Publications 2000-present
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.
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 31P and 2H NMR study.
Biochemistry, 39, 11425-11433. doi: 10.1021/bi0001170
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. doi: 10.1021/bi002135n
Golovanov, A., Chuang, T.H., Barsukov, I., Hawkins, D., Badii, R., Bokoch, G. M., Lian, L.-Y., and Roberts, G.C.K. (2001) Structure-activity relationships in flexible protein domains: regulation of Rho GTPases by RhoGDI and D4 GDI.
J. Mol. Biol., 305, 121-135. doi: 10.1006/jmbi.2000.4262
Gutierrez, A., Lian, L.-Y., Wolf, C.R., Scrutton, N.S., and Roberts, G.C.K (2001) Stopped-flow kinetic studies of flavin reduction in human cytochrome P450 reductase and its component domains.
Biochemistry, 40, 1964-1975. doi: 10.1021/bi001719m
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.
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.
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. doi: 10.1021/bi011147l
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. doi: 10.1021/ja0112240
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 b-lactamases: kinetic and spectroscopic studies.
J. Biol. Chem., 276, 45015-45023. doi:10.1074/jbc.M107054200
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. doi: 10.1021/bi0159433
Roberts, G.C.K. (2002) The determination of equilibrium dissociation constants
of protein-ligand complexes by NMR.
In: BioNMR in Drug Research, ed. Mannhold, R., Kobinyo, H., Folkers, G., & Zerbe, O. Wiley-VCH, Weinheim, Germany, pp.309-319
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 a-acetoxy-tamoxifen in a shuttle vector target gene replicated in human Ad293 cells.
Biochemistry, 41, 8899-8906. doi: 10.1021/bi025575i
Paine, M.J.I., McLaughlin, L.A., Flanagan, J.U., Kemp, C.A., Sutcliffe, M.J., Roberts, G.C.K., and Wolf, C.R. (2003) Residues glutamate-216 and aspartate-301 are key determinants of specificity and regiospecificity in cytochrome P450 2D6.
J. Biol. Chem., 278, 4021-4027. doi:10.1074/jbc.M209519200
Hale, K.J., Frigerio, M., Manaviazar, S., Hummersone, M.G., Fillingham, I., Barsukov, I.L., 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-a, and construction of a novel BC-analog by an unusual Julia olefination process.
Org. Lett., 5, 499-502. 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. Doi: 10.1042/BJ20021841
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. doi:10.1074/jbc.M301562200
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.
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 Ig and b1-integrin cytoplasmic domain bind to the same region in the talin FERM domain.
J. Biol. Chem., 278, 31202 – 31209. doi:10.1074/jbc.M303850200
Flanagan, J.U., Maréchal, J.-D., Ward, R., Kemp, C.A., Mclaughlin, 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. doi: 10.1042/BJ20040062
Paine, M.J.I., Scrutton, N.S., Munro, A.W., Gutierrez, A., Roberts, G.C.K., and Wolf, C.R. (2004) Electron transfer partners of cytochrome P450.
In: Cytochrome P450. Ed. Ortiz de Montellano, P. (3rd. edition), pp 115-138. Kluwer Academic / Plenum Publishers.
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. doi: 10.1021/jm049934e
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. doi: 10.1038/sj.emboj.7600285
Faculty of Biology "Must Read" recommendation.
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. doi: 10.1016/j.str.2004.11.006
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. doi:10.1074/jbc.M505974200
Gingras, A.R.. Ziegler, W.H., Frank, R., Barsukov, I.L., 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. doi:10.1074/jbc.M508060200
Patel, B., Gingras, A.R., Bobkov, A.A., Fujimoto, L.M., Zhang, M., Liddington, R.L., Mazzeo, D., Emsley, J., Roberts, G.C.K., Barsukov, I.L., and Critchley, D.R. (2006) The activity of the vinculin binding sites in the talin rod is influenced by the stability of the helical bundles that make up the rod.
