@article {1165,
	title = {The structural and dynamic basis of Ets-1 DNA binding autoinhibition},
	journal = {Journal of Biological Chemistry},
	volume = {280},
	number = {8},
	year = {2005},
	note = {ISI Document Delivery No.: 902DTTimes Cited: 19Cited Reference Count: 73},
	month = {Feb},
	pages = {7088-7099},
	type = {Article},
	abstract = {The transcription factor Ets-1 is regulated by the allosteric coupling of DNA binding with the unfolding of an alpha-helix (HI-1) within an autoinhibitory module. To understand the structural and dynamic basis for this autoinhibition, we have used NAIR spectroscopy to characterize Ets-1DeltaN301, a partially inhibited fragment of Ets-1. The NMR-derived Ets-1DeltaN301 structure reveals that the autoinhibitory module is formed predominantly by the hydrophobic packing of helices from the N-terminal (HI-1, HI-2) and C-terminal (114, 115) inhibitory sequences, along with H1 of the intervening DNA binding ETS domain. The intramolecular interactions made by HI-1 in Ets-1DeltaN301 are similar to the intermolecular contacts observed in the crystal structure of an Ets-1DeltaN300 dimer, confirming that the latter represents a domain-swapped species. N-15 relaxation studies demonstrate that the backbone of the N-terminal inhibitory sequence is mobile on the nanosecond-picosecond and millisecond-microsecond time scales. Furthermore, hydrogen exchange measurements reveal that amide protons in helices HI-I and HI-2 exchange with water at rates only similar to15- and similar to75-fold slower, respectively, than predicted for an unfolded polypeptide. These findings indicate that inhibitory helices are only marginally stable even in the absence of DNA. The energetic coupling of DNA binding with the facile unfolding of the labile HI-1 provides a mechanism for modulating Ets-1 DNA binding activity via protein partnerships, post-translational modifications, or mutations. Ets-1 autoinhibition illustrates how conformational equilibria within structural domains can regulate macromolecular interactions.},
	keywords = {BACKBONE DYNAMICS, CHEMICAL-EXCHANGE, DIPOLAR COUPLINGS, Ets-1, GROUP HYDROGEN-EXCHANGE, HIGH-RESOLUTION, MURINE, N-15 NMR RELAXATION, POINTED DOMAIN, SECONDARY STRUCTURE, SIDE-CHAINS},
	isbn = {0021-9258},
	url = {<Go to ISI>://000227332700099},
	author = {Lee, G. M. and Donaldson, L. W. and Pufall, M. A. and Kang, H. S. and Pot, I. and Graves, B. J. and McIntosh, L. P.}
}
@article {461,
	title = {Synthesis and conformational dynamics of ortho-xylyl-bridged-[4]cavitands},
	journal = {Tetrahedron},
	volume = {58},
	number = {4},
	year = {2002},
	note = {ISI Document Delivery No.: 515QLTimes Cited: 10Cited Reference Count: 24},
	month = {Jan},
	pages = {787-798},
	type = {Article},
	abstract = {ortho-Xylyl-[4]cavitands 2 to 6 were synthesized from bromoresorcin[4] arenes 1. Cavitands 2 to 6 show C-4nu symmetry in their H-1 NMR spectra at higher temperatures. Dynamic H-1 NMR studies of 2 to 6 indicate the C-4nu symmetry is due to fast interconversion of rectangular C-2nu isomers. This is supported by the crystal structure of 2a, which shows a C-2nu rectangular structure. The activation energy barriers for 2a and 2b were measured by quantitative 1D NOESY (EXSY) experiments. The results were analyzed by the initial rate approximation and matrix calculations. The activation energy barrier was found to depend strongly on the size of the upper rim group (Br, H, OH, CN). In addition, replacing the phenolic proton of tetrol derivatives 4a and 4b with metal ions raises the energy barrier further, likely via bridging metal cations. The two tetrabromo compounds (2a and 2b) reveal a sensitivity of the activation barrier to the feet of the cavitands. Cavitand 6 may act as a hub for radially expanded cavitands. The advantages of the 1D NOESY experiments over the more commonly used two-dimensional experiments are discussed. (C) 2002 Elsevier Science Ltd. All rights reserved.},
	keywords = {1D NOESY (EXSY), CARCEPLEXES, CAVITANDS, CHEMICAL-EXCHANGE, DEEP-CAVITY CAVITANDS, dynamic H-1 NMR, EXCHANGE, HEMICARCEPLEXES, KINETICS, MAGNETIC-RESONANCE SPECTROSCOPY, NMR},
	isbn = {0040-4020},
	url = {<Go to ISI>://000173506800019},
	author = {Naumann, C. and Patrick, B. O. and Sherman, J. C.}
}
@article {5154,
	title = {Expanding cavitand chemistry: The preparation and characterization of [n]cavitands with n >= 4},
	journal = {Chemistry-a European Journal},
	volume = {7},
	number = {8},
	year = {2001},
	note = {ISI Document Delivery No.: 426VFTimes Cited: 21Cited Reference Count: 26},
	month = {Apr},
	pages = {1637-1645},
	type = {Article},
	abstract = {{The preparation of cavitands composed of 4, 5, 6, and 7 aromatic subunits ([n]cavitands},
	keywords = {CAVITANDS, chemical exchange, CHEMICAL-EXCHANGE, CHEMISTRY, HOST GUEST COMPLEXATION, host-guest chemistry, KINETICS, NMR, supramolecular},
	isbn = {0947-6539},
	url = {<Go to ISI>://000168368500009},
	author = {Naumann, C. and Roman, E. and Peinador, C. and Ren, T. and Patrick, B. O. and Kaifer, A. E. and Sherman, J. C.}
}
