Lian, L.-Y., Barsukov, I., Golovanov, A., Hawkins, D., Sze, K.-H., Badii, R., Keep, N.H., and Roberts, G. C.K. (2000) Mapping the binding site for the GTP-binding protein rac-1 on its inhibitor rhoGDI. Structure, 8, 47-55.

Roberts, G.C.K. (2000) Applications of NMR in drug discovery. Drug Discovery Today, 5, 230-240

Gutierrez, A., Döhr, O., Paine, M., Wolf, C.R., Scrutton, N.S., and Roberts, G.C.K. (2000) Trp-676 facilitates nicotinamide coenzyme exchange in the reductive half-reaction of human cytochrome P450 reductase: properties of the W676H and W676A mutant reductases. Biochemistry, 39, 15990-15999.

Bonev, B.B., Chan, W.C., Bycroft, B.W., Roberts G.C.K., and Watts, A. (2000) Interaction of the lantibiotic nisin with mixed lipid bilayers: a 31 P and 2 H NMR study. Biochemistry, 39, 11425-11433.

Golovanov, A., Chuang, T.H., Barsukov, I., Hawkins, D., Badii, R., Bokoch, G. M., Lian, L.-Y., and Roberts, G.C.K. (2000) Structure-activity relationships in flexible protein domains: regulation of Rho GTPases by RhoGDI and D4 GDI. J. Mol. Biol., 305, 121-135.

Gutierrez, A., Lian, L.-Y., Wolf, C.R., Scrutton, N.S., and Roberts, G.C.K (2000) Stopped-flow kinetic studies of flavin reduction in human cytochrome P450 reductase and its component domains. Biochemistry, 40, 1964-1975. http://pubs.acs.org/cgi-bin/article.cgi/bichaw/2001/40/i07/pdf/bi001719m.pdf

Döhr, O., Paine, M.J.I., Friedberg, T., Roberts, G.C.K., and Wolf, C.R. (2001) Engineering of a functional NADH-dependent cytochrome P450 system. Proc. Natl. Acad. Sci. USA, 98, 81-86. http://www.pnas.org/cgi/reprint/98/1/81.pdf

Golovanov, A., Hawkins, D., Barsukov, I., Badii, R., Bokoch, G. M., Lian, L.-Y., and Roberts, G.C.K. (2001) Structural consequences of site-directed mutagenesis in flexible protein domains: NMR characterisation of the L(55,56)S mutant of RhoGDI. Eur. J. Biochem., 268, 2253-2260. http://www.ejbiochem.org/cgi/reprint/268/8/2253.pdf

Paine, M.J.I., Ayivor, S., Munro, A. , Tsan, P., Lian, L.-Y., Roberts, G.C.K., and Wolf, C.R. (2001) Role of the conserved phenylalanine-181 of NADPH-cytochrome P450 oxidoreductase in FMN binding and catalytic activity. Biochemistry, 40,13439-13447. http://pubs.acs.org/cgi-bin/article.cgi/bichaw/2001/40/i45/pdf/bi011147l.pdf

Hemmingsen, L., Damblon, C.F., Antony, J., Jensen, M., Adolph, H.W., Wommer, S., Roberts, G.C.K., and Bauer, R. (2001) Dynamics of mononuclear cadmium b -lactamase revealed by the combination of NMR and PAC spectroscopy. J. Amer. Chem. Soc., 123, 10329-10335. http://pubs.acs.org/cgi-bin/article.cgi/jacsat/2001/123/i42/pdf/ja0112240.pdf

Mollard, C., Moali, C., Papamicael, C., Damblon, C., Vessilier, S., Amicosante, G., Schofield, C. J., Galleni, M., Frère, J.-M., and Roberts, G.C.K. (2001) Thiomandelic acid, a broad-spectrum inhibitor of zinc beta-lactamases: kinetic and spectroscopic studies. J. Biol. Chem., 276, 45015-45023. http://www.jbc.org/cgi/reprint/276/48/45015.pdf

Gutierrez, A. Paine, M., Wolf, C.R., Scrutton, N.S., and Roberts, G.C.K. (2002) Relaxation kinetics of cytochrome P450 reductase: Internal electron transfer is limited by conformational change and regulated by coenzyme binding. Biochemistry, 41, 4626-4637. http://pubs.acs.org/cgi-bin/article.cgi/bichaw/2002/41/i14/pdf/bi0159433.pdf

