1990 Fiscal Year Annual Research Report

数千程度の分子量を有する分子の構造解析に関する研究

Research Project

Project/Area Number	01303013
Research Institution	Shimane University
Principal Investigator	藤原隆二島根大学, 理学部, 教授 (10028847)
Co-Investigator(Kenkyū-buntansha)	安岡則武姫路工業大学, 理学部, 教授 (40029054) 大澤映二豊橋技術科学大学, 工学部, 教授 (40001763) 大橋裕二東京工業大学, 理学部, 教授 (40016118) 岩崎不二子電気通信大学, 電気通信学部, 教授 (10017329) 芦田玉一名古屋大学, 工学部, 教授 (10029936)
Keywords	中分子のX線構造解析 / X線解析法 / 結晶構造解析 / 分子力学 / 分子動力学 / 分子置換法 / ベクトルサ-チ法 / 乱れのある構造
Research Abstract	プロテア-ゼインヒビタ-AII(分子量7600)の構造の精密化を、omit map法とヘンドリクソン・コナ-トの最小二乘法とを繰返し行った(芦田)。シンクロトロン放射線を用いヒドロゲナ-ゼ(分子量8900)の鉄の異常分散を利用して活性部位を決定した(安岡)。毒素原性大腸菌が産出する毒素ペプチドエンテロトキシンを、同じ毒性を示すフラグメントペプチドと示さない置換型ペプチドとの結晶化とX線解析に成功、毒性失活の理由を構造から考察した(畑)。海洋生物スポンジが産生する抗腫よう性マクロライド(分子量1896)のX線解析を重原子法と直接法の組合せにより行った(石田)。中分子化合物の構造解析へ分子置換法パッケ-ジプログラムMERLOTの適用を検討した(竹中、甲斐)。つゆ草色素コンメリニンの構造決定において高角の積分反射強度の測定が実験上の重要課題である事を示した(伊藤)。疎水相互作用を力場項として扱う計算式を考え、分子動力学計算プログラムAMBERに導入し実験デ-タ系に適用、その有効性を検討した(板井)。コバルトにキラルなアルキル基が結合したコバルト錯体にX線照射しキラルなアルキル基がラセミ化する反応を、反応途中の段階で、迅速X線結晶解析装置を使用して三次元構造の解析をした(大橋)。核酸分子の高次構造をNMR測定より決定するために分子動力学計算XPLORによる検討を行った(藤井)。 TCNQ骨格にチオフェン環を二個縮合させた化合物のdisorder構造をSHELX76で精密化した(岩崎)。 α,β,γーシクロデキストリンとフェロセンとの包接体の結晶化と構造解析に成功した(樋口)。α,βーシクロデキストリン水和物のDSC測定より結晶水の役割を検討した(高木)。 αーアミノイソ酪酸を含むオリゴペフチドの構造解析よりらせん構造に及ぼすイソ酪酸の役割を検討した(奥山)。前年度に引続いて分子力学法による結晶計算のプログラムを作成した(大澤)。

Research Products
(29 results)

All Other

All Publications (29 results)

