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  • 1
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    Design of a novel globular protein fold with atomic-level accuracy (2003)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 2003-11-25
    Description: A major challenge of computational protein design is the creation of novel proteins with arbitrarily chosen three-dimensional structures. Here, we used a general computational strategy that iterates between sequence design and structure prediction to design a 93-residue alpha/beta protein called Top7 with a novel sequence and topology. Top7 was found experimentally to be folded and extremely stable, and the x-ray crystal structure of Top7 is similar (root mean square deviation equals 1.2 angstroms) to the design model. The ability to design a new protein fold makes possible the exploration of the large regions of the protein universe not yet observed in nature.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Kuhlman, Brian -- Dantas, Gautam -- Ireton, Gregory C -- Varani, Gabriele -- Stoddard, Barry L -- Baker, David -- New York, N.Y. -- Science. 2003 Nov 21;302(5649):1364-8.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Department of Biochemistry, University of Washington, Seattle, WA 98195, USA.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/14631033" target="_blank"〉PubMed〈/a〉
    Keywords: Algorithms ; Amino Acid Sequence ; Circular Dichroism ; Computational Biology ; Computer Graphics ; Computer Simulation ; Crystallization ; Crystallography, X-Ray ; Databases, Protein ; Models, Molecular ; Molecular Sequence Data ; Monte Carlo Method ; Nuclear Magnetic Resonance, Biomolecular ; *Protein Conformation ; Protein Denaturation ; *Protein Engineering ; *Protein Folding ; Protein Structure, Secondary ; Proteins/*chemistry ; *Software ; Solubility ; Temperature ; Thermodynamics
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
    Published by American Association for the Advancement of Science (AAAS)
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  • 2
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    Prevention of organ allograft rejection by a specific Janus kinase 3 inhibitor (2003)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 2003-11-01
    Description: Because of its requirement for signaling by multiple cytokines, Janus kinase 3 (JAK3) is an excellent target for clinical immunosuppression. We report the development of a specific, orally active inhibitor of JAK3, CP-690,550, that significantly prolonged survival in a murine model of heart transplantation and in cynomolgus monkeys receiving kidney transplants. CP-690,550 treatment was not associated with hypertension, hyperlipidemia, or lymphoproliferative disease. On the basis of these preclinical results, we believe JAK3 blockade by CP-690,550 has potential for therapeutically desirable immunosuppression in human organ transplantation and in other clinical settings.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Changelian, Paul S -- Flanagan, Mark E -- Ball, Douglas J -- Kent, Craig R -- Magnuson, Kelly S -- Martin, William H -- Rizzuti, Bonnie J -- Sawyer, Perry S -- Perry, Bret D -- Brissette, William H -- McCurdy, Sandra P -- Kudlacz, Elizabeth M -- Conklyn, Maryrose J -- Elliott, Eileen A -- Koslov, Erika R -- Fisher, Michael B -- Strelevitz, Timothy J -- Yoon, Kwansik -- Whipple, David A -- Sun, Jianmin -- Munchhof, Michael J -- Doty, John L -- Casavant, Jeffrey M -- Blumenkopf, Todd A -- Hines, Michael -- Brown, Matthew F -- Lillie, Brett M -- Subramanyam, Chakrapani -- Shang-Poa, Chang -- Milici, Anthony J -- Beckius, Gretchen E -- Moyer, James D -- Su, Chunyan -- Woodworth, Thasia G -- Gaweco, Anderson S -- Beals, Chan R -- Littman, Bruce H -- Fisher, Douglas A -- Smith, James F -- Zagouras, Panayiotis -- Magna, Holly A -- Saltarelli, Mary J -- Johnson, Kimberly S -- Nelms, Linda F -- Des Etages, Shelley G -- Hayes, Lisa S -- Kawabata, Thomas T -- Finco-Kent, Deborah -- Baker, Deanna L -- Larson, Michael -- Si, Ming-Sing -- Paniagua, Ricardo -- Higgins, John -- Holm, Bari -- Reitz, Bruce -- Zhou, Yong-Jie -- Morris, Randall E -- O'Shea, John J -- Borie, Dominic C -- New York, N.Y. -- Science. 2003 Oct 31;302(5646):875-8.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Immunology Group, Department of Antibacterials and Immunology, Pfizer Global Researchand Development, Groton, CT 06340, USA. paul_s_changelian@groton.pfizer.com〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/14593182" target="_blank"〉PubMed〈/a〉
    Keywords: Animals ; Enzyme Inhibitors/administration & dosage/pharmacology/therapeutic use/toxicity ; Gene Expression Regulation/drug effects ; Graft Rejection/*prevention & control ; Graft Survival/drug effects ; *Heart Transplantation ; Humans ; Immunosuppressive Agents/administration & dosage/*pharmacology/therapeutic ; use/toxicity ; Interleukin-2/immunology ; Janus Kinase 3 ; *Kidney Transplantation ; Lymphocyte Activation/drug effects ; Lymphocyte Count ; Lymphocyte Culture Test, Mixed ; Lymphocyte Subsets/drug effects ; Macaca fascicularis ; Mice ; Mice, Inbred C57BL ; Mice, Inbred DBA ; Myocardium/metabolism ; Piperidines ; Protein-Tyrosine Kinases/*antagonists & inhibitors/metabolism ; Pyrimidines/administration & dosage/*pharmacology/therapeutic use/toxicity ; Pyrroles/administration & dosage/*pharmacology/therapeutic use/toxicity ; Transplantation, Heterotopic ; Transplantation, Homologous ; Tumor Cells, Cultured
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
    Published by American Association for the Advancement of Science (AAAS)
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  • 3
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    Comment on evidence for surface-initiated homogeneous nucleation (2003)
    Copernicus
    Details
    Publication Date: 2003-09-22
    Description: We investigate theoretical, laboratory, and atmospheric evidence for a recently proposed hypothesis: homogeneous ice nucleation initiates at the surface, not in the volume, of supercooled water drops. Using existing thermodynamic arguments, laboratory experiments, and atmospheric data, we conclude that ice embryo formation at the surface cannot be confirmed or disregarded. Ice nucleation rates measured as a function of drop size in an air ambient could help distinguish between volume and surface nucleation rates.