McLuckie, K.I.E., Routledge, M.N., Brown, K., Gaskell, M., Farmer, P.B., Roberts, G.C.K., and Martin, E.A. (2002) DNA adducts formed from 4-hydroxy-tamoxifen are more mutagenic than those formed by alpha-acetoxy-tamoxifen in a shuttle vector target gene replicated in human Ad293 cells. Biochemistry, 41, 8899-8906.
http://pubs.acs.org/cgi-bin/article.cgi/bichaw/2002/41/i28/pdf/bi025575i.pdf>

McLaughlin, L.A., Flanagan, J.U., Sutcliffe, M.J., Roberts, G.C.K., Wolf, C.R., and Paine, M.J.I. (2003) Residues glutamate-216 and aspartate-301 are key determinants of specificity and regiospecificity in cytochrome P450 2D6. J. Biol. Chem., 278, 4021-4027. http://www.jbc.org/cgi/reprint/278/6/4021.pdf

Hale, K.J., Frigerio, M., Manaviazar, S., Hummersone, M.G., Fillingham, I., Barsukov, I.G., Damblon, C.F., Gescher, A. and Roberts, G.C.K. (2003) Synthesis of a simplified bryostatin C-ring analog that binds to the CRD2 of human PKC-alpha, and construction of a novel BC-analog by an unusual Julia olefination process. Org. Lett., 5, 499-502. http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/ol027392u

Flanagan, J.U., McLaughlin, L.A., Paine, M.J.I., Sutcliffe, M.J., Roberts, G.C.K., and Wolf, C.R. (2003) Role of the conserved aspartate 293 of cytochrome P450 2C9 in substrate recognition and catalytic activity. Biochem. J., 370, 921-926. http://www.biochemj.org/bj/370/0921/3700921.pdf

Damblon, C.F., Jensen, M., Ababou, A., Barsukov, I., Papamicael, C., Schofield, C.J., Olsen, L., Bauer, R., and Roberts, G.C.K. (2003) The inhibitor thiomandelic acid binds to both metal ions in metallo- b -lactamase and induces positive cooperativity in metal binding. J. Biol. Chem., 278, 29240 – 29251 http://www.jbc.org/cgi/reprint/278/31/29240.pdf

Gutierrez, A., Munro, A.W., Grunau, A., Wolf, C.R., Scrutton, N.S., and Roberts, G.C.K. (2003) Interflavin electron transfer in human cytochrome P450 reductase is enhanced by coenzyme binding: relaxation kinetic studies with coenzyme analogues. Eur. J. Biochem., 270, 2612-2621. http://www.ejbiochem.org/cgi/reprint/270/12/2612

Barsukov, I.G., Prescot, A., Bate, N., Patel, B., Floyd, D.N., Bhanji, N., Bagshaw, C.R., Letinic, K., Di Paolo, G., De Camilli, P., Roberts, G.C.K., and Critchley, D.R. (2003) PIP kinase type I g and b 1-integrin cytoplasmic domain bind to the same region in the talin FERM domain. J. Biol. Chem., 278, 31202 – 31209 http://www.jbc.org/cgi/reprint/278/33/31202.pdf

Flanagan, J.U., Maréchal, J.-D., Ward, R., Kemp, C.A., Mc l aughlin, L.A., Sutcliffe, M.J., Roberts, G.C.K., Paine, M.J.I., and Wolf, C.R. (2004) Phe120 contributes to the regiospecificity of CYP2D6: mutation leads to the formation of a novel dextromethorphan metabolite. Biochem. J., 380 , 353-360 http://www.biochemj.org/bj/380/0353/3800353.pdf

Kemp, C.A., Flanagan, J.U., van Eldik, A.J., Maréchal, J.-D., Wolf, C.R., Roberts, G.C.K., Paine, M.J.I., and Sutcliffe, M.J. (2004) Validation of a model of cytochrome P450 2D6: an in silico tool for predicting metabolism and inhibition. J. Med. Chem., 47 , 5340-5346 http://pubs.acs.org/cgi-bin/article.cgi/jmcmar/2004/47/i22/pdf/jm049934e.pdf