[Publications] T.Fujiwara: "Structure of δーCyclodextrin 13.75 H_2O" Chemistry Letters. 1990. 739-742 (1990)
[Publications] T.Fujiwara: "The Crystal and Molecular Structure of the Hostーguest Molecular Complex between βーCyclodextrin & 3,4ーXylidine" J.Inclusion Phenomena.
[Publications] A.Suzuki: "Structure of BomanーBirk Protease Inhibitors" Acta Crystallographica. 46A. C120-C121 (1990)
[Publications] Y.Shinoda: "Preliminary Crystallographic Study of Phospholipase A_2 from the Venom of Habu Snake" J.Biochem.107. 84-86 (1990)
[Publications] S.Oae: "Retention of Configuration in Ligand Coupling Reaction in σーSulphuranes" J.Chem.Soc.Perkin Trans.2. 273-276 (1990)
[Publications] F.Iwasaki: "Structure of 4,4′,6,6′ーTetrakisー(methylthio)ー2,2′ーbi thieno〔3,4ーd〕ー〔1,3〕dithiolylidene" Acta Crystallographica. C46. 2152-2154 (1990)
[Publications] F.Iwasaki: "Structures of 2,6ーBis(methylthioーmethyl)phenyl Phenyl Sulfoxide and 9,18ーEpithioー2,11ーdithia〔3.3〕metaーcycloーphaneーTrichloromethane(1/1)" Acta Crystallographica. C46. 2154-2157 (1990)
[Publications] M.Yasui: "First XーRay Structure Determination of a Bismuthio Ylide:4,4ーDimethylー2,6ーdioxoー1ーtriphenylbismuthiocyclohexanide" J.Chem.Soc.Perkin Trans.1. 3367-3368 (1990)
[Publications] Y.Ohashi: "Three Factors Controlling the Reaction Rate in Solid State Photoisomerization" Molecular Crystal and Liquid Crystal. 186. 37-44 (1990)
[Publications] Y.Mori: "Structures and the Photochemical HydrogenーAbstraction Reaction of Tetraー1,5ーpentanediones" Acta Crystallographica. B46. 665-671 (1990)
[Publications] H.Yuasa: "Stereoselectivity in the Oxidation of 5ーThioglucose Derivatives with 3ーChloroperoxybenzoic Acid" Bull.Chem.Soc.Tpn. 63. 3473-3479 (1990)
[Publications] A.Nakagawa: "SーClass Cytochromes c Have a Variety of Folding Patterns Structure of Cytochrome cー553 from Desulfovibrio vulgaris Miyazaki F." J.Biochemistry. 108. 701-703 (1990)
[Publications] K.Imai: "An Empirical Extension of the Karplus Equation" Magn.Reson.Chem.28. 668-674 (1990)
[Publications] E.Osawa: "Strain,Orbital Interaction and Conformation of Propella〔3_4〕prisman and Its Precursor Diolefin" Struct.Chem.1. 333-344 (1990)
[Publications] A.Itai: "Crysallographic Studies on RetinoidalーActive andーInactive Aromatic Anilides" J.Org.Chem.55. 259-263 (1990)
[Publications] A.Itai: "The Glysineーrich Sequence of βーSubunit of E.coli H^+ーATPase:Is important for activity?" J.Biol.Chem.265. 21279-21284 (1990)
[Publications] M.Katahira: "Determination of the Conformer of d(GGAAATTTCC)_2 in Solution by use of ^1H NMR and Restrained Molecular Dynamics" Biochemistry. 29. 7214-7222 (1990)
[Publications] GーZ.Jin: "Structure of Naringin Hexahemihydrate" Acta Crystallographica. C46. 1866-1869 (1990)
[Publications] T.Ishida: "Molecular Conformation of Swinholide A,a Potent Cytotoxic Macrolide from the Okinawa Marine Sponge <Theonella swinhoei>___ー:XーRay Crystal Structure of Its Diketone Derivative" J.Org.Chem.(1991)
[Publications] S.Takagi: "Tight Inclusionーcomplex Formation with Negative Entropy Change by 1ーHexanol Molecules into αーCyclodextrin containing Aqueous Solution" Chemistry Exp.6. 93-96 (1991)
[Publications] T.Kimura: "Thermodynamics of Liquid Mixtures Containing Methyl Methylthiomethyl Sulfoxide.VII.Excess Enthalpics of Binary Mixtures between MMTSO and Each of Toluenes.." Thermochim.163. 183-190 (1990)
[Publications] Y.Odagaki: "Xーray Structure of αーCyclodextrinーFerocene (2:1) Inclusion Compound" J.Chem.Soc.Perkin Trans.1. 1230-1231 (1990)
[Publications] M.Iyoda: "Thermal and Nickelーcatalyzed Dimerization of Hexapentaene.Sysnthesis of Two 〔4〕Radialenes with planar,Stable Cyclobutadieneーlike Geometry" Chem.Lett.2149-2152 (1990)
[Publications] N.Kanehisa: "Facile Synthesis of Group 4ー6 Transition Metal Phenoxides and XーRay Structures of TiCl_2〔Oー2,6ー(CH_3)_2C_6H_3〕_2(THF)_2 and NbCl_3〔Oー2,6ー(CH_3)_2C_6H_3〕_2(THF)" Chemistry Letters. 2167-2170 (1990)
[Publications] K.Okuyama: "The 3_<10>ーhelical Conformation of the AibーContaining Oligopeptide,Bocー(LーLeuーAib_2)_2" Bull.Chem.Soc.Jpn. 63. 3149-3155 (1990)
[Publications] H.Ozaki: "Molcecular Structure of the Toxic Domain of HeatーStable Enterotoxin produced by a Pathogenic Strain of <Escherichia coli>___ー" J.Biological Chemistry. 266. (1991)
[Publications] S.Ooba: "Studies on 5ー8 Fused Ring Compounds.V.The Conformations of EightーMembered Rings in 5ー8ー5 Fused Ring Compounds and Their cisーtrans Isomerization" Bull.Chem.Soc.Jpn. 63. 2002-2009 (1990)
[Publications] A.Takenaka: "使えるようになったFRODO 蛋白質工学基礎研究センタ-だよりNo.11" 大阪大学蛋白質研究所蛋白質工学基礎研究センタ-, 10 (1990)
[Publications] A.Itai: "「医薬品の開発」第7巻「分子設計」" 広川書店, 287 (1990)

