• 제목/요약/키워드: Crystal and molecular structure

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네마틱 백정의 표면 액정 배향에관한 폴리이미드막의 분자 구조의 효과 (Effect of the Molecular Structure of Rubbed Polyimide Films for Surface Liquid Crystal Alignment of Nematic Liquid Crystal)

  • 서대식
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 1996년도 춘계학술대회 논문집
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    • pp.232-234
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    • 1996
  • We have investigated the effect of molecular structure of polymer of rubbed polyimide (PI) films for surface liquid crystal alignment. To obtain surface alignment effect of Polymer molecular structure, we measured the polar (out of plane-tilt) anchoring strength and surface ordering of 5CB on rubbed PI surfaces. We have found that the polar anchoring strength of 5CB is depend on the polymer molecular structure of these unidirectionally rubbed PI surfaces.

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Effusion Cell 방식에 의한 <111> 결정구조의 Au 박막의 제작 (Au Thin Film Fabrication of <111> Crystal Structure by Effusion Cell Process)

  • 표경수;김강대;김용규;송정근
    • 대한전자공학회:학술대회논문집
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    • 대한전자공학회 2004년도 하계종합학술대회 논문집(2)
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    • pp.383-386
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    • 2004
  • The one of important requisites for fabricating molecular electronic device is the single crystal direction of bottom substrate nowadays. [1,2]. We obtain the optimum SAM result when the Au crystal is <111> structure for Self-Assembled molecular. To get the <111> crystal Au, we generally repeat heating and cooling course after evaporating Au [3]. However, we can fabricate <111> crystal Av thin film except post treatment because we simultaneously evaporate and anneal using Effusion Cell. In this paper, we study on thin film growth of <111> crystal Au as bottom electrode which is essential for Self-Assembled molecular by Effusion Cell and analyze crystal structure, thickness, surface conductivity and so on as each process condition.

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Use of Molecular Replacement to Determine the Phases of Crystal Structure of Taq DNA Polymerase

  • Kim, Young-Soo;Suh, Se-Won
    • BMB Reports
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    • 제29권1호
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    • pp.38-44
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    • 1996
  • Taq DNA polymerase from Thermus aquaticus has been shown to be very useful in the polymerase chain reaction method, which is being used for amplifying DNA. Not only does Taq DNA polymerase have high commercial value commercial value for the polymerase chain reaction application, but it is also important in studying DNA replication, because it is apparently an homologue to E. coli DNA polymerase I, which has long been used for DNA replication study (Lawyer et ai., 1993). The crystal structure determination of Taq DNA polymerase was initiated. An X-ray diffraction pattern breaks down a crystal structure into discrete sine waves in a Fourier series. The original shape of a crystal object in terms of electron density may be represented as the sum of those sine waves with varying amplitudes and phases in three dimensions. The molecular replacement method was initially employed to provide phase information for the structure of Taq DNA polymerase. The rotation search using the program MERLOT resulted in a solution peak with 5.4 r.m.s. PC-refinement of the X-PLOR program verified the result and also optimized the orientation angles. Next, the translation search using the X-PLOR program resulted in a unique solution peak with 7.35 r.m.s. In addition, the translation search indicated $P3_121$ to be the true space group out of two possible ones. The phase information from the molecular replacement was useful in the MIR phasing experiment.

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Crystal structure of the pretense domain of an ATP-independent heat shock protease HtrA

  • Kim, Dong-Young;Kim, Dong-Ryoung;Ha, Sung-Chul;Neratur K.Lokanath;Hwang, Hye-Yeon;Kim, Kyeong-Kyu
    • 한국결정학회:학술대회논문집
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    • 한국결정학회 2002년도 정기총회 및 추계학술연구발표회
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    • pp.24-24
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    • 2002
  • HtrA (high temperature requirement A), a periplasmic heat shock protein, is known to have molecular chaperone function at low temperatures and proteolytic activity at elevated temperatures. To investigate the mechanism of functional switch to pretense, we have determined the crystal structure of the N-terminal protease domain (PD) of HtrA from Thermotoga maritima. HtrA PD shares the same fold with chymotrypsin-like serine professes. However, crystal structure suggests that HtrA PD is not an active pretense at current state since its active site is not formed properly and blocked by an additional helical lid. On the surface of the lid, HtrA PD has hydrophobic patches that could be potential substrate binding sites for molecular chaperone activity. Present structure suggests that the activation of the proteolytic function of HtrA PD at elevated temperatures might occur by the conformational change.