Papagrigoriou, E., Gingras, A.R., Barsukov, I.L., Patel, B., Zeigler, W., Roberts, G.C.K., Critchley, D.R., and Emsley, J. (2004) Activation of a vinculin binding site in the talin rod involves rearrangement of a five helix bundle. EMBO Journal , 23 , 2942-2951 http://embojournal.npgjournals.com/cgi/reprint/23/15/2942

Fillingham, I., Gingras, A.R., Papagrigoriou, E., Patel, B., Emsley, J., Critchley, D.R., Roberts G.C.K., and Barsukov, I.L. (2005) A vinculin-binding domain from the talin rod unfolds to form a complex with the vinculin head. Structure , 13 , 65-74. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6VSR-4F78H8K-9-1&_cdi=6269&_user=123215&_orig=browse&_coverDate=01%2F01%2F2005&_sk=999869998&view=c&wchp=dGLzVlz-zSkzk&md5=fe78aa26f39f9ffca3cb3bea491a435d&ie=/sdarticle.pdf

McLaughlin, L.A., Paine, M.J.I., Kemp, C.A., Maréchal, J.-D., Flanagan, J.U., Ward, C.J., Sutcliffe, M.J., Roberts, G.C.K., and Wolf, C.R. (2005) Why is quinidine an inhibitor of cytochrome P450 2D6? The role of key active site residues in quinidine binding. J. Biol. Chem. , 280 , 38617 – 38624 http://www.jbc.org/cgi/reprint/280/46/38617

Gingras, A.R.. Ziegler, W.H., Frank, R., Roberts, G.C.K., Critchley, D.R., and Emsley, J. (2005) Mapping and consensus sequence identification for multiple vinculin binding sites within the talin rod . J. Biol. Chem. , 280 , 37217 – 37224 http://www.jbc.org/cgi/reprint/280/44/37217

Maréchal, J.-D., Yu, J., Brown, S., Kapelioukh, I., Rankin, E.M., Wolf, C.R., Roberts, G.C.K., Paine, M.J.I., and Sutcliffe, M.J. (2006) In silico and in vitro screening for inhibition of cytochrome P450 CYP3A4 by co-medications commonly used by patients with cancer. Drug Metabolism & Distribution , 34, 534 - 538

Gingras, A.R., Vogel, K.-P., Steinhoff, H.-J., Ziegler, W.H., Frank, R., Patel, B., Emsley, J., Critchley, D.R., Roberts, G.C.K., and Barsukov, I.L. (2006) Structural and dynamic characterisation of a vinculin binding site in the talin rod. Biochemistry , 45, 1805 - 1817 http://pubs.acs.org/cgi-bin/article.cgi/bichaw/2006/45/i06/html/bi052136l.html

Yu, J., Paine, M.J.I.., Kemp, C.A., Marechal, J.-D., Ward, C.J., Brown, S., Sutcliffe, M.J., Roberts, G.C.K., Rankin, E.M., and Wolf,C.R. (2006) In silico prediction of drug binding to cytochrome P450 2D6: identification of a new metabolite of metoclopramide. Drug Metabolism & Distribution , doi: 10.1124/dmd.106.009258

Patel, B., Gingras, A.R., Bobkov, A.A., Fujimoto, L.M., Zhang, M., Liddington, R.R., Mazzeo, D., Emsley, J., Roberts, G.C.K., Barsukov, I.L. and Critchley, D.R. (2006) The activity of the vinculin binding sites in talin is influenced by the stability of the helical bundles that make up the talin rod. J Biol Chem 281, 7458-7467.

Lienard, B.M.R., Garau, G., Horsfall, L., Karsisiotis, A.I., Damblon, C., Lassauz, P., Papamichael, C., Roberts, G.G.K., Galleni, M., Dideberg, O., Frere, J-M. and Schofield, C.J. (2008) Structural basis for the broad-sectrum inhibition of metallo-ß-lactomases by thiols. Org. Biomol. Chem. in press

Wegener, K.L., Basran, J., Bagshaw, C.R., Campbell, I.D., Roberts, G.C.K., Critchley, D.R. and Barsukov. I. (2008) Structural basis for the interaction between the cytoplasmic domain of the hyaluronate receptor layilin and the talin F3 sub-domain. J. Mol. Biol. in press

Last updated: 25 April 2006
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