Prof Mike Sutcliffe (CChem FRSC) - publications

Unknown

• Sutcliffe, MJ; Scrutton, NS. Enzymology takes a quantum leap forward. In: Thompson, JMT, ed. Visions of the Future: Chemistry and Life Science. Cambridge, UK, Cambridge University Press. eScholarID:101569

2011

• Johannissen L, Scrutton N, Sutcliffe M. How Does Pressure Affect Barrier Compression and Isotope Effects in an Enzymatic Hydrogen Tunneling Reaction?. Angewandte Chemie-International Edition. 2011; 50(9): 2129-2132. eScholarID:123370 | DOI:10.1002/anie.201006668
• Niazi U, Bibby J, Sutcliffe M. In-silico characterization of the effects of phosphorylated tyrosines 86 and 106 on structure and binding of MAL: insight into hyperinflammatory response to infection by the human malaria parasites. Journal of Receptors and Signal Transduction. 2011; 31(1): 53-65. eScholarID:123369 | DOI:10.3109/10799893.2010.512014
• Stevenson B, Bibby J, Pignatelli P, Muangnoicharoen S, O'Neill P, Lian L, Muller P, Nikou D, Steven A, Hemingway J, Sutcliffe M, Paine M. Cytochrome P450 6M2 from the malaria vector Anopheles gambiae metabolizes pyrethroids: Sequential metabolism of deltamethrin revealed. Insect Biochemistry and Molecular Biology. 2011; 41(7): 492-502. eScholarID:144639 | DOI:10.1016/j.ibmb.2011.02.003

2010

• Johannissen, LO; Hay, S; Pang, J; Sutcliffe, MJ; Scrutton, NS. Integrating computational methods with experiment uncovers the role of dynamics in enzyme-catalysed H-tunnelling reactions. In: Paneth, P; Dybala-Defratyka, A, ed. Kinetics and Dynamics: from Nano- to Bio-scale Challenges and Advances in Computational Chemistry and Physics. London, Springer.2010: eScholarID:101593
• Case M, Humphreys T, Sutcliffe M. Practice what you teach. TCE. 2010; (831): 35-37. eScholarID:101865
• Hay S, Johannissen L, Sutcliffe M, Scrutton N. Barrier Compression and Its Contribution to Both Classical and Quantum Mechanical Aspects of Enzyme Catalysis. Biophysical Journal. 2010; 98(1): 121-128. eScholarID:101860 | DOI:10.1016/j.bpj.2009.09.045
• Hay S, Pudney C, Sutcliffe M, Scrutton N. Probing active site geometry using high pressure and secondary isotope effects in an enzyme-catalysed 'deep' H-tunnelling reaction. Journal of Physical Organic Chemistry. 2010; 23(7): 696-701. eScholarID:101866 | DOI:10.1002/poc.1653
• Pang J, Scrutton N, de V, Sutcliffe M. Assignment of the Vibrational Spectra of Enzyme-Bound Tryptophan Tryptophyl Quinones Using a Combined QM/MM Approach. Journal of Physical Chemistry A. 2010; 114(2): 1212-1217. eScholarID:101857 | DOI:10.1021/jp910161k
• Pang J, Scrutton N, de V, Sutcliffe M. New insights into the multi-step reaction pathway of the reductive half-reaction catalysed by aromatic amine dehydrogenase: a QM/MM study. Chemical Communications. 2010; 46(18): 3104-3106. eScholarID:101864 | DOI:10.1039/c003107k
• Pudney C, Johannissen L, Sutcliffe M, Hay S, Scrutton N. Direct Analysis of Donor Acceptor Distance and Relationship to Isotope Effects and the Force Constant for Barrier Compression in Enzymatic H-Tunneling Reactions. Journal of the American Chemical Society. 2010; 132(32): 11329-11335. eScholarID:101856 | DOI:10.1021/ja1048048
• Williamson M, Sutcliffe M. Protein-protein interactions. Biochemical Society Transactions. 2010; 38: 875-878. eScholarID:101867 | DOI:10.1042/bst0380875

