur-Amine Solutions to Metal Sulfide Nanocrystals: Peering into the Oleylamine-Sulfur Black Box," J. Am. Chem. Soc. 133 (2011) 5036-5041. http://dx.doi.org/10.1021/ja1109997

J.E. Lofgreen, I.L. Moudrakovski, and G.A. Ozin, "Molecularly Imprinted Mesoporous Organosilica," ACS Nano 5 (2011) 2277-2287. http://dx.doi.org/10.1021/nn1035697

M. Whitfield-Åslund, M. Celejewski, B.P. Lankadurai, A.J. Simpson, M.J. Simpson, "Natural variability and correlations in the metabolic profile of healthy Eisenia fetida earthworms observed using 1H NMR metabolomics," Chemosphere 83 (2011) 1096-1101. http://dx.doi.org/10.1016/j.chemosphere.2011.01.036

J. Shloush, J.E. Vlassov, I. Engson, S. Duan, V. Saridakis, S. Dhe-paganon, B. Raught, Y. Sheng, and C.H. Arrowsmith, "Structural and Functional Comparison of the RING Domains of Two p53 E3 Ligases, Mdm2 and Pirh2," Journal of Biological Chemistry 286 (2011) 4796-4808. http://dx.doi.org/10.1074/jbc.M110.157669

S. Ko, H. Kim, J. Yun, A. Yee, C.H. Arrowsmith, C. Cheong, W. Lee, "Solution structure of MTH1821, a putative structure homologue to RNA polymerase a subunit from Methanobacterium thermoautotrophicum," Proteins: Structure, Function and Bioformatics 79 (2011) 1347-1351. http://dx.doi.org/10.1002/prot.22956

J.R. Brender, R.P.R. Nanga, N. Popovych, R. Soong, P.M. Macdonald, A. Ramamoorthy, "The amyloidogenic SEVI precursor, PAP248-286, is highly unfolded in solution despite an underlying helical tendency," Biochimica et Biophysica Acta (BBA) - Biomembranes 1808 (2011) 1161-1169. http://dx.doi.org/10.1016/j.bbamem.2011.01.010

G. Bouvignies, D.F. Hansen, P. Vallurupalli, and L.E. Kay, "Divided-Evolution-Based Pulse Scheme for Quantifying Exchange Processes in Proteins: Powerful Complement to Relaxation Dispersion Experiments," J. Am. Chem. Soc. 133 (2011) 1935-1945. http://dx.doi.org/10.1021/ja109589y

X. Feng, K. Hills, A.J. Simpson, J.K. Whalen, M.J. Simpson, "The role of biodegradation and photo-oxidation in the transformation of terrigenous
organic matter," Organic Geochemistry 42 (2011) 262-274. http://dx.doi.org/10.1016/j.orggeochem.2011.01.002

L. Zheng, P.B. Stathopulos, R. Schindl, G.-Y. Li, C. Romanin, and M. Ikura, "Auto-inhibitory role of the EF-SAM domain of STIM proteins in store-operated calcium entry," Proc. Natl. Acad. Sci. USA 108 (2011) 1337-1342. http://dx.doi.org/10.1073/pnas.1015125108

A. Lemak, A. Gutmanas, S. Chitayat, M. Karra, C. Farès, M. Sunnerhagen, C.H. Arrowsmith, "A novel strategy for NMR resonance assignment and protein structure determination," Journal of Biomolecular NMR 49 (2011) 27-38. (F1000 evaluation) http://dx.doi.org/10.1007/s10858-010-9458-0

L. Kaustov, H. Ouyang, M. Amaya, A. Lemak, N. Nady, S. Duan, G.A. Wasney, Z. Li, M. Vedadi, M. Schapira, J. Min and C.H. Arrowsmith, "Recognition and Specificity Determinants of the Human Cbx Chromodomains," Journal of Biological Chemistry 286 (2011) 521-529. http://dx.doi.org/10.1074/jbc.M110.191411

A.S. Pinheiro, J.A. Marsh, J.D. Forman-Kay, and W. Peti, "Structural Signature of the MYPT1-PP1 Interaction," J. Am. Chem. Soc. 133 (2011) 73–80. http://dx.doi.org/10.1021/ja107810r

G. Song, M.H.B. Hayes, E.H. Novotny, A.J. Simpson, "Isolation and fractionation of soil humin using alkaline urea and dimethylsulphoxide plus sulphuric acid," Naturwissenschaften 98 (2011) 7-13. http://dx.doi.org/10.1007/s00114-010-0733-4

2010

L.L. Mao, P.B. Stathopulos, M. Ikura, M. Inouye, "Secretion of human superoxide dismutase in Escherichia coli using the condensed single-protein-production system," Protein Science 19 (2010) 2330-2335. http://dx.doi.org/10.1002/pro.512

J. Yuk, J.R. McKelvie, M.J. Simpson, M. Spraul, A.J. Simpson, "Comparison of 1-D and 2-D NMR techniques for screening earthworm responses to sub-lethal endosulfan exposure," Environmental Chemistry 7 (2010) 524-536. http://dx.doi.org/10.1071/EN10084

E. Kupce, L.E. Kay, and R. Freeman, "Detecting the “Afterglow” of 13C NMR in Proteins Using Multiple Receivers," J. Am. Chem. Soc. 132 (2010) 18008–18011. http://dx.doi.org/10.1021/ja1080025

J.L. Kitevski-LeBlanc, F. Evanics and R.S. Prosser, "Optimizing 19F NMR protein spectroscopy by fractional biosynthetic labeling," Journal of Biomolecular NMR 48 (2010) 113-121. http://dx.doi.org/10.1007/s10858-010-9443-7

H. Mizuno, T.K. Mal, M. Wälchli, T. Fukano, M. Ikura, A. Miyawaki, "Molecular basis of photochromism of a fluorescent protein revealed by direct 13C detection under laser illumination," Journal of Biomolecular NMR 48 (2010) 237-246. http://dx.doi.org/10.1007/s10858-010-9453-5

S. Ko, G.B. Kang, S.M. Song, J.-G. Lee, D.Y. Shin, J.-H. Yun, Y. Sheng, C. Cheong, Y.H. Jeon, Y.-K. Jung, C.H. Arrowsmith, G.V. Avvakumov, S. Dhe-Paganon, Y.J. Yoo, S.H. Eom, and W. Lee, "Structural Basis of E2-25K/UBB+1 Interaction Leading to Proteasome Inhibition and Neurotoxicity," Journal of Biological Chemistry 285 (2010) 36070-36080. http://dx.doi.org/10.1074/jbc.M110.145219

