3A分辨率绿豆胰蛋白酶抑制剂Lys活力碎片—牛胰蛋白酶(MBILF-BTRY)复合物的晶体结构分析和分子模型

用分子置换法成功地解得了MBILF-BTRY的晶体结构,并得到了它的立体结构模型。绿豆胰蛋白酶抑制剂属于絲氨酸蛋白酶抑制剂中结构最复杂的Bowman-Birk型抑制剂。这一类型抑制剂的立体结构以前尚未见报道。MBILF-BTRY复合物晶体的晶胞参数为a=62.99,b=63.54,c=69.70,α=β=γ=90°,空间群为P2_12_12_1,复合物分子量约为27500daltons。用理学电机的Ru-300型转靶X光机及AFC-5型四园衍射仪收集了分辨率为3范围内的独立衍射点5142个。以蛋白质数据库所取得的牛胰蛋白酶分子的座标为     

绿豆胰蛋白酶抑制剂-猪胰蛋白酶复合物的晶体学研究

本文报道利用微量静置法培养出绿豆胰蛋白酶抑制剂-猪胰蛋白酶复合物可供X射线衍射分析的单晶体。晶体衍射分辨率2.7。晶体学参数测定结果为四方晶系,空间群1422,晶胞参数a=b=122.4(2),c=113.4(2)()。晶体密度1.20g/cm~3,溶剂含量36％,每个结晶学不对称单位含一个复合物分子。     

甲氧甲酰基三氯乙酰基亚甲基三苯基磷——Ylid-Ⅳ晶体结构研究

Ylid-IV(C₂₂H₁₈O₃PCl₃)的结晶属单斜晶系,空间群为(P2₁)/n,晶胞参数a=13.518(6)?,b=14.923(7)?,c=11.473(5)?,β=99.81(2)°z=4。用PW-1100四圆衍射仪收集衍射强度数据;用直接法(MULTAN-78)解结构;用全矩阵最小二乘方法修正结构,对2582个可观察反射(l>3σ(I))最终的R=0.074;差值Fourier综合确定 关键词：     

0.3 nm分辨率绿豆胰蛋白酶抑制剂Lys活力碎片—牛胰蛋白酶(MBILF-BTRY)复合物的晶体结构分析和分子模型

Crystal structure of MBILF-BTRY complex was successfully solved by molecular replacement method and its 3-dimensional molecular model was thereby derived. Mung bean trypsin inhibitor belongs to Bowman-Birk inhibitor group, which is by far the most complicated among the ten fundamental groups of serine protease inhibitor. Neither the 3-dimensional structure of Bowman-Birk inhibitor group nor the stereoscopic conformation of its complex with protease has ever been reported. The crystallographic data of MBILF-BTRY complex are found to be a=....     

CRYSTALLIZATION AND PRELIMINARY CRYSTALLOGRAPHIC DATA OF THE MUNG BEAN INHIBITOR

The trypsin inhibitor from mung bean has a molecular weight of 7984, consisting of two active domains and seven disulfide bonds. It belongs to the Bowman-Birk inhibitor. This inhibitor has been crystallized in two crystalline forms either by dialysis or by batch method. One is tetragonal with unit cell of symmetry P4_122(or P4_322) and dimensions a=b=49.21, c=158.07, each asymmetric unit containing three molecules. Another is orthorhombic with unit cell of symmetry P2_12_12 and dimensions a=39.65, b=57.18, c=52.02, each asymmetric unit containing two molecules.     

含烯烃配体的过渡金属卡宾配合物的研究 ⅩⅢ.π-环戊二烯基(二羰基)(芳酰基)铁配合物的新合成法及其晶体结构

不同环多烯配位的羰基铁化合物与亲核试剂芳基锂在低温下反应后再用鎓盐(Et_3OBF_4)烷基化,得到完全不同的产物.例如,环辛四烯-和1,3-环己二烯(三羰基)铁生成一系列异构化的卡宾铁配合物.在这些产物中,环烯烃配体上的一个碳原子键联到“卡宾”碳原子上形成双烯丙基二羰基铁配合物.而环庚三烯(三羰基)铁在相似的条件下则发生开环反应,生成开环的双烯丙基铁配合物.在这个相关的研究中,我们选择环较小的环烯烃配位的羰基金     

绿豆胰蛋白酶抑制剂晶体生长及晶体学参数测定

从绿豆中提取的胰蛋白酶抑制剂,分子量为7984,具有两个活性中心,7对二硫键,属于Bowman-Birk抑制剂类型。用透析法和静置法生长出四方双锥和斜方柱两种晶体。用X1线旋进照相法测定它们的晶胞参数。四方双锥晶体属四方晶系,空间群P4_122(或P4_322),a=b=49.21(?),c=158.07(?)。每个晶体学不对称单位包含三个分子。斜方柱晶体属正交晶系,空间群P2_12_12,a=39.65(?),b=57.18(?),c=52.02(?)。每个晶体学不对称单位包含两个分子。     

N-(3,4-次甲二氧桂皮酰基)-哌啶的晶体结构测定

一种临床使用的抗癫痫药物——N-(3,4-次甲二氧桂皮酰基)-哌啶的晶体结构已被测定,化学式为C₁₅H₁₇O₃N₁,属正交晶系,空间群为D₂⁴-P2₁ 2₁ 2₁,晶胞参数α=24.338(4)?,b=8.558(2)?,c=6.217(2)?,晶胞内分子数z=4,用PW-1100四圆衍射仪收集衍射强度数据,以 关键词：     

THE CRYSTALLOGRAPHIC STUDY OF THE COM PLEX OF THE LYS ACTIVE FRAGMENT OF THE MUNG BEAN TRYPSIN INHIBITOR WITH BOVINE TRYPSIN

The Lys fragment of mung bean trypsin inhibitor can combine with bovine trypsin to form a complex at an equal molar ratio. The single cxystals of the complex were obtained by using the micro-still-setting method and the X-ray diffraction extended to 1.8 resolution. Its space group is P2_12_12_1 wlth cell dimensions α=62.9(1), b=63.4(1) and c=69.7(2). There is one complex molecule in a crystallographic asymmetric unit.     

含烯烃配体的过渡金属卡宾配合物的研究 XIII: π-环戊二烯基(二羰基)(芳酰基)铁配合物的新合成法及其晶体结构

用环戊二烯(三羰基铁)与芳基锂在低温时反应, 生成的酰羰基锂盐随后在CH2Cl2中于-60℃或在水溶液中于0℃用Et3OBF4烷基化, 以中等产率获得组成为C5H5(CO)2Fe(COAr)的5个π-环戊二烯基(二羰基)(芳甲酰基)铁络合物, 新化合物用元素分析, IR, HNMR和质谱鉴定了, 并用X射线衍射研究了C5H5(CO)2Fe(p-CF3C6H4CO)的晶体结构.