• BMB Reports
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• 제37권1호
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• pp.28-34
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• 2004

The discovery of biochemical and cellular functions of unannotated gene products begins with a database search of proteins with structure/sequence homologues based on known genes. Very recently, a number of frontier groups in structural biology proposed a new paradigm to predict biological functions of an unknown protein on the basis of its three-dimensional structure on a genomic scale. Structural proteomics (genomics), a research area for structure-based functional discovery, aims to complete the protein-folding universe of all gene products in a cell. It would lead us to a complete understanding of a living organism from protein structure. Two major complementary experimental techniques, X-ray crystallography and NMR spectroscopy, combined with recently developed high throughput methods have played a central role in structural proteomics research; however, an integration of these methodologies together with comparative modeling and electron microscopy would speed up the goal for completing a full dictionary of protein folding space in the near future.

• 약학회지
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• 제41권3호
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• pp.321-327
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• 1997

Investigation of polymorphism has become a requirement in the pharmaceutical industry because the physical properties and bioavailabilities of crystalline drugs depend on their polymorphic form. Five polymorphic modifications and one pseudopolymorphic modification of ecphalothin sodium were prepared by recrystallization, and characterized by UV spectrophotometer, DSC, TGA and X-ray crystallography. The solubilities of all modifications were examined by the disslution test. Form 2 and 1 showed higher solubilities than any other crystal forms. The modifications were also investigated for their stability after storage of 2 months at 100%, 76%, 52% and 0% humidity.

• 대한화학회지
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• 제54권6호
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• pp.727-730
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• 2010

245 nm mercury lamp를 사용하여 2,3-dihydropyrrolo[1,2-b]benzisothiazole 5,5-dioxide를 광이성질화 반응시켜서 2,3-dihydro[1]benzothieno[3,2-b]pyrrole 4,4-dioxide를 가지고 있는 tricyclic ring system 화합물을 합성하는 방법을 개발하였다. 합성한 화합물들에 대한 구조는 IR, NMR, MS 및 single crystal X-ray crystallography를 이용하여 결정하였다.

• Archives of Pharmacal Research
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• 제27권3호
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• pp.357-360
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• 2004

Four crystal forms of ketorolac have been obtained by recrystallization in organic solvents under variable conditions. Different ketorolac polymorphs and pseudo polymorph were characterized by X-ray powder diffraction crystallography (XRD), Differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). In the dissolution studies in water at $37{\pm}0.5^{\circ}C$ four crystal forms showed different patterns. The solubility of Form I were the highest. The solubility decreased in rank order: Form I> Form II > Form III > Form IV. Form land Form III were shown to have a good physical stability at room temperature for 60 days. However, Form II is converted to Form III and Form IV is converted to Form I after 60 days storage. Therefore, these observations indicate that crystalline polymorphism for ketorolac is readily inter-convertible and the relationship may have to taken into consideration in the formulation of the drug.

• Journal of Pharmaceutical Investigation
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• 제28권2호
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• pp.81-85
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• 1998

Three polymorphic modifications and two pseudopolymorphic modifications of cefotaxime sodium were obtained by crystallization from different organic solvents. The isolated crystal forms were characterized by UV spectrophotometry, DSC, TGA and X-ray crystallography. Crystal forms of cefotaxime sodium were also compared by dissolution rate. The dissolution rate of form 1 was the highest, followed by form 2, form 4, form 6, form 5 and form 3. Among these polymorphic modifications the dissolution rate of form 3 and form 5 was much slower than that of cefotaxime sodium on the market. All forms showed no change after 2-month storage test in the silica gel desiccator. But after the storage of 2-month at 95% relative humidity condition, all forms were deliquesced by hygroscopic property except form 1 that showed the highest dissolution rate. At 52% relative humidity condition, form 1, form 2 and form 6 had no evidence of phase transformation, but form 3, form 4 and form 5 were also deliquesced.

• 대한전기학회논문지:시스템및제어부문D
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• 제55권7호
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• pp.313-318
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• 2006

An automatic sample centering system is underway at the protein crystallography beam line of the Pohang Light Source to improve the efficiency of the crystal screening process. A sample pin which contains a protein crystal is mounted on a goniometer head. Then the crystal should be moved to the center of X-ray beam by controlling the motorized goniometer to obtain diffraction data. Since the X-ray beam is located at the center of the image obtained from the CCD camera when the image of the sample pin is in focus, an auto-focusing algorithm is a very important part in the auto-sample-centering system. However the results of applying several well-known auto focusing algorithms directly to the images are not satisfactory owing to the following factors: misalignment of CCD camera, non-uniform cryo-stream in the background of the image and the supporter of the loop. The performance of an auto-focusing algorithm can be increased if the algorithm is applied to only the loop region identified. Non-uniform cryo-stream and a various illumination condition and a stain, which is shown in the image, are main obstacles to loop region identification. In this paper, a simple loop region identification algorithm, which can solve these problems, is proposed and the effective ness of the proposed scheme is shown by applying the auto-focusing algorithm to the loop region identified.

• Bulletin of the Korean Chemical Society
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• 제23권11호
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• pp.1661-1663
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• 2002

• Bulletin of the Korean Chemical Society
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• 제35권4호
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• pp.1221-1224
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• 2014

• 미생물학회지
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• 제23권1호
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• pp.25-33
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• 1985

Cellulomonas flavigena KIST 321이 생산하는 균체외 cellulose 분해효소를 gel filtration법과 ion-exchange chromatography법으로 3종의 다른 효소를 분리하여 이들을 A, B, 및 C 효소로 명명하였다. 분리된 각 효소를 결정적 기질에 처리하여 일어나는 기질의 구조변화를 적회전 분광법과 X-ray crystallography법으로 측정하여 다음 결론을 얻었다. B효소는 결정성 cellulosem이 구성단위인 glucopyranose의 불안정화로 그 결정도를 감소시키는 $C_1$형의 효소이며 A 및 C 효소는 $C_x$형의 효소로 B 효소의 반응생성물에 작용하여 glucose를 생산하였다. 이들 각 효소의 작용에서 본균의 cellulase의 작용기작을 고찰하였다.

• 한국결정학회지
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• 제13권2호
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• pp.96-100
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• 2002

(H/sub 3/NCH/sub 2/CH/sub 2/NH/sub 3/)HPO/sub 4/ (Ⅰ) 화합물을 수열법으로 최초로 합성하고 단결정 X-선 회절법으로 구조를 규명하였다. 이 화합물은 단사정계 , 공간군 P2/sub 1//c, a＝10.209(1), b＝7.891(1), c＝ 8.039(1) (equation omitted), β＝ 92.138(9)°, V＝: 647.2(2) (equation omitted), Z＝4로 결정화되었으며, 1141 개의 독립적인 회절 반점에 대한 최종 신뢰도 인자 R/sub 1/ 및 ωR/sub 2/값은 각각 0.0295 및 0.0811이었다. 화합물 (Ⅰ)은 수소결합으로 연결된 3차원의 그물 구조를 갖는다.