Studies on Structure Analysis of the Molecules with a few Thousand Molecular Weights

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Drs Ashida, Yasuoka, Kai, and Takenaka applied the method of X-ray structure analysis for protien crystal to the molecule with a few thousand molecular weight, established a method to improve the low resolution Fourier map of electron density, showd effectiveness of multi-wavelength anomalous dispersion technique with use of synchrotron radiation, and proved usefulness of the program "MERLOT" for the molecular replacement method. Dr Fujii showed the usefulness of "MERLOT" for X-ray analysis of oligonucleotide crystal and that of "XPLOR" for the molecular dynamics at the refinement of the structure. Dr Ishida suggested that the initial structures obtained from the proton NMR data by ROESY method are useful for the starting model structure of X-ray crystal structure analysis. Dr Okuyama determined a series of the peptide structure containing alpha-aminoisobutyric acid, and discussed factors to determine the type of helix. Dr Hata applied well the protein engineering to heat-stable Enterotoxin and solved the molecular structure. Dr. Iwasaki showed "SHELXS76" was useful for refinement of the disordered structure. Dr. Ohba found usefulness of molecular mechanics calculation to the disordered struture. Dr Ohashi succeeded the crystal structure determination of any stage of the racemic reaction in the crystal. Dr Itai found automatic creation method of drug candidate structure based on receptor structure and developed a program "LEGEND". Dr Osawa wrote a program for the molecular mechanics calculation in crystal, and discussed algorism that in solution. Drs Ito and Ohba tried to solve the structure of commelinin, a pigment from a plant, and got a lot of useful knowledge. Drs Higuchi and Fujiwara determined cyclodextrin inclusion complexes, and Dr Takagi observed its heat behaviour and discussed on the inclusion phenomena. Dr Fujiwara is rewriting the conventional X-ray structure analysis for the molecule with a few thausand molecular weight and is developing now.