J. Biol. Chem., 281, 7458-7467. doi:10.1074/jbc.M508058200
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 Metab. Dispos., 34, 534-538. doi:10.1124/dmd.105.007625
Damblon, C.F., and Roberts, G.C.K. (2006) Structure and dynamics of inhibitor and metal binding to metallo-b-lactamases.
In: Modern Magnetic Resonance, Ed. Webb, G.A.; Part 5, ed. Craik, D. Springer Verlag. pp 1331-1337.
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. doi: 10.1021/bi052136l
Yu, J., Paine, M.J.I., Kemp, C.A., Maréchal, 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 Metab. Dispos., 34, 1386-1392. doi:10.1124/dmd.106.009852
Huang, W.-C., Westlake, A.C.G., Maréchal, J.-D., Joyce, M.G., Moody, P.C.E., and Roberts, G.C.K. (2007) Filling a hole in cytochrome P450 BM3 improves substrate
binding and catalytic efficiency.
J. Mol. Biol., 373, 633-651
Gingras, A. R., Bate, N., Goult, B. T., Hazelwood, L., Canestrelli, I., Grossmann, J. G., Liu, H.-J., Putz, N.S.M., Roberts, G.C.K., Volkmann, N., Hanein, D., Barsukov, I.L., and Critchley, D. R. (2008) The structure of the C-terminal actin binding domain of talin.
EMBO Journal, 27, 458-469. doi:10.1038/sj.emboj.7601965
Liénard, B. M. R., Garau, G., Horsfall, L., Karsisiotis, A. I., Damblon, C., Lassaux, P., Papamicael, C., Roberts, G. C. K., Galleni, M., Dideberg, O., Frère, J.-M., and Schofield, C. J. (2008) Structural basis for the broad-spectrum inhibition of metallo-b-lactamases by thiols.
Org. Biomol. Chem., 6, 2282-2294. doi: 10.1039/B802311E
Wegener, K.L., Basran, J., Bagshaw, C.R., Campbell, I.D., Roberts, G.C.K., Critchley, D.R., and Barsukov, I.L. (2008) Structural basis for the interaction between the cytoplasmic domain of the hyaluronan receptor layilin and the talin F3 sub-domain.
J. Mol. Biol., 382, 112–126. doi:10.1016/j.jmb.2008.06.087
Kapelyukh, I., Paine, M.J.I., Maréchal, J.-D., Sutcliffe, M.J., Wolf, C. R., and Roberts, G.C.K. (2008) Multiple substrate binding by cytochrome P450 3A4: estimation of the number of bound substrate molecules.
Drug Metab. Dispos., 36, 2136-2144. doi:10.1124/dmd.108.021733
Goult, B.T., Gingras, A.R., Bate, N., Roberts, G.C.K., Critchley, D.R., Barsukov, I.L. (2008) NMR assignment of the C-terminal actin-binding domain of talin.
Biomol. NMR Assignments, 2, 17-19. doi: 10.1007/s12104-007-9073-5
Gingras, A.R., Ziegler, W.H., Bobkov, A.A., Joyce, M.G., Fasci, D., Himmel, M., Rothemund, S., Ritter, A., Grossmann, J.G., Patel, B., Bate, N., Goult, B.T., Emsley, J., Barsukov, I.L., Roberts, G.C.K., Liddington, R.C., Ginsberg, M.H., and Critchley, D.R. (2009) Structural determinants of integrin binding to the talin rod.
J. Biol. Chem., 284, 8866-8876. doi:10.1074/jbc.M805937200
Goult, B.T., Bate, N., Anthis, N.J., Wegener, K.L., Gingras, A.R., Patel, B., Barsukov, I.L., Campbell, I.D., Roberts, G.C. K., and Critchley, D.R. (2009) The structure of an interdomain complex which regulates talin activity.
