x ray crystallography in the service of structure based drug design
the restless universe understanding x-ray astronomy in the age of chandra and newton oct 2002
... prevents the galaxies from speeding away from one another? The motions of the individual galaxies lead to an estimate of the total mass of the cluster The sum of the masses of the individual galaxies ... marker of an exploded star.8 The light from the explosion reached Earth in the year The the left, to indicate the size of the object The scale is usually in minutes of arc (one minute of arc ... with the X- rays used in dentists’ and doctors’ offices There, the X rays have interacted with light-sensitive grains on photographic film.10 The absorption of the X rays by the grains causes the...
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Báo cáo khoa học: X-ray crystallography and structural stability of digestive lysozyme from cow stomach doc
... Trp63 in HEWL is not This residue exists in the b-domain, and is oriented to the interface between the two domains Therefore, the interface of BSL2 is less susceptible to unfolding than that of ... by decreasing the positively charged residues The increase in acidic residues is also expected to result in an increase in the number of salt bridges The numbers of the salt bridges in BSL2 and ... Construction of an expression system of insect lysozyme lacking thermal stability: the effect of selection of signal sequence on level of expression in the Pichia pastoris expression system Protein Eng...
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Báo cáo hóa học: " Research Article Cross-Layer Resource Scheduling for Video Traffic in the Downlink of OFDMA-Based Wireless 4G Networks" docx
... to the BS in the uplink duration of the frame j + and can be utilized for scheduling purposes at the MAC layer in the downlink of the next frame, j + The frame duration, as mentioned in WINNER ... considering the effect of intercell interference and intracell interference on the sector of interest in the central cell (denoted as sector in BS 1) For this purpose, the interference from the first ... taken into account In this case, for a link of interest in sector in BS 1, the interference will comprise 18 (6 BS × sectors) intercell and intracell links The SINR obtained for chunk j of user...
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Báo cáo hóa học: "Research Article Reconfiguration Management in the Context of RTOS-Based HW/SW Embedded Systems" potx
... timing has to be found over the complete system between power consumption and computation efficiency Another pertinent point is the complexity of the decision implementation In the context of embedded ... The reconstruction task is a recursive task depending on object complexity During each iteration, execution time depends on the number of white pixels In the same way, erosion and labeling execution ... Lauwereins, “Infrastructure for design and management of relocatable tasks in a heterogeneous reconfigurable systemon-chip,” in Proceedings of the Conference on Design, Automation and Test in Europe...
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Báo cáo hóa học: " Research Article Reconfiguration Management in the Context of RTOS-Based HW/SW Embedded Systems" doc
... timing has to be found over the complete system between power consumption and computation efficiency Another pertinent point is the complexity of the decision implementation In the context of embedded ... The reconstruction task is a recursive task depending on object complexity During each iteration, execution time depends on the number of white pixels In the same way, erosion and labeling execution ... Lauwereins, “Infrastructure for design and management of relocatable tasks in a heterogeneous reconfigurable systemon-chip,” in Proceedings of the Conference on Design, Automation and Test in Europe...
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Báo cáo khoa học: The effect of replacing the axial methionine ligand with a lysine residue in cytochrome c-550 from Paracoccus versutus assessed by X-ray crystallography and unfolding ppt
... different In the wt structure the side chain slithers along the side of the protein surface, whereas in the M100K structure it points out into the solvent (Fig 4C) The position of the K99 side chain ... the coordinating K100, with the H-bonded water molecule found in the X- ray structure increasing the electron donating power of the coordinating amino group which in turn can decrease the reduction ... prominent being the absence of the 695-nm band, indicative of Met-Sdiron coordination Upon titrating increasing amounts of guanidinium hydrochloride (GdmHCl) the protein unfolds resulting in the perturbation...
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Tài liệu Báo cáo khoa học: Molecular determinants of ligand specificity in family 11 carbohydrate binding modules – an NMR, X-ray crystallography and computational chemistry approach doc
... role in guiding and packing the carbohydrate chain and therefore in the binding process The initial conformations of these residues were responsible for the negative results of the initial docking ... to the binding cannot be determined due to signal overlap Nevertheless, information concerning the relative binding contribution can be obtained by comparing the intensity of the signals in this ... (Fig 1III–V), which could indicate that the corresponding hydroxyl groups are involved in protein binding The results for the linebroadening measurements of protons H1a in the alpha and beta configurations,...
