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Phase Diagram Visualization via Continuously-Fed Crystallization: Experiments and Model
Masano Sugiyama and Victor Barocas. University of Minnesota

A continuously-fed crystallization chamber is manufactured to allow phase diagram visualization. This microfluidic system allows the experimenter to screen a large range of salt and protein concentrations in one experiment. This allows the experimenter to predict the protein phase diagram in a single experiment. A continuous-feed crystallization chamber has been successfully fabricated and characterized in terms of its flow profile, and has successfully predicted the phase diagram for lysozyme.

Low Volume Liquid Handling of Organic Solvents for Compound Storage and Dissolution using mosquito
Gillian Lewis, Tristan Cope, Joby Jenkins, David Gledhill & Rob Lewis. TTP Labtech

mosquito® is a positive displacement liquid handling system capable of pipetting solutions with a high degree of accuracy (to within 5%) and precision (CVs of <10%) in the nanolitre range. Here, we demonstrate mosquito’s ability to dispense accurately low volumes of organic solvents of low surface tension and to re-dissolve compounds which have been previously dried in storage wells.

Inferring synaptotagmin function from C2 domain stability: Analysis of structurally defined mutations in synaptotagmin 1 C2A
K.L Fuson, Kristofer Knutson, Anil Bhatta, Greg Gillispie, Candace Lange, Anne Hinderliter, R. Bryan Sutton. The University of Texas Medical Branch

Synaptotagmin 1 (Syt1) triggers the release of neurotransmitter from docked synaptic vesicles through its interactions with Ca+2, phospholipid and the SNARE complex. We tested whether the disruption of this single H-bond can affect the shape of the Ca+2 binding pocket of C2A by causing loop 3 to collapse.

Lead Optimization Computational Protocol at PDB Scale to Rationally Optimize Attachments to a Given Kinase Inhibitor Scaffold
Moriaud F., Henry T., Adcock S.A., Vorotynsev A.M., Martin L., Doppelt O. . MEDIT SA

We’ve used MED-SuMo to query and mine the Protein’s Surface Chemical Functions surrounding fragments of PDB ligands, seeking similarities with the kinase of interest (Vegfr DFGout, pdb code 2oh4, ligand code GIG) and collecting a library of 1129 unique fragments positioned in the vegfr’s active site and annotated with the counts of contacts and h-bonds. With them we optimize a substructure of the GIG ligand to find others DFGout ligands.

New Developments for a Full Automation of the FIP Beamline at the ESRF
Jacquamet L., Bertoni A., Borel F., Charrault P., Israel-Gouy P., Iwema T., Kahn R., Joly J., Ohana J., Pirocchi M., Robin A., Serre L., Vernede X. and Ferrer J. L.. Institut de Biologie Structurale

FIP (French beamline for the Investigation of Proteins) at the ESRF (European Synchrotron Radiation Facility) pushed developments in automation to reach a fully automated beamline. - The energy adjustment and beam optimization are completely automated. - The screening of the different protein crystals is ensured by a robotic system.In addition, this robot offers the possibility to analyze crystals directly as they grow in drops inside crystallization plates.

Insights into the Mechanism of Partial Agonism: Crystal Structures of the Peroxisome Proliferator-activated Receptor-gamma Ligand-Binding Domain in the Complex with Two Enantiomeric Ligands
Giorgio Pochetti, Cristina Godio, Nico Mitro, Donatella Caruso, Samuele Scurati, Andrea Galmozzi, Fulvio Loiodice, Giuseppe Fracchiolla, Paolo Tortorella, Antonio Laghezza, Antonio Lavecchia, Ettore Novellino, Fernando Mazza, Maurizio Crestani. Istituto di Cristallografia, Universit degli Studi di Milano,Universit degli Studi di Bari and Universit di LAquila

The peroxisome proliferator-activated receptors (PPARs) are transcriptional regulators of glucose and lipid metabolism. They are activated by natural ligands, such as fatty acids, and are also target of synthetic antidiabetic and hypolipidemic drugs. By using cell-based reporter assays, we studied the transactivation activity of two enantiomeric ureidofibrate derivatives.

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