J. Chan, H. Yamazaki, N. Ishiyama, M.-D. Seo, T.K. Mal, T. Michikawa, K. Mikoshiba, and M. Ikura, "Structural Studies of Inositol 1,4,5-Trisphosphate Receptor COUPLING LIGAND BINDING TO CHANNEL GATING," Journal of Biological Chemistry 285 (2010) 36092-36099. http://dx.doi.org/10.1074/jbc.M110.140160

P.A. Chong, H. Lin, J.L. Wrana, and J.D. Forman-Kay, "Coupling of tandem Smad ubiquitination regulatory factor (Smurf) WW domains modulates target specificity," Proc. Natl. Acad. Sci. USA 107 (2010) 18404-18409. http://dx.doi.org/10.1073/pnas.1003023107

A.M. Ruschak, A. Velyvis, L.E. Kay, "A simple strategy for 13C,1H labeling at the Ile-y2 methyl position in highly deuterated proteins," Journal of Biomolecular NMR 48 (2010) 129-135. http://dx.doi.org/10.1007/s10858-010-9449-1

A.M. Ruschak, T.L. Religa, S. Breuer, S. Witt and L.E. Kay, "The proteasome antechamber maintains substrates in an unfolded state," Nature 467 (2010) 868–871. http://dx.doi.org/10.1038/nature09444

J.-X. Lu, S. Sharpe, R. Ghirlando, W.-M. Yau, R. Tycko, "Oligomerization state and supramolecular structure of the HIV-1 Vpu protein transmembrane segment in phospholipid bilayers," Protein Science 19 (2010) 1877-1896. http://dx.doi.org/10.1002/pro.474

J.C. D'eon, A.J. Simpson, R. Kumar, A.J. Baer, S.A. Mabury, "Determining the molecular interactions of perfluorinated carboxylic acids with human sera and isolated human serum albumin using nuclear magnetic resonance spectroscopy," Environmental Toxicology and Chemistry 29 (2010) 1678-1688. http://dx.doi.org/10.1002/etc.204

D.M. Korzhnev, T.L. Religa, W.Banachewicz, A.R. Fersht, L.E. Kay, "A Transient and Low-Populated Protein-Folding Intermediate at Atomic Resolution", Science 329 (2010) 1312-1316. (F1000 evaluation) http://dx.doi.org/10.1126/science.1191723

N. Fatemi, D.M. Korzhnev, A. Velyvis, B. Sarkar and J.D. Forman-Kay, "NMR Characterization of Copper-binding Domains 4-6 of ATP7B", Biochemistry 49 (2010) 8468-8477. http://dx.doi.org/10.1021/bi1008535

X. Feng, A.J. Simpson, E.G. Gregorich, B. Elberling, D.W. Hopkins, A.D. Sparrow, P.M. Novis, L.G. Greenfield, M.J. Simpson, "Chemical Characterization of Microbial-Dominated Soil Organic Matter in the Garwood Valley, Antarctica," Geochimica et Cosmochimica Acta 74 (2010) 6485-6498. http://dx.doi.org/10.1016/j.gca.2010.08.019

EMR R. Muhandiram and L.E. Kay "3D HMQC-NOESY, NOESY-HMQC, and NOESY-HSQC," Chapter 25, Multidimensional NMR Methods for the Solution State (EMR Books), Eds. G.A. Morris and J.W. Emsley, Wiley (2010) pp. 335-350. http://dx.doi.org/10.1002/9780470034590.emrstm0563

B. Wu, T. Skarina, A. Yee, M.C. Jobin, R. Dileo, A. Semesi, C. Fares, A. Lemak, B.K. Coombes, C.H. Arrowsmith, A.U. Singer, A. Savchenko, "NleG Type 3 Effectors from Enterohaemorrhagic Escherichia coli Are U-Box E3 Ubiquitin Ligases", PLoS Pathogens 6 (2010) e1000960 (1-17). http://dx.doi.org/10.1371/journal.ppat.1000960

T.L. Religa, L.E. Kay, "Optimal methyl labeling for studies of supra-molecular systems", J Biomol NMR 47 (2010) 163–169. http://dx.doi.org/10.1007/s10858-010-9419-7

A.J. Baldwin, T.L. Religa, D.F. Hansen, G. Bouvignies and L.E. Kay, "13C-HD2 Methyl Group Probes of Millisecond Time Scale Exchange in Proteins by 1H Relaxation Dispersion: An Application to Proteasome Gating Residue Dynamics", J. Am. Chem. Soc. 132 (2010) 10992-10995. http://dx.doi.org/10.1021/ja104578n

G. Bouvignies, D.M. Korzhnev, P. Neudecker, D.F. Hansen, D. Flemming, M.H.J. Cordes, L.E. Kay, "A simple method for measuring signs of H-1(N) chemical shift differences between ground and excited protein states," Journal of Biomolecular NMR 47 (2010) 135-141. http://dx.doi.org/10.1007/s10858-010-9418-8

X.Y. Xu, H.W. Sun, M.J. Simpson, "Concentration- and time-dependent sorption and desorption behavior of phenanthrene to geosorbents with varying organic matter composition," Chemosphere 79 (2010) 772-778.
http://dx.doi.org/10.1016/j.chemosphere.2010.03.027

J.G. Longstaffe, M.J. Simpson, W. Maas and A.J. Simpson, "Identifying Components in Dissolved Humic Acid That Bind Organofluorine Contaminants using 1H{19F} Reverse Heteronuclear Saturation Transfer Difference NMR Spectroscopy," Environ. Sci. Technol. 44 (2010) 5476–5482. http://dx.doi.org/10.1021/es101100s

C.M. Byrne, M.H.B. Hayes, R. Kumar, E.H. Novotny, G. Lanigan, K.G. Richards, D. Fay, A.J. Simpson, "Compositional Changes in the Hydrophobic acids fraction of Drainage Water from Different Land Management Practices," Water Research 44 (2010) 4379-4390. http://dx.doi.org/10.1016/j.watres.2010.05.055