1990 Fiscal Year Annual Research Report

数千程度の分子量を有する分子の構造解析に関する研究

Principal Investigator

藤原 隆二 島根大学, 理学部, 教授 (10028847)

Research Products

[Publications] T.Fujiwara: "Structure of δーCyclodextrin 13.75 H_2O" Chemistry Letters. 1990. 739-742 (1990)

[Publications] T.Fujiwara: "The Crystal and Molecular Structure of the Hostーguest Molecular Complex between βーCyclodextrin & 3,4ーXylidine" J.Inclusion Phenomena.

[Publications] A.Suzuki: "Structure of BomanーBirk Protease Inhibitors" Acta Crystallographica. 46A. C120-C121 (1990)

[Publications] Y.Shinoda: "Preliminary Crystallographic Study of Phospholipase A_2 from the Venom of Habu Snake" J.Biochem.107. 84-86 (1990)

[Publications] S.Oae: "Retention of Configuration in Ligand Coupling Reaction in σーSulphuranes" J.Chem.Soc.Perkin Trans.2. 273-276 (1990)

[Publications] F.Iwasaki: "Structure of 4,4′,6,6′ーTetrakisー(methylthio)ー2,2′ーbi thieno〔3,4ーd〕ー〔1,3〕dithiolylidene" Acta Crystallographica. C46. 2152-2154 (1990)

[Publications] F.Iwasaki: "Structures of 2,6ーBis(methylthioーmethyl)phenyl Phenyl Sulfoxide and 9,18ーEpithioー2,11ーdithia〔3.3〕metaーcycloーphaneーTrichloromethane(1/1)" Acta Crystallographica. C46. 2154-2157 (1990)

[Publications] M.Yasui: "First XーRay Structure Determination of a Bismuthio Ylide:4,4ーDimethylー2,6ーdioxoー1ーtriphenylbismuthiocyclohexanide" J.Chem.Soc.Perkin Trans.1. 3367-3368 (1990)

[Publications] Y.Ohashi: "Three Factors Controlling the Reaction Rate in Solid State Photoisomerization" Molecular Crystal and Liquid Crystal. 186. 37-44 (1990)

[Publications] Y.Mori: "Structures and the Photochemical HydrogenーAbstraction Reaction of Tetraー1,5ーpentanediones" Acta Crystallographica. B46. 665-671 (1990)

[Publications] H.Yuasa: "Stereoselectivity in the Oxidation of 5ーThioglucose Derivatives with 3ーChloroperoxybenzoic Acid" Bull.Chem.Soc.Tpn. 63. 3473-3479 (1990)

[Publications] A.Nakagawa: "SーClass Cytochromes c Have a Variety of Folding Patterns Structure of Cytochrome cー553 from Desulfovibrio vulgaris Miyazaki F." J.Biochemistry. 108. 701-703 (1990)

