@article {1524, title = {Unambiguous determination of the ionization state of a glycoside hydrolase active site lysine by H-1-N-15 heteronuclear correlation spectroscopy}, journal = {Journal of the American Chemical Society}, volume = {128}, number = {48}, year = {2006}, note = {ISI Document Delivery No.: 110GSTimes Cited: 15Cited Reference Count: 15Poon, David K. Y. Schubert, Mario Au, Jason Okon, Mark Withers, Stephen G. McIntosh, Lawrence P.}, month = {Dec}, pages = {15388-15389}, type = {Article}, keywords = {AMINO-ACIDS, beta, EXCHANGE, MAGNETIC-RESONANCE, NMR, PROTEINS}, isbn = {0002-7863}, url = {://000242367000018}, author = {Poon, D. K. Y. and Schubert, M. and Au, J. and Okon, M. and Withers, S. G. and McIntosh, L. P.} } @article {435, title = {Evaluation of tetraphenyl-2,3-dihydroxychlorins as potential photosensitizers}, journal = {Journal of Porphyrins and Phthalocyanines}, volume = {6}, number = {2}, year = {2002}, note = {ISI Document Delivery No.: 595XYTimes Cited: 15Cited Reference Count: 33}, pages = {146-155}, type = {Article}, abstract = {A series of beta,beta-dihydroxychlorins derived from meso-tetraphenylporphyrins (TPPs) have been synthesized. Their in vitro cytotoxicity has been measured and compared to BPDMA (verteporfin). Under the assay conditions BPDMA had an LD50 (lethal dose to kill 50\% of cells) value of 0.007 muM (5 ng/mL). The LD50 values for the TPP derivatives varied from 1.7 x 10(-2) to 9.9 muM depending upon the substituents and their position on the phenyl groups. One example of the dihydroxychlorin prepared from unsubstituted 5,15-diphenylporphyrin was examined and this exhibited an LD50 of 2.4 x 10(-3) muM! Copyright (C) 2002 Society of Porphyrins \& Phthalocyanines.}, keywords = {AGGREGATION, BACTERIOCHLORINS, beta, beta-dihydroxychlorins, BIODISTRIBUTION, chlorins, cytotoxicity, DERIVATIVES, photodynamic, PHOTODYNAMIC THERAPY, PHOTOPHYSICAL PROPERTIES, PHOTOSENSITIZERS, porphyrins, PROTEIN-BINDING, SENSITIZERS, therapy, TUMOR PHOTOSENSITIZERS}, isbn = {1088-4246}, url = {://000178134600008}, author = {Macalpine, J. K. and Boch, R. and Dolphin, D.} } @article {4215, title = {Formation of a meso-tetraphenylsecochlorin and a homoporphyrin with a twist}, journal = {Journal of Organic Chemistry}, volume = {63}, number = {7}, year = {1998}, note = {ISI Document Delivery No.: ZH679Times Cited: 40Cited Reference Count: 41}, month = {Apr}, pages = {2094-2098}, type = {Article}, abstract = {The osmium tetroxide-mediated dihydroxylation of meso-tetraphenylporphyrin leads to the formation of the vic-diol meso-tetraphenyl-2,3-vic-diol-2,3-chlorin. The corresponding Ni(II) complex was converted by lead tetraacetate into (meso-tetraphenyl-2,3-secochlorinato-2,3-dialdehyde)nickel(II) This novel pigment undergoes an almost quantitative, intramolecular double acetal formation when treated with methanol in the presence of acid to produce a porphyrinoid in which one pyrrolic unit is formally replaced by a six-membered ring. An X-ray crystal structure determination, the first for such a homoporphyrin, reveals the severely twisted conformation of its chromophore.}, keywords = {beta, CHLOROPHIN, HYDROPORPHYRINS, OXIDATION, PORPHYRIN ANALOG, SYSTEM}, isbn = {0022-3263}, url = {://000073136500012}, author = {Bruckner, C. and Rettig, S. J. and Dolphin, D.