P. Walsh, P. Neudecker and S. Sharpe, "Structural Properties and Dynamic Behavior of Nonfibrillar Oligomers Formed by PrP(106-126)," J. Am. Chem. Soc. 132 (2010) 7684–7695. http://dx.doi.org/10.1021/ja100431q

D.F. Hansen, P. Neudecker and L.E. Kay, "Determination of Isoleucine Side-Chain Conformations in Ground and Excited States of Proteins from Chemical Shifts," J. Am. Chem. Soc. 132 (2010) 7589–7591. http://dx.doi.org/10.1021/ja102090z

B.G. Pautler, A.J. Simpson, D.J. McNally, S.F. Lamoureux and M.J. Simpson, "Arctic Permafrost Active Layer Detachments Stimulate Microbial Activity and Degradation of Soil Organic Matter," Environmental Science & Technology 44 (2010) 4076–4082. http://dx.doi.org/10.1021/es903685j

G. Woods, M.J. Simpson, B.P. Kelleher, M. McCaul, W.L. Kingery, and A.J. Simpson, "Online High-Performance Size Exclusion Chromatography-Nuclear Magnetic Resonance for the Characterization of Dissolved Organic Matter," Environmental Science & Technology 44 (2010) 624-630. http://dx.doi.org/10.1021/es903042s

R. Auer, D.F. Hansen, P. Neudecker, D.M. Korzhnev, D.R. Muhandiram, R. Konrat, L.E. Kay, "Measurement of signs of chemical shift differences between ground and excited protein states: a comparison between H(S/M)QC and R-1 rho methods," Journal of Biomolecular NMR 46 (2010) 205-216. http://dx.doi.org/10.1007/s10858-009-9394-z

V. Chevelkov, Y. Xue, D.K. Rao, J.D. Forman-Kay, N.R. Skrynnikov, "15N-(H/D)-SOLEXSY experiment for accurate measurement of amide solvent exchange rates: application to denatured drkN SH3," Journal of Biomolecular NMR 46 (2010) 227-244. http://dx.doi.org/10.1007/s10858-010-9398-8

A.A. Ogunjimi, S. Wiesner, D.J. Briant, X. Varelas, F. Sicheri, J. Forman-Kay, J.L. Wrana, "The Ubiquitin Binding Region of the Smurf HECT Domain Facilitates Polyubiquitylation and Binding of Ubiquitylated Substrates," Journal of Biological Chemistry 285 (2010) 6308-6315. http://dx.doi.org/10.1074/jbc.M109.044537

L.C. Cerchietti, A.F. Ghetu, X. Zhu, G.F. Da Silva, S. Zhong, M. Matthews, K.L. Bunting, J.M. Polo, C. Farès, C.H. Arrowsmith, S.N. Yang, M. Garcia, A. Coop, A.D. MacKerell, G.G. Privé, A. Melnick, "A Small-Molecule Inhibitor of BCL6 Kills DLBCL Cells In Vitro and In Vivo," Cancer Cell 17 (2010) 400-411. http://dx.doi.org/10.1016/j.ccr.2009.12.050

N. Ishiyama, S.-H. Lee, S.Liu, G.-Y. Li, M.J. Smith, L.F. Reichardt, M. Ikura, "Dynamic and Static Interactions between p120 Catenin and E-Cadherin Regulate the Stability of Cell-Cell Adhesion," Cell 141 (2010) 117-128. http://dx.doi.org/10.1016/j.cell.2010.01.017

T.L. Religa, R. Sprangers, L.E. Kay, "Dynamic Regulation of Archaeal Proteasome Gate Opening As Studied by TROSY NMR," Science 328 (2010) 98-102. http://dx.doi.org/10.1126/science.1184991

S.A.E. Brown, J.R. McKelvie, A.J. Simpson, M.J. Simpson, "1H NMR metabolomics of earthworm exposure to sub-lethal concentrations of phenanthrene in soil," Environmental Pollution 158 (2010) 2117-2123. http://dx.doi.org/10.1016/j.envpol.2010.02.023

J.R. McKelvie, D.M. Wolfe, M. Celejewski, A.J. Simpson, M.J. Simpson, "Correlations of Eisenia fetida metabolic responses to extractable phenanthrene concentrations through time," Environmental Pollution 158 (2010) 2150-2157. http://dx.doi.org/10.1016/j.envpol.2010.02.022

M.J. Smith, W.R. Hardy, G.Y. Li, M. Goudreault, S. Hersch, P. Metalnikov, A. Starostine, T. Pawson, M. Ikura, "The PTB domain of ShcA couples receptor activation to the cytoskeletal regulator IQGAP1," EMBO J. 29 (2010) 884-896. http://dx.doi.org/10.1038/emboj.2009.399

G.M. Gasmi-Seabrook, C.B. Marshall, M. Cheung, B. Kim, F. Wang, Y.J. Jang, T.W. Mak, V. Stambolic, M. Ikura, "A real-time NMR study of guanine nucleotide exchange and activation of RhoA by PDZ-RHOGEF," J. Biol. Chem. 285 (2010) 5137-5145. http://dx.doi.org/10.1074/jbc.M109.064691

M.T. Mazhab-Jafari, C.B. Marshall, M. Smith, G.M. Gasmi-Seabrook, V. Stambolic, R. Rottapel, B.G. Neel, M. Ikura, "Real-time NMR study of three small GTPases reveals that fluorescent 2'(3')-O-(N-Methylanthraniloyl)-tagged nucleotides alter hydrolysis and exchange kinetics," J. Biol. Chem. 285 (2010) 5132-5136. http://dx.doi.org/10.1074/jbc.C109.064766

A.M. Ruschak and L.E. Kay, "Methyl groups as probes of supra-molecular structure, dynamics and function," Journal of Biomolecular NMR 46 (2010) 75-87. http://dx.doi.org/10.1007/s10858-009-9376-1

J.R. McKelvie, M. Elsner, A.J. Simpson, B. Sherwood Lollarand and M.J. Simpson, "Quantitative Site-Specific 2H NMR Investigation of MTBE: Potential for Assessing Contaminant Sources and Fate," Environ. Sci. Technol. 44 (2010) 1062–1068. http://dx.doi.org/10.1021/es9030276

D.F. Hansen, P. Neudecker, P. Vallurupalli, F.A.A. Mulder and L.E. Kay, "Determination of Leu Side-Chain Conformations in Excited Protein States by NMR Relaxation Dispersion," J. Am. Chem. Soc. 132 (2010) 42–43. http://dx.doi.org/10.1021/ja909294n