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Báo cáo khoa học: X-ray crystallography, CD and kinetic studies revealed the essence of the abnormal behaviors of the cytochrome b5 Phe35fiTyr mutant pdf
... retained by the prosthetic heme group; core comprises mainly b-sheets These two cores are well maintained in the apo-form of the protein [43] and so are especially interesting for the study of the ... phenylalanine at position 35 does not destroy the aromatic interactions and can also maintain the edge-to-face interaction, providing the stabilization effect of the heme binding In the case of the ... that the ˚ hydroxyl oxygen atom of the side chain of Tyr35 is 3.21 A away from the atom CHB of the pyrrole group of the heme, making strong van der Waals’ contacts with the heme Obviously, the introduction...
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Báo cáo Y học: Determinants of the inhibition of a Taiwan habu venom metalloproteinase by its endogenous inhibitors revealed by X-ray crystallography and synthetic inhibitor analogues pdf
... stabilize the binding of inhibitors to TM-3 are as follows (a) The Trp indole ring of the inhibitors is stacked against the imidazole ring of His143 in the S)1 pocket of the proteinase (b) The middle ... residue in the binding of inhibitors to TM-3 This is attributed to the stacking of Trp indole ring against the imidazole side chain of His143 in TM-3 and the specific hydrogen bond between the indole ... neck of hydrophobic S)1 site (Fig 4E), presumably, mimicking the binding of the P)1 Val77 in pro-TNFa to the TACE active site Interestingly, the remaining volume of the S)1 pocket following such...
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Báo cáo Y học: The role of zinc in the methylation of the coenzyme M thiol group in methanol:coenzyme M methyltransferase from Methanosarcina barkeri New insights from X-ray absorption spectroscopy doc
... ligand in all zinc-containing MtaA proteins [i.e 2.0 (N/O) plus (S)] We interpret these results as indicating the binding of the thiol sulfur of HS-CoM to the zinc atom of MtaA in a way that it ... already the visual inspection of the EXAFS data suggests that the number of sulfur atoms ligated to the zinc of MtaA increases upon formation of the MtaAcoenzyme M complex explainable by ligation of ... Ala the HS-CoM binding results in sulfur ligation to the active-site zinc XANES spectra of wild-type and mutants As shown in the following, the interpretation of the EXAFS of the mutant enzymes...
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Tài liệu Bond Market Structure in the Presence of Marked Point Processes doc
... self-financing portfolio if and only if certain integral equations of the first kind (the “hedging equations”) have solutions Furthermore, the integral operators appearing in these equations (the “hedging ... have the following characterization of the set of ϕ’s for which we can solve the hedging equation Theorem 5.3 Consider a fixed claim X and its corresponding ϕ Then we can hedge exactly against X ... following structure In Section we lay the foundations and we present a “toolbox” of propositions which explain the interrelations between the dynamics of the forward rates, the bond prices and the...
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Tài liệu Báo cáo khoa học: X-ray crystallographic and NMR studies of pantothenate synthetase provide insights into the mechanism of homotropic inhibition by pantoate docx
... pantoate binding at site II is that it takes the position of the adenine ring in the ATP-binding site, as shown in Fig The oxygen atoms of the pantoate are spatially coincident with the nitrogen ... accommodate the pantoate molecule in the ATP-binding site (Fig 8) Binding of pantoate and ATP to nPS The crystal structure of nPS has shown clearly the bound form of pantoate in the ATP-binding site The ... PS, the His34 imidazole ring moves in to interact with the oxygen of the b-phosphate group of ATP On the other hand, in nPS, the imidazole ring of His34 moves out to accommodate the incoming...
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Tài liệu Báo cáo khoa học: Crystal structure of thiamindiphosphate-dependent indolepyruvate decarboxylase from Enterobacter cloacae, an enzyme involved in the biosynthesis of the plant hormone indole-3-acetic acid doc
... responsible for binding and proper orientation of the aminopyrimidine ring, are conserved in all ThDP-dependent enzymes One of these, the hydrogen bond between the N1¢ atom of the pyrimidine ring of ThDP ... model of the a-carbanion/enamine intermediate of the substrate indole-3-pyruvate with ThDP in the active site of IPDC was built based on the three-dimensional structure of the corresponding intermediate ... to these interfaces is located in the PYR and middle domains The interface contains 10 hydrogen bonds in IPDC The dimer–dimer interface in IPDC is smaller than the corresponding interface in...
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Báo cáo khoa học: Determination of thioxylo-oligosaccharide binding to family 11 xylanases using electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry and X-ray crystallography pot
... epoxyalkyl xylosides have been obtained using X- ray crystallography [34 37] In this paper, we report the characterization of the noncovalent binding of thioxylo-oligosaccharide inhibitors to TRX ... for the thio-oligosaccharide binding were observed for TRX I and CTX (Table 1) The glycosylation in TRX II did not have any inuence on the binding as the same ratio of proteininhibitor complex ... crystal structure of CTX with S-Xyl5-Me The observed part of the inhibitor (three xylopyranose rings) is shown at the active site Carbon atoms of the inhibitor are coloured in purple, oxygen atoms in...