} } @article {4405, title = {Structure of the Ets-1 pointed domain and mitogen-activated protein kinase phosphorylation site}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {95}, number = {21}, year = {1998}, note = {ISI Document Delivery No.: 129DLTimes Cited: 84Cited Reference Count: 37}, month = {Oct}, pages = {12129-12134}, type = {Article}, abstract = {The Pointed (PNT) domain and an adjacent mitogen-activated protein (MAP) kinase phosphorylation site are defined by sequence conservation among a subset of ets transcription factors and are implicated in two regulatory strategies, protein interactions and posttranslational modifications, respectively. By using NMR, we have determined the structure of a 110-residue fragment of murine Ets-1 that includes the PNT domain and MAP kinase site. The Ets-1 PNT domain forms a monomeric five-helix bundle. The architecture is distinct from that of any known DNA- or protein-binding module, including the helix-loop-helix fold proposed for the PNT domain of the ets protein TEL. The MAP kinase site is in a highly flexible region of both the unphosphorylated and phosphorylated forms of the Ets-1 fragment. Phosphorylation alters neither the structure nor monomeric state of the PNT domain. These results suggest that the Ets-1 PNT domain functions in heterotypic protein interactions and support the possibility that target recognition is coupled to structuring of the MAP kinase site.}, keywords = {beta, CHRONIC MYELOMONOCYTIC LEUKEMIA, FUSION, GENE, NMR, OLIGOMERIZATION, TEL, TRANSCRIPTION FACTORS, TRANSLOCATION, TROPONIN-C}, isbn = {0027-8424}, url = {://000076447900013}, author = {Slupsky, C. M. and Gentile, L. N. and Donaldson, L. W. and Mackereth, C. D. and Seidel, J. J. and Graves, B. J. and McIntosh, L. P.} } @article {3696, title = {The structure of the low temperature (20 K) form of zeolite ZSM-11 derived from Si-29 MAS NMR spectroscopy, lattice energy minimization and Rietveld refinement}, journal = {Zeitschrift Fur Kristallographie}, volume = {211}, number = {4}, year = {1996}, note = {ISI Document Delivery No.: UG444Times Cited: 8Cited Reference Count: 17}, pages = {221-227}, type = {Article}, abstract = {The crystal structure of the low temperature form of ZSM-11 (structure code MEL) was refined from high resolution synchrotron X-ray powder diffraction data, recorded at 20 K. Based on the results of 2D Si-29 NMR investigations a model was obtained by energy minimization the Rietveld refinement of which converged in space group (No. 82) [a = 20.019(2) Angstrom; c = 13.380(1) Angstrom] to R(I) = 0.143 and R(wp) = 0.126. Comparison of the theoretically predicted and experimentally determined structures against results from NMR experiments using the average T-T distance relationship between the structural parameters and the isotropic Si-29 chemical shifts did not show any correlation with the results of the structure refinement. However, with the values obtained from the energy-minimized structure model a good correlation between the structural parameters and the chemicals shifts of Si was obtained for one of the two possible assignments of the NMR chemical shifts to Si-sites. The fit of the energy minimized model to the experimental data set gave R(I) = 0.179 and R(wp) = 0.157. Since the NMR experiment gives direct information about the local ordering and structural state of the material this demonstrates the potential of the modeling experiment and also reveals the limits in accuracy and precision of the Rietveld structure refinement.}, keywords = {beta, COMBINATION, CONNECTIVITIES, lattice energy minimization, NATURAL-ABUNDANCE, Rietveld refinement, Si-29 NMR, SOLID-STATE NMR, X-RAY-DIFFRACTION, zeolites}, isbn = {0044-2968}, url = {://A1996UG44400001}, author = {Hochgrafe, M. and Marler, B. and Gies, H. and Fyfe, C. A. and Feng, Y. and Grondey, H. and Kokotailo, G. T.} }