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The Crystal Structure of L-Leucine Dehydrogenase from Pseudomonas aeruginosa

  • Kim, Seheon;Koh, Seri;Kang, Wonchull;Yang, Jin Kuk
    • Molecules and Cells
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    • 제45권7호
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    • pp.495-501
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    • 2022
  • Leucine dehydrogenase (LDH, EC 1.4.1.9) catalyzes the reversible deamination of branched-chain L-amino acids to their corresponding keto acids using NAD+ as a cofactor. LDH generally adopts an octameric structure with D4 symmetry, generating a molecular mass of approximately 400 kDa. Here, the crystal structure of the LDH from Pseudomonas aeruginosa (Pa-LDH) was determined at 2.5 Å resolution. Interestingly, the crystal structure shows that the enzyme exists as a dimer with C2 symmetry in a crystal lattice. The dimeric structure was also observed in solution using multiangle light scattering coupled with size-exclusion chromatography. The enzyme assay revealed that the specific activity was maximal at 60℃ and pH 8.5. The kinetic parameters for three different amino acid and the cofactor (NAD+) were determined. The crystal structure represents that the subunit has more compact structure than homologs' structure. In addition, the crystal structure along with sequence alignments indicates a set of non-conserved arginine residues which are important in stability. Subsequent mutation analysis for those residues revealed that the enzyme activity reduced to one third of the wild type. These results provide structural and biochemical insights for its future studies on its application for industrial purposes.

효소반응에 의한 견피브로인의 전이 (Transition of Silk Fibroin by Enzymatic Reaction)

  • 김동건;최진협;소서효
    • 한국잠사곤충학회지
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    • 제39권1호
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    • pp.73-78
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    • 1997
  • 분자량 약 7000의 Fcp는 효소분해역반응을 이용하는 것에 의해 분자량 약 17000과 약 24000까지 고분자량화된 PIFcp가 얻어졌다. 또, 효소분해의 역반응에 의해 고분자량화되는 것은 일부의 Fcp이며 Silk II형결정으로부터 Silk I형결정으로 전이하는 것은 대부분의 Fcp에서 나타났다. 이 PIFcp는 X선회절과 시차열분석(DTA)의 결과로부터 어느정도 안정한 Silk I형의 결정구조를 가지는 것이 확인되었다.

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Metalaxyl, $C_{15}H_{21}NO_4$의 분자 및 결정구조 (Molecular and Crystal Structure of' Metalaxyl, $C_{15}H_{21}NO_4$)

  • Keun Il Park;Young Kie Kim;Sung Il Cho;Man Hyung Yoo
    • 한국결정학회지
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    • 제13권3_4호
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    • pp.148-151
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    • 2002
  • X-선 회절법을 이용하여 metalaxy1, C/sub15/H/sub21/NO₄의 분자 및 결정 구조를 규명하였다. 화합물의 결정학 자료 : 단사정계 공간군 P2₁/c, a=7.849(4) Å, b=13.081(5) Å, c= 15.100(3) Å, β=101.8(2)°, V=1517.6(3) Å₃, Z=4. 분자 구조는 직접법으로 풀었고 완전최소자승법으로 정밀화하여 1694(F/sub 0//sup 2/>4σ(F/sub 0//sup 2/))인 독립회절반전에 대하여 최종 신뢰도 값 R= 0.067을 얻었다. 구조 해석 결과, Cl2-Hl2A…O1의 분자 내 수소 결합을 이루고 있었다.