X. Feng, A.J. Simpson, W.H. Schlesinger, M.J. Simpson, "Altered microbial community structure and organic matter composition under elevated CO2 and N fertilization in the duke forest," Global Change Biology 16 (2010) 2104-2116. http://dx.doi.org/10.1111/j.1365-2486.2009.02080.x

Y. Xu, A.J. Simpson, N. Eyles, M.J. Simpson, "Sources and molecular composition of cryoconite organic matter from the Athabasca Glacier, Canadian Rocky Mountains," Organic Geochemistry 41 (2010) 177-186. http://dx.doi.org/10.1016/j.orggeochem.2009.10.010

R. Soong, M.-P. Nieh, E. Nicholson, J. Katsaras and P.M. Macdonald, "Bicellar Mixtures Containing Pluronic F68: Morphology and Lateral Diffusion from Combined SANS and PFG NMR Studies," Langmuir 26 (2010) 2630-2638. http://dx.doi.org/10.1021/la902795h

N. MacKinnon, G. Guerin, B. Liu, C.C. Gradinaru, J.L. Rubinstein and P.M. Macdonald, "Triggered Instability of Liposomes Bound to Hydrophobically Modified Core-Shell PNIPAM Hydrogel Beads," Langmuir 26 (2010) 1081-1089. http://dx.doi.org/10.1021/la902423v

2009

V. Kanelis, R.P. Hudson, P.H. Thibodeau, P.J. Thomas and J.D. Forman-Kay, "NMR evidence for differential phosphorylation-dependent interactions in WT and dF508 CFTR," The EMBO Journal 29 (2009) 263-277. http://dx.doi.org/10.1038/emboj.2009.329

F. Wang, C.B. Marshall, G.Y. Li, K. Yamamoto, T.W. Mak, M. Ikura, "Synergistic interplay between promoter recognition and CBP/p300 coactivator recruitment by FOXO3a," ACS Chem. Biol. 18 (2009) 1017-1027. http://dx.doi.org/10.1021/cb900190u

J.M. Murphy, D.F. Hansen, S. Wiesner, D.R. Muhandiram, M. Borg, M.J. Smith, F. Sicheri, L.E. Kay, J.D. Forman-Kay, T. Pawson, "Structural Studies of FF Domains of the Transcription Factor CA150 Provide Insights into the Organization of FF Domain Tandem Arrays," Journal of Molecular Biology 393 (2009) 409–424. http://dx.doi.org/10.1016/j.jmb.2009.08.049

R. Das, I. André, Y. Shen, Y. Wu, A. Lemak, S. Bansal, C.H. Arrowsmith, T. Szyperski and D. Baker, "Simultaneous prediction of protein folding and docking at high resolution," Proceedings of The National Academy of Sciences of The United States of America 106 (2009) 18978-18983. http://dx.doi.org/10.1073/pnas.0904407106

A. Velyvis, H.K. Schachman and L.E. Kay, "Assignment of Ile, Leu, and Val Methyl Correlations in Supra-Molecular Systems: An Application to Aspartate Transcarbamoylase," Journal of the American Chemical Society 131 (2009) 16534–16543. http://dx.doi.org/10.1021/ja906978r

D.F. Hansen, H. Feng, Z. Zhou, Y. Bai and L.E. Kay, "Selective Characterization of Microsecond Motions in Proteins by NMR Relaxation," Journal of the American Chemical Society 131 (2009) 16257-16265. http://dx.doi.org/10.1021/ja906842s

A.K. Mittermaier, L.E. Kay, "Observing biological dynamics at atomic resolution using NMR," Trends in Biochemical Sciences 34 (2009) 601-611. (review) http://dx.doi.org/10.1016/j.tibs.2009.07.004

T.E. Burrow, R.G. Enriquez, W.F. Reynolds, "The signal/noise of an HMBC spectrum can depend dramatically upon the choice of acquisition and processing parameters," Magnetic Resonance in Chemistry 47 (2009) 1086-1094. http://dx.doi.org/10.1002/mrc.2522

I. Bezsonova , J.R. Walker, J.P. Bacik, S. Duan, S. Dhe-Paganon and C.H. Arrowsmith, "Ring1B contains a ubiquitin-like docking module for interaction with Cbx proteins," Biochemistry 48 (2009) 10542-10548. http://dx.doi.org/10.1021/bi901131u

F.J. Amador, S. Liu, N. Ishiyama, M.J. Plevin, A. Wilson, D.H. Maclennan, M. Ikura, "Crystal structure of type 1 ryanodine receptor amino-terminal beta-trefoil domain reveals a disease-associated mutation "hot spot" loop," Proceedings of The National Academy of Sciences of The United States of America 106 (2009) 11040-11044. http://dx.doi.org/10.1073/pnas.0905186106

E.J. Stollar, B. Garcia, P.A. Chong, A. Rath, H. Lin, J.D. Forman-Kay, A.R. Davidson, "Structural, Functional, and Bioinformatic Studies Demonstrate the Crucial Role of an Extended Peptide Binding Site for the SH3 Domain of Yeast Abp1p," Journal of Biological Chemistry 284 (2009) 26918-26927. http://dx.doi.org/10.1074/jbc.M109.028431

S.A.E. Brown, A.J. Simpson, M.J. Simpson, "1H NMR metabolomics of earthworm responses to sub-lethal PAH exposure," Environmental Chemistry 6 (2009) 432-440. http://dx.doi.org/10.1071/EN09054

A.J. Baldwin, L.E. Kay, "NMR spectroscopy brings invisible protein states into focus," Nature Chemical Biology 5 (2009) 808-814. http://dx.doi.org/10.1038/nchembio.238

J. Moriya, M. Sakakura, Y. Tokunaga, R.S. Prosser, I. Shimada, "An NMR method for the determination of protein binding interfaces using TEMPOL-induced chemical shift perturbations," Biochimica et Biophysica Acta (BBA) - General Subjects 1790 (2009) 1368-1376. http://dx.doi.org/10.1016/j.bbagen.2009.06.001