    Print ISSN: 1680-7316
    Electronic ISSN: 1680-7324
    Topics: Geosciences
    Published by Copernicus on behalf of European Geosciences Union.
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  • 4
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    Charging of ice-vapor interfaces: applications to thunderstorms (2003)
    Copernicus
    Details
    Publication Date: 2003-08-27
    Description: The build-up of intrinsic Bjerrum and ionic defects at ice-vapor interfaces electrically charges ice surfaces and thus gives rise to many phenomena including thermoelectricity, ferroelectric ice films, sparks from objects in blizzards, electromagnetic emissions accompanying cracking in avalanches, glaciers, and sea ice, and charge transfer during ice-ice collisions in thunderstorms. Fletcher's theory of the ice surface in equilibrium proposed that the Bjerrum defects have a higher rate of creation at the surface than in the bulk, which produces a high concentration of surface D defects that then attract a high concentration of OH- ions at the surface. Here, we add to this theory the effect of a moving interface caused by growth or sublimation. This effect can increase the amount of ionic surface charges more than 10-fold for growth rates near 1 mm s-1 and can extend the spatial separation of interior charges in qualitative agreement with many observations. In addition, ice-ice collisions should generate sufficient pressure to melt ice at the contact region and we argue that the ice particle with the initially sharper point at contact loses more mass of melt than the other particle. A simple analytic model of this process with parameters that are consistent with observations leads to predicted collisional charge exchange that semiquantitatively explains the negative charging region of thunderstorms. The model also has implications for snowflake formation, ferroelectric ice, polarization of ice in snowpacks, and chemical reactions in ice surfaces
    Print ISSN: 1680-7316
    Electronic ISSN: 1680-7324
    Topics: Geosciences
    Published by Copernicus on behalf of European Geosciences Union.
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  • 5
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    Charging of ice-vapor interfaces (2003)
    Copernicus
    Details
    Publication Date: 2003-01-06
    Description: The time resolved chemical composition of aerosol particles, formed by the oxidation of alpha-pinene has been investigated by liquid chromatography/mass spectrometry (LC-MS) using negative and positive ionisation methods (ESI(-) and APCI(+)). The experiments were performed at the EUPHORE facility in Valencia (Spain) under various experimental conditions, including dark ozone reactions, photosmog experiments with low NOx mixing ratios and reaction with OH radicals in the absence of NOx (H2O2-photolysis). Particles were sampled on PTFE filters at different stages of the reaction and extracted with methanol. The predominant products from alpha-pinene in the particulate phase are cis-pinic acid, cis-pinonic acid and hydroxy-pinonic acid isomers. Another major compound with molecular weight 172 was detected, possibly a hydroxy-carboxylic acid. These major compounds account for 50% to 80% of the identified aerosol products, depending on the time of sampling and type of experiment. In addition, more than 20 different products have been detected and structures have been tentatively assigned based on their molecular weight and responses to the different ionisation modes. The different experiments performed showed that the aerosol formation is mainly caused by the ozonolysis reaction. The highest aerosol yields were observed in the dark ozone experiments, for which also the highest ratios of mass of identified products to the formed aerosol mass were found (30% to 50%, assuming a density of 1 g cm-3).
    Electronic ISSN: 1680-7375
    Topics: Geosciences
    Published by Copernicus on behalf of European Geosciences Union.
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  • 6
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    Comment on evidence for surface-initiated homogenous nucleation (2003)
    Copernicus
    Details
    Publication Date: 2003-01-07
    Description: We investigate theoretical, laboratory, and atmospheric evidence for a recently proposed hypothesis: homogenous ice nucleation occurs at the surface, not in the volume, of supercooled water drops. Using existing thermodynamic arguments, laboratory experiments, and atmospheric data, we conclude that ice embryo formation at the surface cannot be confirmed or disregarded. Ice nucleation rates measured as a function of drop size in an air ambient could help distinguish between volume and surface nucleation rates.
    Electronic ISSN: 1680-7375
    Topics: Geosciences
    Published by Copernicus on behalf of European Geosciences Union.
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