J. Biol. Chem, 284, 15097-15106. doi:10.1074/jbc.M900078200
Selected as JBC Paper of the Week
Jacquin, O., Balbeur, D., Damblon, C., Marchot, P., De Pauw, E., Roberts, G.C.K., Frère, J.-M., and Matagne, A. (2009) Positively cooperative binding of zinc ions to Bacillus cereus 569/H/9 β-lactamase II suggests that the binuclear enzyme is the only relevant form for catalysis.
J. Mol. Biol. 392, 1278–1291. doi:10.1016/j.jmb.2009.07.092
Goult, B. T., Bouaouina, M., Harburger, D. S., Bate, N., Patel, B., Anthis, N. J., Campbell, I. D., Calderwood, D. A., Barsukov, I. L., Roberts, G. C. K., and Critchley, D. R. (2009) The structure of the N-terminus of kindlin-1: a domain important for αIIbβ3 integrin activation.
J. Mol. Biol., 394, 944-956. doi:10.1016/j.jmb.2009.09.061
Roberts, G.C.K., and Critchley, D.R. (2009) Structural and biophysical properties of the integrin-associated cytoskeletal protein talin.
Biophys. Rev., 1, 61-69. doi: 10.1007/s12551-009-0009-4
Ellis, J., Gutierrez, A., Barsukov, I. L., Huang, W.-C., Grossmann, J. G., and Roberts, G. C. K. (2009) Domain motion in cytochrome P450 reductase: conformational equilibria revealed by NMR and small-angle X-ray scattering.
J. Biol. Chem., 284, 36628–36637 doi:10.1074/jbc.M109.054304
Selected as JBC Paper of the Week
Goult, B.T., Bouaouina, M., Bate, N., Elliott, P.R., Patel, B., Gingras, A.R., Grossmann, J.G., Roberts, G.C.K., Calderwood, D.A., Critchley, D.R., and Barsukov, I.L. (2010) Structure of a double ubiquitin-like domain in the talin head: a role in integrin activation
EMBO J., 29, 1069-80. doi:10.1038/emboj.2010.4
Goult, B.T., Gingras, A.R., Bate, N., Barsukov, I.L., Critchley, D.R., and Roberts, G.C.K. (2010) The domain structure of talin: residues 1815-1973 form a five-helix bundle containing a cryptic vinculin binding site.
FEBS Letters, 584, 2237-2241. doi:10.1016/j.febslet.2010.04.028
Gingras, A.R., Bate, N., Patel, B., Goult, B.T., Kopp, P.M., Emsley, J., Barsukov, I.L., Roberts, G.C.K. and Critchley, D.R. (2010) The central region of talin has a unique fold that binds vinculin and actin.
J. Biol. Chem., 285, 29577–29587. doi:10.1074/jbc.M109.095455
Elliott, P.R., Goult, B.T., Kopp, P.M., Bate, N., Grossmann, J. G., Roberts, G. C. K., Critchley, D. R., and Barsukov, I. L. (2010) The structure of the talin head reveals a novel extended conformation of the FERM domain.
Structure, 18, 1289–1299. doi:10.1016/j.str.2010.07.011
Farooq, Y., and Roberts, G.C.K. (2010) Kinetics of electron transfer between cytochrome P450 reductase and cytochrome P450 3A4.
Biochem. J., 432, 485-493. doi:10.1042/BJ20100744
Huang, W.-C., Cullis, P.M., Raven, E.L., and Roberts, G.C.K. (2011) Control of the stereo-selectivity of styrene epoxidation by cytochrome P450 BM3 using structure-based mutagenesis.
Metallomics, Advance article. doi: 10.1039/C0MT00082E.
Lian, L.-Y., and Roberts, G.C.K. (2011), Editors, A Handbook of Protein NMR. Wiley/Blackwell. In press.
Roberts, G.C.K. (2011) Structural and dynamic information on ligand binding. In: Lian, L.-Y., and Roberts, G.C.K., editors, A Handbook of Protein NMR. Wiley/Blackwell. In press