2009

• Pang, J; Scrutton, NS; Sutcliffe, MJ. Computational simulations of tunnelling reactions in enzymes. In: Allemann, RK; Scrutton, NS, ed. Quantum Tunnelling in Enzyme Catalyzed Reactions. London, Royal Society of Chemistry.2009: eScholarID:101595
• Hay, S; Sutcliffe, MJ; Scrutton, NS. Probing coupled motions in enzymatic hydrogen tunnelling reactions: beyond temperature-dependence studies of kinetic isotope effects. In: Allemann, RK; Scrutton, NS, ed. Quantum tunnelling in enzyme-catalysed reactions. London, Royal Society of Chemistry.2009: eScholarID:101594
• Ashmole I, Vavoulis D, Stansfeld P, Mehta P, Feng J, Sutcliffe M, Stanfield P. The response of the tandem pore potassium channel TASK-3 (K(2P)9.1) to voltage: gating at the cytoplasmic mouth. Journal of Physiology-London. 2009; 587(20): 4769-4783. eScholarID:101868 | DOI:10.1113/jphysiol.2009.175430
• Hay S, Pudney C, McGrory T, Pang J, Sutcliffe M, Scrutton N. Barrier Compression Enhances an Enzymatic Hydrogen-Transfer Reaction. Angewandte Chemie-International Edition. 2009; 48(8): 1452-1454. eScholarID:101858 | DOI:10.1002/anie.200805502
• Porro C, Sutcliffe M, de V. Quantum Mechanics/Molecular Mechanics Studies on the Sulfoxidation of Dimethyl Sulfide by Compound I and Compound 0 of Cytochrome P450: Which Is the Better Oxidant?. Journal of Physical Chemistry A. 2009; 113(43): 11635-11642. eScholarID:101869 | DOI:10.1021/jp9023926
• Pudney C, Hay S, Levy C, Pang J, Sutcliffe M, Leys D, Scrutton N. Evidence To Support the Hypothesis That Promoting Vibrations Enhance the Rate of an Enzyme Catalyzed H-Tunneling Reaction. Journal of the American Chemical Society. 2009; 131(47): 17072-17073. eScholarID:101859 | DOI:10.1021/ja908469m
• Pudney C, McGrory T, Lafite P, Pang J, Hay S, Leys D, Sutcliffe M, Scrutton N. Parallel Pathways and Free-Energy Landscapes for Enzymatic Hydride Transfer Probed by Hydrostatic Pressure. Chembiochem. 2009; 10(8): 1379-1384. eScholarID:101862 | DOI:10.1002/cbic.200900071
• Shields M, Niazi U, Badal S, Yee T, Sutcliffe M, Delgoda R. Inhibition of CYP1A1 by Quassinoids Found in Picrasma excelsa. Planta Medica. 2009; 75(2): 137-141. eScholarID:101861 | DOI:10.1055/s-0028-1088350