H. Van Ingen, D.M. Korzhnev, L.E. Kay, "An Analysis of the Effects of 1H(N)-1H(N) Dipolar Couplings on the Measurement of Amide Bond Vector Orientations in Invisible Protein States by Relaxation Dispersion NMR," J. Phys. Chem. B 113 (2009) 9968–9977. http://dx.doi.org/10.1021/jp902793y

R. Soong, D. Majonis, P.M. Macdonald, "Size of Bicelle Defects Probed via Diffusion Nuclear Magnetic Resonance of PEG," Biophysical Journal 97 (2009) 796–805. http://dx.doi.org/10.1016/j.bpj.2009.05.034

P. Vallurupalli, D.F. Hansen, P. Lundstrom, L.E. Kay, "CPMG relaxation dispersion NMR experiments measuring glycine 1H (alpha) and 13C (alpha) chemical shifts in the 'invisible' excited states of proteins," Journal of Biomolecular NMR 45 (2009) 45–55.
http://dx.doi.org/10.1007/s10858-009-9310-6

J.A. Marsh, J.D. Forman-Kay, "Structure and Disorder in an Unfolded State under Nondenaturing Conditions from Ensemble Models Consistent with a Large Number of Experimental Restraints," Journal of Molecular Biology 391 (2009) 359–374. http://dx.doi.org/10.1016/j.jmb.2009.06.001

G. Harauz, V. Ladizhansky, J.M. Boggs, "Structural Polymorphism and Multifunctionality of Myelin Basic Protein," Biochemistry 48 (2009) 8094-8104. (Current Topic) http://dx.doi.org/10.1021/bi901005f

D.F. Hansen, P. Vallurupalli and L.E. Kay, "Measurement of Methyl Group Motional Parameters of Invisible, Excited Protein States by NMR Spectroscopy," J. Am. Chem. Soc. 131 (2009) 12745–12754. http://dx.doi.org/10.1021/ja903897e

R. Auer, P. Neudecker, D.R. Muhandiram, P. Lundstrom, D.F. Hansen, R. Konrat, and L.E. Kay, "Measuring the Signs of 1H alpha Chemical Shift Differences Between Ground and Excited Protein States by Off-Resonance Spin-Lock R1-Rho NMR Spectroscopy," J. Am. Chem. Soc. 131 (2009) 10832–10833. http://dx.doi.org/10.1021/ja904315m

A.J. Baldwin, D.F. Hansen, P. Vallurupalli, and L.E. Kay, "Measurement of Methyl Axis Orientations in Invisible, Excited States of Proteins by Relaxation Dispersion NMR Spectroscopy," J. Am. Chem. Soc. 131 (2009) 11939–11948. http://dx.doi.org/10.1021/ja903896p

G.Y. Li, Y. Zhang, M. Inouye, M. Ikura, "Inhibitory mechanism of Escherichia coli RelE-RelB toxin-antitoxin module involves a helix displacement near an mRNA interferase active site," J. Biol. Chem. 284 (2009) 14628-14636. http://dx.doi.org/10.1074/jbc.M809656200

B. Lam, A.J. Simpson, "Investigating Aggregation in Suwannee River, USA, Dissolved Organic Matter Using Diffusion-Ordered Nuclear magnetic Resonance Spectroscopy," Environmental Toxicology and Chemistry 28 (2009) 931-939. http://dx.doi.org/10.1897/08-441.1

R. Soong, J.R. Brender, P.M. Macdonald, A. Ramamoorthy, "Association of Highly Compact Type II Diabetes Related Islet Amyloid Polypeptide Intermediate Species at Physiological Temperature Revealed by Diffusion NMR Spectroscopy," J. Am. Chem. Soc. 131 (2009) 7079-7085. http://dx.doi.org/10.1021/ja900285z

P. Lundstrom, H. Lin, L.E. Kay, "Measuring 13C (beta) chemical shifts of invisible excited states in proteins by relaxation dispersion NMR spectroscopy," Journal of Biomolecular NMR 44 (2009) 139-155. http://dx.doi.org/10.1007/s10858-009-9321-3

P. Walsh, J. Yau, K. Simonetti, S. Sharpe, "Morphology and Secondary Structure of Stable beta-Oligomers Formed by Amyloid Peptide PrP(106-126)," Biochemistry 48 (2009) 5779–5781. http://dx.doi.org/10.1021/bi9007319

M.J. Simpson, J.R. McKelvie, "Environmental metabolomics: new insights into earthworm ecotoxicity and contaminant bioavailability in soil," Analytical and Bioanalytical Chemistry 394 (2009) 137-149. http://dx.doi.org/10.1007/s00216-009-2612-4

D.F. Hansen, Z. Zhou, H.Q. Fen, L.M.M. Jenkins, Y.W. Bai, L.E. Kay, "Binding Kinetics of Histone Chaperone Chz1 and Variant Histone H2A.Z-H2B by Relaxation Dispersion NMR Spectroscopy," Journal of Molecular Biology 387 (2009) 1-9. http://dx.doi.org/10.1016/j.jmb.2009.01.009

G.T. Montelione, C. Arrowsmith, M.E. Girvin, M.A. Kennedy, J.L. Markley, R. Powers, J.H. Prestegard and T. Szyperski, "Unique opportunities for NMR methods in structural genomics," Journal of Structural and Functional Genomics 10 (2009) 101-106. (Perspective) http://dx.doi.org/10.1007/s10969-009-9064-0

M.S. Al-Abdul-Wahid, C. Neale, R. Poms and R.S. Prosser, "A Solution NMR Approach to the Measurement of Amphiphile Immersion Depth and Orientation in Membrane Model Systems," J. Am. Chem. Soc. 131 (2009) 6452–6459. http://dx.doi.org/10.1021/ja808964e

D.M. Korzhnev, I. Bezsonova, S. Lee, T.V. Chalikian, L.E. Kay, "Alternate Binding Modes for a Ubiquitin-SH3 Domain Interaction Studied by NMR Spectroscopy," Journal of Molecular Biology 386 (2009) 391-405. http://dx.doi.org/10.1016/j.jmb.2008.11.055

J.R. Mckelvie, J. Yuk, Y.P. Xu, A.J. Simpson, M.J. Simpson, "1H NMR and GC/MS metabolomics of earthworm responses to sub-lethal DDT and endosulfan exposure," Metabolomics 5 (2009) 84-89. http://dx.doi.org/10.1007/s11306-008-0122-6