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Recent Large Service Acquisitions in the Department of Defense - Lessons for the Office of the Secretary of Defense pot
... Large Service Acquisitions in the Department of Defense Lessons for the Office of the Secretary of Defense FRANK CAMM IRV BLICKSTEIN JOSE VENZOR Supported by the Office of the Secretary of Defense ... time to determine how well they work in practice The case studies offer the best insight into the execution of the two oldest acquisitions, the Army BSC and R2CSR programs For the other four acquisitions, ... the number of acquisitions covered in the study to six to test the robustness of the issues identified in the December briefing In March 2002, OSD also asked RAND to draw on interim findings to...
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Báo cáo khoa học: Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics pdf
... site involving a His residue at position ‘0’ (i.e immediately preceding the natural initiator Met within the tail downstream of the thrombin cleavage site in the N-terminal extension containing the ... results for the single Mg trajectory (obtained by removing PEP and the site II metal from the PEP complex structure) are intriguingly different After exploring the neighbourhood of the starting conformation ... remains in the vicinity of the starting point There is little tendency toward the His156-out conformation (high values of EV2) and no evidence at all of coordinated loop opening (high values of...
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Báo cáo khoa học: Identification and structural characterization of a sialylated lacto-N-neotetraose structure in the lipopolysaccharide of Haemophilus influenzae pptx
... observed in the nonsialylated glycoforms [5,21] Taken together, the correlation of fully extended structures from Hep III and the proportion of two-PEtn-containing structures with the expression of the ... III, again perhaps indicating that steric interference of the two chains precludes coincident expression of both It is noteworthy that the majority of SiallNnT-containing glycoforms contain two ... excitation of H-1 H-resonance of the GlcNAc residue in the TOCSY step and of H-3/H-4 1H-resonance of the GlcNAc residue in the NOESY step (A) The assignments of the 1H-resonances of the Gal II...
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Báo cáo khoa học: Structural function of C-terminal amidation of endomorphin Conformational comparison ofl-selective endomorphin-2 with its C-terminal free acid, studied by 1 H-NMR spectroscopy, molecular calculation, and X-ray crystallography pot
... 164 x, y,z x +1,y,z x +1,y,z 1 -x, y +1 ⁄ 2,-z x, y,z x, y,z x, y,z x, y,z x- 1,y,z 1 -x, y-1 ⁄ 2,1-z x, y,z x, y +1,z x, y +1,z x, y-1,z x, y-1,z x, y,z 1 -x, y-1 ⁄ 2,1-z x, y,z 1 -x, y +1 ⁄ 2,-z x, y +1,z x, y,z x, y-1,z ... atom of the C-terminal carboxyl group, whereas the C-terminal amide NH forms a hydrogen bond with the carbonyl oxygen atom of Tyr1 in the case of d-TIPP-NH2 On the other hand, the conformation of ... by the comparison of the proton peak intensities is given in Table The N-terminal amino protons of EM2 and EM2OH, as well as the C-terminal carboxyl proton of EM2OH, were not detected in all of...
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Báo cáo khoa học: NMR and MS evidences for a random assembled O-specific chain structure in the LPS of the bacterium Xanthomonas campestris pv. Vitians A case of unsystematic biosynthetic polymerization potx
... from H3 of a-Rha to the anomeric proton of the substituting residue The residue to which the a-Rha was linked was recognized examining the inter residue nOe of its anomeric proton to H3 of the substituted ... observed The chemical shift of H5 in the b-Rha certainly depends on the nature of the two Rha residues towards the reducing end If one of these two is a Rha bearing a Fuc3NAc unit, the H5 chemical ... which is in agreement with a short distance in the MD simulations between the H5 of b-Rha and the methyl group of the Fuc3NAc that is folding towards the terminal nonreducing end of the polymer...
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Báo cáo hóa học: " Enabling direct connectivity between heterogeneous objects in the internet of things through a network-service-oriented architecture" docx
... their relevance in Page of 14 the context of the internet of things This next section describes in more detail on how IDRA can support two important internet of things use cases: (1) supporting ... are important in the context of the internet of things Memory overhead The memory overhead of the overall IDRA architecture (including queue management, the network service broker, the packet facade, ... well-defined network services In the context of the internet of things, a network -service- oriented network architecture has the following advantages Pervasiveness Separating network functionality into...
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