[Publications] K.Imai: "An Empirical Extension of the Karplus Equation" Magn.Reson.Chem.28. 668-674 (1990)

[Publications] E.Osawa: "Strain,Orbital Interaction and Conformation of Propella〔3_4〕prisman and Its Precursor Diolefin" Struct.Chem.1. 333-344 (1990)

[Publications] A.Itai: "Crysallographic Studies on RetinoidalーActive andーInactive Aromatic Anilides" J.Org.Chem.55. 259-263 (1990)

[Publications] A.Itai: "The Glysineーrich Sequence of βーSubunit of E.coli H^+ーATPase:Is important for activity?" J.Biol.Chem.265. 21279-21284 (1990)

[Publications] M.Katahira: "Determination of the Conformer of d(GGAAATTTCC)_2 in Solution by use of ^1H NMR and Restrained Molecular Dynamics" Biochemistry. 29. 7214-7222 (1990)

[Publications] GーZ.Jin: "Structure of Naringin Hexahemihydrate" Acta Crystallographica. C46. 1866-1869 (1990)

[Publications] T.Ishida: "Molecular Conformation of Swinholide A,a Potent Cytotoxic Macrolide from the Okinawa Marine Sponge <Theonella swinhoei>___ー:XーRay Crystal Structure of Its Diketone Derivative" J.Org.Chem.(1991)

[Publications] S.Takagi: "Tight Inclusionーcomplex Formation with Negative Entropy Change by 1ーHexanol Molecules into αーCyclodextrin containing Aqueous Solution" Chemistry Exp.6. 93-96 (1991)

[Publications] T.Kimura: "Thermodynamics of Liquid Mixtures Containing Methyl Methylthiomethyl Sulfoxide.VII.Excess Enthalpics of Binary Mixtures between MMTSO and Each of Toluenes.." Thermochim.163. 183-190 (1990)

[Publications] Y.Odagaki: "Xーray Structure of αーCyclodextrinーFerocene (2:1) Inclusion Compound" J.Chem.Soc.Perkin Trans.1. 1230-1231 (1990)

[Publications] M.Iyoda: "Thermal and Nickelーcatalyzed Dimerization of Hexapentaene.Sysnthesis of Two 〔4〕Radialenes with planar,Stable Cyclobutadieneーlike Geometry" Chem.Lett.2149-2152 (1990)

[Publications] N.Kanehisa: "Facile Synthesis of Group 4ー6 Transition Metal Phenoxides and XーRay Structures of TiCl_2〔Oー2,6ー(CH_3)_2C_6H_3〕_2(THF)_2 and NbCl_3〔Oー2,6ー(CH_3)_2C_6H_3〕_2(THF)" Chemistry Letters. 2167-2170 (1990)

[Publications] K.Okuyama: "The 3_<10>ーhelical Conformation of the AibーContaining Oligopeptide,Bocー(LーLeuーAib_2)_2" Bull.Chem.Soc.Jpn. 63. 3149-3155 (1990)

[Publications] H.Ozaki: "Molcecular Structure of the Toxic Domain of HeatーStable Enterotoxin produced by a Pathogenic Strain of <Escherichia coli>___ー" J.Biological Chemistry. 266. (1991)

[Publications] S.Ooba: "Studies on 5ー8 Fused Ring Compounds.V.The Conformations of EightーMembered Rings in 5ー8ー5 Fused Ring Compounds and Their cisーtrans Isomerization" Bull.Chem.Soc.Jpn. 63. 2002-2009 (1990)

[Publications] A.Takenaka: "使えるようになったFRODO 蛋白質工学基礎研究センタ-だよりNo.11" 大阪大学蛋白質研究所 蛋白質工学基礎研究センタ-, 10 (1990)

[Publications] A.Itai: "「医薬品の開発」第7巻「分子設計」" 広川書店, 287 (1990)

藤原隆二島根大学, 理学部, 教授 (10028847)

[Publications] A.Takenaka: "使えるようになったFRODO 蛋白質工学基礎研究センタ-だよりNo.11" 大阪大学蛋白質研究所蛋白質工学基礎研究センタ-, 10 (1990)