P. Neudecker, P. Lundström, L.E. Kay, "Relaxation Dispersion NMR Spectroscopy as a Tool for Detailed Studies of Protein Folding," Biophysical Journal 96 (2009) 2045-2054. (review) http://dx.doi.org/10.1016/j.bpj.2008.12.3907

P. Walsh, K. Simonetti, S. Sharpe, "Core Structure of Amyloid Fibrils Formed by Residues 106–126 of the Human Prion Protein," Structure 17 (2009) 417-426. http://dx.doi.org/10.1016/j.str.2008.12.018

C.B. Marshall, J. Ho, C. Buerger, M.J. Plevin, Guang-Yao Li, Z. Li, M. Ikura, and V. Stambolic, "Characterization of the Intrinsic and TSC2-GAP–Regulated GTPase Activity of Rheb by Real-Time NMR," Science Signaling 2 (#55) (2009) ra3. http://dx.doi.org/10.1126/scisignal.2000029

C.M. Li, J. Chan, F. Haeseleer, K. Mikoshiba, K. Palczewski, M. Ikura, J.B. Ames, "Structural Insights into Ca2+-dependent Regulation of Inositol 1,4,5-Trisphosphate Receptors by CaBP1," Journal of Biological Chemistry 284 (2009) 2472-2481. http://dx.doi.org/10.1074/jbc.M806513200

J.A. Tang, E. Kogut, D. Norton, A.J. Lough, B.R. McGarvey, U. Fekl and R.W. Schurko, "Impact of Reduction on the Properties of Metal Bisdithiolenes: Multinuclear Solid-State NMR and Structural Studies on Pt(tfd)2 and Its Reduced Forms," J. Phys. Chem. B 113 (2009) 3298–3313. http://dx.doi.org/10.1021/jp807530d

J.L. Kitevski-LeBlanc, M.S. Al-Abdul-Wahid and R.S. Prosser, "A Mutagenesis-Free Approach to Assignment of 19F NMR Resonances in Biosynthetically Labeled Proteins," J. Am. Chem. Soc. 131 (2009) 2054–2055. http://dx.doi.org/10.1021/ja8085752

P. Lundström, D.F. Hansen, P. Vallurupalli and L.E. Kay, "Accurate Measurement of Alpha Proton Chemical Shifts of Excited Protein States by Relaxation Dispersion NMR Spectroscopy," Journal of the American Chemical Society 131 (2009) 1915–1926. http://dx.doi.org/10.1021/ja807796a

A. Velyvis, H.K. Schachman, L.E. Kay, "Application of Methyl-TROSY NMR to Test Allosteric Models Describing Effects of Nucleotide Binding to Aspartate Transcarbamoylase," Journal of Molecular Biology 387 (2009) 540-547. http://dx.doi.org/10.1016/j.jmb.2009.01.066

R. Soong, P.M. Macdonald, "Water Diffusion in Bicelles and the Mixed Bicelle Model," Langmuir 25 (2009) 380-390. http://dx.doi.org/10.1021/la801739a

2008

I. Bezsonava, M.C. Bruce, S. Wiesner, H. Lin, D. Rotin, J.D. Forman-Kay, "Interactions between the three CIN85SH3 domains and ubiquitin: Implications for CIN85 ubiquitination," Biochemistry 47 (2008) 89337-8949. http://dx.doi.org/10.1021/bi800439t

Y. Sheng, R.C. Laister, A. Lemak, B. Wu, E. Tai, S.L. Duan, J. Lukin, M. Sunnerhagen, S. Srisailam, M. Karra, S. Benchimol, C.H. Arrowsmith, "Molecular basis of Pirh2-mediated p53 ubiquitylation," Nature Structural & Molecular Biology 15 (2008) 1334-1342. http://dx.doi.org/10.1038/nsmb.1521

T. Mittag, S. Orlicky, W.Y. Choy, X.J. Tang, H. Lin, F. Sicheri, L.E. Kay, M. Tyers, J.D. Forman-Kay, "Dynamic equilibrium engagement of a polyvalent ligand with a single-site receptor," Proceedings of The National Academy of Sciences of The United States of America 105 (2008) 17772-17777. http://dx.doi.org/10.1073/pnas.0809222105

D.Y.L. Mao, D. Neculai, M. Downey, S. Orlicky, Y.Z. Haffani, D.F. Ceccarelli, J.S.L. Ho, R. K. Szilard, W. Zhang, C.S. Ho, L. Wan, C. Fares, S. Rumpel, I. Kurinov, C.H. Arrowsmith, D. Durocher, F. Sicheri, "Atomic Structure of the KEOPS Complex: An Ancient Protein Kinase-Containing Molecular Machine," Molecular Cell 32 (2008) 259-275. http://dx.doi.org/10.1016/j.molcel.2008.10.002

M.J. Plevin, I. Hayashi, M. Ikura, "Characterization of a Conserved "Threonine Clasp" in CAP-Gly Domains: Role of a Functionally Critical OH/pi Interaction in Protein Recognition," Journal of the American Chemical Society 130 (2008) 14918-14919. http://dx.doi.org/10.1021/ja805576n

P.B. Stathopulos, L. Zheng, G.Y. Li, M.J. Plevin, M. Ikura, "Structural and mechanistic insights into STIM1-mediated initiation of store-operated calcium entry," Cell 135 (2008) 110-122. http://dx.doi.org/10.1016/j.cell.2008.08.006

I. Bezsonova, J. Forman-Kay, R.S. Prosser, "Molecular Oxygen as
a Paramagnetic NMR Probe of Protein Solvent Exposure and Topology," Concepts in Magnetic Resonance Part A 32A (2008) 239-253. http://dx.doi.org/10.1002/cmr.a.20118

P. Lundstom, D.F. Hansen, L.E. Kay, "Measurement of carbonyl chemical shifts of excited protein states by relaxation dispersion NMR spectroscopy: comparison between uniformly and selectively 13C labeled samples," Journal of Biomolecular NMR 42 (2008) 35-47. http://dx.doi.org/10.1007/s10858-008-9260-4

Z. Zhou, H.Q. Feng, D.F. Hansen, H. Kato, E. Luk, D.I. Freedberg, L.E. Kay, C. Wu, Y.W. Bai, "NMR structure of chaperone Chz1 complexed with histones H2A.Z-H2B," Nature Structural & Molecular Biology 15 (2008) 868-869. http://dx.doi.org/10.1038/nsmb.1465

