Báo cáo khoa học: Structural and thermodynamic insights into the binding mode of five novel inhibitors of lumazine synthase from Mycobacterium tuberculosis pptx

... range. The analysis of the struc- tures demonstrated the specific features of the binding of different inhibi- tors. The comparison of the structures and binding modes of five different inhibitors ... for comparison of binding affinities of the inhibitors under study. The fitting of the binding isotherms of all five com- pounds with a bind...

Ngày tải lên: 07/03/2014, 11:20

... advantages of both EcAII and ErA. To gain further insights into EwA and to assess its suitability as a drug candidate, we have determined the crystal structure of the enzyme in the presence of Asp and ... any of the eight individual monomers, due to the lack of sufficient electron density. The Ramachandran plot showed 89.2% of the non-Gly and non-Pro resi-...

Ngày tải lên: 30/03/2014, 04:20

... atoms, whereas the side chain of Lys173 interacts with both O6 and N7 (Fig. 1C). The 2¢OH of the ribose is hydro- gen bonded to the main chain and the side chain of Asp142 (Fig. 1C). Both hydroxyl groups of ... hypoxanthine and guanine is only 0.26% and 0.09%, respectively, of the activity of HPRT, the role of the PRTFDC1 in purine metabolism remains uncl...

Ngày tải lên: 15/02/2014, 01:20

... interaction between the FMN subdomain and the FNR subdomain, although some may also influence the rate of electron import into the FMN sub- domain and the resulting formation of FMNH 2 . The extent to ... hinge domains The composition of the two hinges that connect the FMN subdomain in NOS enzymes (H1 and H2 in Fig. 5) defines the allowable movements of the...

Ngày tải lên: 18/02/2014, 11:20

... Klinman and cowork- ers to study the viscosity dependence of the rate of hydride transfer in GO [70,71]. These authors studied various glycoforms of the enzyme (varying in the extent of glycosylation) ... Stopped-flow traces of the observed FMN reduction during the reaction of the wild-type (wt) and N189A mutant of MR with NADH. The wt trace is fit to a single...

Ngày tải lên: 18/02/2014, 11:20

... orientation of the N5 of the flavin, the hydride to be transferred, and C4 of the nicotinamide. In FNR, displacement of the C-terminal Tyr appears to be required for the interaction to occur [117,118]. The ... because the semiquinone H-bond with the CO of Asn is weaker than the bond formed with the sma- ller Gly, and because of the presence in the oxid...

Ngày tải lên: 18/02/2014, 11:20

... indicate the starting and ending residues of the secondary structural elements. (C) The domain-swapped dimer of St SurE. The A and B subunits are shown in green and blue, respectively. The darker and ... change from a ‘closed’ to an ‘open’ form. The shift in the position of the loop away from the metal ion leads to the formation of two inter- protomer...

Ngày tải lên: 18/02/2014, 14:20

... bonds, one from 2¢-OH to the side chain of Asp70, and one from the backbone N of Gly63, and the phosphate group forming hydrogen bonds from O1 to Arg55, from O2 to the backbone N and the side chain of Thr138, ... E. coli. The probable binding motif for the uracil base is through hydrogen bonds from N3 to the backbone O of Phe133, and from O4 to t...

Ngày tải lên: 18/02/2014, 16:20

... the K d for the initial bind- ing of minifiber. The fluorescence emission of the TMR was assumed to be independent of the binding of the minifiber to the penton base, because it is attached at the ... investigate the possibility of coupling between the conformation of the hypervariable loop, which contains the integrin -binding site, and the fiber- bind...

Ngày tải lên: 19/02/2014, 06:20

... lymphoid cell infiltrates of the lung and fibro- sis in the liver [110]. Conclusions The novel members, PDGF-C and -D, of the PDGF subfamily of the cystine knot family of growth factors are potent ... removal of the CUB domains and thereby activation of the growth factor domains. PDGF-C and -D contain both the CUB and growth factor domains when they are s...

Ngày tải lên: 19/02/2014, 07:20