Crystal Structure of cis-(Malonato)[(4R,5R)-4,5-bis(Aminomethyl)-2-Isopropyl-1,3-Dioxolane]Platinum(II), A Potent Anticancer Agent

  • Cho, Sang-Woo;Yongkee Cho;Kim, Dai-Kee;Wanchul Shin
    • 한국결정학회지
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    • 제11권1호
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    • pp.22-27
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    • 2000
  • The structure of cis-(malonato)[(4R,5R)-4,5-bis(aminomethyl)-2-isopropyl-1,3-dioxolane]platinum(II) with a potent anticancer activity has been determined by the X-ray crystallographic method. Crystal data are as follows: Pt(C/sub 11/H/sub 20/N₂O/sub 6/), M/sub 4/=471.38, monoclinic, P2₁, a=7.112(1), b=33.615(3), c=7.135(1)Å, β=116.80(1)°, V=1522.6(3)Å, and Z=4. The two independent molecules with very similar structures are approximately related by pseudo two-fold screw axis symmetry, which makes the monolinic cell look like the orthorhombic cell with one molecule in the asymmetric unit and space group C222₁. The crystal packing mode is similar to that of the analogue with the dimethyl substituents instead of the isopropyl group. The Pt atom is coordinate to two O and two N atoms in a square planar structure. The six-membered chelate ring in the leaving ligand assumes a conformation intermediate between the half chair and the boat forms. The seven-membered ring in the carrier ligand assumes a twist-chair conformation and the oxolane ring assumes an envelope conformation. Crystal packing consists of the extensive hydrogen-bonding network in the two-dimensional molecular layers and weak van der Waals interactions between these layers.

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Crystal Structure of the Metallo-Endoribonuclease YbeY from Staphylococcus aureus

  • Jinwook Lee;Inseong Jo;Ae-Ran Kwon;Nam-Chul Ha
    • Journal of Microbiology and Biotechnology
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    • 제33권1호
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    • pp.28-34
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    • 2023
  • Endoribonuclease YbeY is specific to the single-stranded RNA of ribosomal RNAs and small RNAs. This enzyme is essential for the maturation and quality control of ribosomal RNA in a wide range of bacteria and for virulence in some pathogenic bacteria. In this study, we determined the crystal structure of YbeY from Staphylococcus aureus at a resolution of 1.9 Å in the presence of zinc chloride. The structure showed a zinc ion at the active site and two molecules of tricarboxylic acid citrate, which were also derived from the crystallization conditions. Our structure showed the zinc ionbound local environment at the molecular level for the first time. Molecular comparisons were performed between the carboxylic moieties of citrate and the phosphate moiety of the RNA backbone, and a model of YbeY in complex with a single strand of RNA was subsequently constructed. Our findings provide molecular insights into how the YbeY enzyme recognizes singlestranded RNA in bacteria.

BENTAZONE, $C_{10}H_{12}N_2O_3S$의 결정 및 분자구조 (The Crystal and Molecular Structure of BENTAZONE, $C_{10}H_{12}N_2O_3S$)

  • 박권일;조성일
    • 한국결정학회지
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    • 제8권2호
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    • pp.144-148
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    • 1997
  • 단결정 X-ray 회절법을 이용하여 Bentazone, C10H12N2O3S의 결정 및 부자구조를 규명하였다. 공간군은 P21/c이며 a=9.7818(9)Å, b=9.6095(9)Å, c=13.5737(9)Å, β=97.269(1)', Z=4, V=1136.1(6) Å. 직접법으로 개략적인 분자모델을 설정하고, 1396(Fo2>4σFo2)개의 독립 회절반점에 완전행력 최소자승법으로 정밀화하여 최종신뢰도값, R=0.045인 최종적인 분자모형을 구하였다. 분자내의 Thiocarbazin ring과 Isopropyl작용기는 staggered conformation을 이루고 있으며, 수소결합에 의하여 결합된 분자들은 c-축 방향으로 교차 하면서 packing 되어 있다.

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