H. Mizuno, T.K. Mal, M. Walchli, A. Kikuchi, T. Fukano, R. Ando, J. Jeyakanthan, J. Taka, Y. Shiro, M. Ikura, A. Miyawaki, "Light-dependent regulation of structural flexibility in a photochromic fluorescent protein," Proc. Natl. Acad. Sci. USA 105 (2008) 9227-9232. http://dx.doi.org/10.1073/pnas.0709599105

R.H. Morris, "Dihydrogen, dihydride and in between: NMR and structural properties of iron group complexes," Coordination Chemistry Reviews 252 (2008) 2381-2394. http://dx.doi.org/10.1016/j.ccr.2008.01.010

F. Wang, C.B. Marshall, K. Yamamoto, G.-Y. Li, M.J. Plevin, H. You, T.W. Mak, M. Ikura, "Biochemical and structural characterization of an intramolecular interaction in FOXO3a and its binding with p53," Journal of Molecular Biology 384 (2008) 590-603. http://dx.doi.org/10.1016/j.jmb.2008.09.025

P. Vallurupalli, D.F. Hansen, and L.E. Kay, "Structures of invisible, excited protein states by relaxation dispersion NMR spectroscopy," Proc. Natl. Acad. Sci. USA 105 (2008) 11766–11771. http://dx.doi.org/10.1073/pnas.0804221105

G. Li, Y. Zhang, M. Inouye, M. Ikura, "Structural mechanism of transcriptional autorepression of the Escherichia coli RelB/RelE antitoxin/toxin module", Journal of Molecular Biology 380 (2008) 107-119. http://dx.doi.org/10.1016/j.jmb.2008.04.039

D.F. Hansen, P. Vallurupalli, L.E. Kay, "Using relaxation dispersion NMR spectroscopy to determine structures of excited, invisible protein states", Journal of Biomolecular NMR 41 (2008) 113-120. http://dx.doi.org/10.1007/s10858-008-9251-5

R. Sprangers, X. Li, X. Mao, J.L. Rubinstein, A.D. Schimmer, L.E. Kay, "TROSY-Based NMR Evidence for a Novel Class of 20S Proteasome Inhibitors," Biochemistry 47 (2008) 6727-6734. http://dx.doi.org/10.1021/bi8005913

D.F. Hansen, P. Vallurupalli, and L.E. Kay, "Quantifying Two-Bond 1HN-13CO and One-Bond 1Ha-13Ca Dipolar Couplings of Invisible Protein States by Spin-State Selective Relaxation Dispersion NMR Spectroscopy," Journal of the American Chemical Society 130 (2008) 8397-8405. http://dx.doi.org/10.1021/ja801005n

A. Shirzadi, M.J. Simpson, R. Kumar, A.J. Baer, Y. Xu, A.J. Simpson, "Molecular Interactions of Pesticides at the Soil-Water Interface," Environmental Science & Technology 42 (2008) 5514-5520. http://dx.doi.org/10.1021/es800115b

M.A.S. Hass, D.F. Hansen, H.E.M. Christensen, J.J. Led, and L.E. Kay, "Characterization of Conformational Exchange of a Histidine Side Chain: Protonation, Rotamerization, and Tautomerization of His61 in Plastocyanin from Anabaena variabilis," Journal of the American Chemical Society 130 (2008) 8460–8470. http://dx.doi.org/10.1021/ja801330h

L. Zheng, P.B. Stathopulos, G.Y. Li , M. Ikura, " Biophysical characterization of the EF-hand and SAM domain containing Ca2+ sensory region of STIM1 and STIM2", Biochemical and Biophysical Research Communications 369 (2008) 240-246. http://dx.doi.org/10.1016/j.bbrc.2007.12.129

B. Wu, J. Lukin, A. Yee, A. Lemak, A. Semesi, T.A. Tamelot, M.A. Kennedy, C.H. Arrowsmith, "Solution structure of ribosomal protein L40E, a unique C4 zinc finger protein encoded by archaeon Sulfolobus solfataricus", Protein Science 17 (2008) 589-596. http://dx.doi.org/10.1110/ps.073273008

B. Wu, A. Yee, Y.J. Huang, T.A. Ramelot, J.R. Cort, A. Semesi, J.W. Jung, W. Lee, G.T. Montelione, M.A. Kennedy, C.H. Arrowsmith, "The solution structure of ribosomal protein S17E from Methanobacterium thermoautotrophicum: A structural homolog of the FF domain", Protein Science 17 (2008) 583-588. http://dx.doi.org/10.1110/ps.073272208

A. Shirzadi, M.J. Simpson, Y. Xu, A.J. Simpson, "Application of saturation transfer double difference NMR to elucidate the mechanistic interactions of pesticides with humic acid", Environmental Science & Technology 42 (2008) 1084-1090. http://dx.doi.org/10.1021/es7024356

Y. Shen, O. Lange, F. Delaglio, P. Rossi, J. M. Aramini, Gaohua Liu, A. Eletsky, Y. Wu, K.K. Singarapu, A. Lemak, A. Ignatchenko, C.H. Arrowsmith, T. Szyperski, G.T. Montelione, D. Baker, and A. Bax, "Consistent blind protein structure generation from NMR chemical shift data," Proc. Natl. Acad. Sci. USA 105 (2008) 4685-4690 (highlighted on the cover). http://dx.doi.org/10.1073/pnas.0800256105

D.M. Korzhnev and L.E. Kay, "Probing Invisible, Low-Populated States of Protein Molecules by Relaxation Dispersion NMR Spectroscopy: An Application to Protein Folding," Accounts of Chemical Research 41 (2008) 442–451. http://dx.doi.org/10.1021/ar700189y

M.J. Simpson, A. Otto, X.J. Feng, "Comparison of solid-state 13C nuclear magnetic resonance and organic matter biomarkers for assessing soil organic matter degradation," Soil Science Society of America Journal 72 (2008) 268-276. http://dx.doi.org/10.2136/sssaj2007.0045

P. Vallurupalli, D.F. Hansen, and L.E. Kay, "Probing Structure in Invisible Protein States with Anisotropic NMR Chemical Shifts," Journal of the American Chemical Society 130 (2008) 2734-2735. http://dx.doi.org/10.1021/ja710817g

A. Lemak, C.A. Steren, C.H. Arrowsmith, M. Llinas, " Sequence specific resonance assignment via Multicanonical Monte Carlo search using an ABACUS approach", Journal of Biomolecular NMR 41 (2008) 29-41. http://dx.doi.org/10.1007/s10858-008-9238-2

G. Song, E.H. Novotny, A.J. Simpson, C.E. Clapp, M.H.B. Hayes, "Sequential exhaustive extraction of a Mollisol soil, and characterizations of humic components, including humin, by solid and solution state NMR", European Journal of Soil Science 59 (2008) 505-516. http://dx.doi.org/10.1111/j.1365-2389.2007.01006.x

A.F. Hansen, P. Vallurupalli, L.E. Kay, "An improved N-15 relaxation dispersion experiment for the measurement of millisecond time-scale dynamics in proteins", Journal of Physical Chemistry B 112 (2008) 5898-5904. http://dx.doi.org/10.1021/jp074793o

S.A.E. Brown, A.J. Simpson, M.J. Simpson, "Evaluation of sample preparation methods for nuclear magnetic resonance metabolic profiling studies with Eisenia fetida," Enviromental Toxicology and Chemistry 27 (2008) 828-836.

B. Lam, A.J. Simpson, "Direct 1H NMR spectroscopy of dissolved organic matter in natural waters," Analyst 133 (2008) 263-269. http://dx.doi.org/10.1039/b713457f

D.F. Hansen, P. Vallurupalli, P. Lundstrom, P. Neudecker, and L.E. Kay, "Probing Chemical Shifts of Invisible States of Proteins with Relaxation Dispersion NMR Spectroscopy: How Well Can We Do?," Journal of the American Chemical Society 130 (2008) 2667-2675. http://dx.doi.org/10.1021/ja078337p

A. Grishaev, V. Tugarinov, L.E. Kay, J. Trewhella, A. Bax, "Refined solution structure of the 82-kDa enzyme malate synthase G from joint NMR and synchrotron SAXS restraints," Journal of Biomolecular NMR 40 (2008) 95-106. http://dx.doi.org/10.1007/s10858-007-9211-5

R. Soong and P.M. Macdonald, "Diffusion of PEG Confined between Lamellae of Negatively Magnetically Aligned Bicelles: Pulsed Field Gradient 1H NMR Measurements" Langmuir 24 (2008) 518-527. http://dx.doi.org/10.1021/la7022264

S. Omelon, A. Baer, T. Coyle, R.M. Pilliar, R. Kandel and M. Grynpas, "Polymeric Crystallization and Condensation of Calcium Polyphosphate Glass," Materials Research Bulletin 43 (2008) 68-80. http://dx.doi.org/10.1016/j.materresbull.2007.02.015

2007

B.J. Nieman, J. Bishop, J. Dazai, N.A. Bock, J.P. Lerch, A. Feintuch, X.J. Chen, J.G. Sled, R.M. Henkelman, "MR technology for biological studies in mice," NMR in Biomedicine, 20 (2007) 291-303. http://dx.doi.org/10.1002/nbm.1142

A. Feintuch, Y. Zhu, J. Bishop, L. Davidson, J. Dazai, B.G. Bruneau, R.M. Henkelman, "4D cardiac MRI in the mouse," NMR in Biomedicine 20 (2007) 360-365. http://dx.doi.org/10.1002/nbm.1164

P.M. Macdonald; R. Soong, "The truncated driven NOE and C-13 NMR sensitivity enhancement in magnetically-aligned bicelles," Journal of Magnetic Resonance 188 (2007) 1-9. http://dx.doi.org/10.1016/j.jmr.2007.06.002

B.P. Kelleher, A.J. Simpson, R.E. Rogers, J. Dearman, W.L. Kingery, "Effects Of Natural Organic Matter From Sediments On The Growth Of Marine Gas Hydrates" Marine Chemistry 103 (2007) 237-249.
http://dx.doi.org/10.1016/j.marchem.2006.09.002

J. Peuravuori, A.J. Simpson. B. Lam, P. Zbankova, K. Pihlaja, "Structural Features Of Lignite Humic Acid In Light Of NMR And Thermal Degradation Experiments" Journal of Molecular Structure 826 (2007) 131-142. http://dx.doi.org/10.1016/j.molstruc.2006.04.048

A. Otto, M.J. Simpson, "Analysis of soil organic matter biomarkers by sequential chemical degradation and gas chromatography - mass spectrometry" Journal Of Separation Science 30 (2007) 272-282.
http://dx.doi.org/10.1002/jssc.200600243

J. Peuravuori, A.J. Simpson, B. Lam, P. Zbankova, K. Pihlaja, "Structural features of lignite humic acid in light of NMR and thermal degradation experiments," Journal of Molecular Structure 826 2007 131-142. http://dx.doi.org/10.1016/j.molstruc.2006.04.048

T. Radhakrishnan, P.S. Nair, G.A. Kolawole, N. Revaprasadu, G.E. Hawkes, M. Motevalli, E.S. Bento, P. O'Brien, "Reaction of o-phenylenediamine with diacetyl monoxime: characterisation of the product by solid-state 13C and 15N MAS NMR," Magnetic Resonance In Chemistry 45 (2007) 59-64. http://dx.doi.org/10.1002/mrc.1923

J.L. Bonin, M.J. Simpson, "Variation in phenanthrene sorption coefficients with soil organic matter fractionation: The result of structure or conformation?," Environmental Science and Technology 41 (2007) 153-159. http://dx.doi.org/10.1021/es061471+

2006

E. Kogut, J.A. Tang, A.J. Lough, C.M. Widdifield, R.W. Schurko, U. Fekl, "Neutral High-Potential Nickel Triad Bisdithiolenes: Structure and Solid-State NMR Properties of Pt[S2C2(CF3)2]2," Inorganic Chemistry 45 (2006) 8850-8852. http://dx.doi.org/10.1021/ic0614972

A.J. Simpson, M.J. Simpson, W.L. Kingery, B.A. Lefebvre, A. Moser, A.J. Williams, M. Kvasha, B.P. Kelleher, "The Application of 1H High-Resolution Magic-Angle Spinning NMR for the Study of Clay-Organic Associations in Natural and Synthetic Complexes," Langmuir 22 (2006) 4498-4503. http://dx.doi.org/10.1021/la052679w