2008

• Mclaughlin, LA; Niazi, U; Bibby, J; David, JP; Vontas, J; Hemingway, J; Ranson, H; Sutcliffe, MJ; Paine, MJI. Characterization of inhibitors and substrates of Anopheles gambiae CYP6Z2. INSECT MOLECULAR BIOLOGY. 2008 January; 17: 125-135. eScholarID:1a12176 | DOI:10.1111/j.1365-2583.2007.00788.x
• Marechal, JD; Kemp, CA; Roberts, GCK; Paine, MJI; Wolf, CR; Sutcliffe, MJ. Insights into drug metabolism by cytochromes P450 from modelling studies of CYP2D6-drug interactions. BRITISH JOURNAL OF PHARMACOLOGY. 2008 January; 153: S82-S89. eScholarID:1a12175 | DOI:10.1038/sj.bjp.0707570
• Hay S, Pudney C, Sutcliffe M, Scrutton N. Are environmentally coupled enzymatic hydrogen tunneling reactions influenced by changes in solution viscosity?. Angewandte Chemie-International Edition. 2008; 47(3): 537-540. eScholarID:1f304 | DOI:10.1002/anie.200704484
• Hay S, Pudney C, Hothi P, Johannissen L, Masgrau L, Pang J, Leys D, Sutcliffe M, Scrutton N. Atomistic insight into the origin of the temperature-dependence of kinetic isotope effects and H-tunnelling in enzyme systems is revealed through combined experimental studies and biomolecular simulation. Biochemical Society Transactions. 2008 February; 36: 16-21. eScholarID:1f305 | DOI:10.1042/bst0360016
• Hay S, Pang J, Monaghan P, Wang X, Evans R, Sutcliffe M, Allemann R, Scrutton N. Secondary kinetic isotope effects as probes of environmentally-coupled enzymatic hydrogen tunneling reactions. Chemphyschem. 2008 August; 9(11): 1536-1539. eScholarID:1f306 | DOI:10.1002/cphc.200800291
• Hay S, Pudney C, Sutcliffe M, Scrutton N. Solvent as a probe of active site motion and chemistry during the hydrogen tunnelling reaction in morphinone reductase. Chemphyschem. 2008 September; 9(13): 1875-1881. eScholarID:1f303 | DOI:10.1002/cphc.200800303
• Hothi P, Hay S, Roujeinikova A, Sutcliffe M, Lee M, Leys D, Cullis P, Scrutton N. Driving Force Analysis of Proton Tunnelling Across a Reactivity Series for an Enzyme-Substrate Complex. Chembiochem. 2008 November; 9(17): 2839-2845. eScholarID:1f288 | DOI:10.1002/cbic.200800408
• Johannissen L, Scrutton N, Sutcliffe M. The enzyme aromatic amine dehydrogenase induces a substrate conformation crucial for promoting vibration that significantly reduces the effective potential energy barrier to proton transfer. Journal of the Royal Society Interface. 2008 December; 5: S225-S232. eScholarID:1f265 | DOI:10.1098/rsif.2008.0068.focus
• Kapelyukh Y, Paine M, Marechal J, Sutcliffe M, Wolf C, Roberts G. Multiple substrate binding by cytochrome P450 3A4: Estimation of the number of bound substrate molecules. Drug Metabolism and Disposition. 2008; 36(10): 2136-2144. eScholarID:101599 | DOI:10.1124/dmd.108.021733
• MacFarlane, M, S L Kohlhaas, M J Sutcliffe, M J S Dyer, and G M Cohen. Receptor-selective TRAIL Mutants Target Lymphoid Tumor cells for Apoptosis via TRAIL-R1: Implications for Therapy. Annual Congress of the British-Toxicological-Society. Elsevier Ireland Ltd: 2008: 6-7. eScholarID:2f43 | DOI:10.1016/j.tox.2008.07.046
• Pang J, Hay S, Scrutton N, Sutcliffe M. Deep tunneling dominates the biologically important hydride transfer reaction from NADH to FMN in morphinone reductase. Journal of the American Chemical Society. 2008 June; 130(22): 7092-7097. eScholarID:1f162 | DOI:10.1021/ja800471f
• Roberts J, Digby H, Kara M, El A, Sutcliffe M, Evans R. Cysteine substitution mutagenesis at human P2X2 and P2X4 receptors indicates a common mode of ATP action at P2X receptors. Purinergic Signalling. 2008; 4: S137-S137. eScholarID:101597
• Roberts J, Digby H, Kara M, El A, Sutcliffe M, Evans R. Cysteine substitution mutagenesis and the effects of methanethiosulfonate reagents at P2X(2) and P2X(4) receptors support a core common mode of ATP action at P2X receptors. Journal of Biological Chemistry. 2008; 283(29): 20126-20136. eScholarID:101605 | DOI:10.1074/jbc.M800294200
• Sattelle B, Sutcliffe M. Calculating Chemically Accurate Redox Potentials for Engineered Flavoproteins from Classical Molecular Dynamics Free Energy Simulations. Journal of Physical Chemistry A. 2008 December; 112(50): 13053-13057. eScholarID:1f108 | DOI:10.1021/jp803859j
• Stansfeld P, Grottesi A, Sands Z, Sansom M, Gedeck P, Gosling M, Cox B, Stanfield P, Mitcheson J, Sutcliffe M. Insight into the mechanism of inactivation and pH sensitivity in potassium channels from molecular dynamics simulations. Biochemistry. 2008 July; 47(28): 7414-7422. eScholarID:1f82 | DOI:10.1021/bi800475j

2007

• Hardman, RM; Stansfeld, PJ; Dalibalta, S; Sutcliffe, MJ; Mitcheson, JS. Activation Gating of hERG potassium channels - S6 glycines are not required as gating hinges. JOURNAL OF BIOLOGICAL CHEMISTRY. 2007 January; 282: 31972-31981. eScholarID:1a12178
• Ranaghan, KE; Masgrau, L; Scrutton, NS; Sutcliffe, MJ; Mulholland, AJ. Analysis of classical and quantum paths for deprotonation of methylamine by methylamine dehydrogenase. CHEMPHYSCHEM. 2007 August; 8: 1816-1835. eScholarID:1a6936
• Stansfeld, PJ; Gedeck, P; Gosling, M; Cox, B; Mitcheson, JS; Sutcliffe, MJ. Drug block of the hERG potassium channel: Insight from modeling. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS. 2007 August; 68: 568-580. eScholarID:1a6937
• Pudney, CR; Hay, S; Pang, JY; Costello, C; Leys, D; Sutcliffe, MJ; Scrutton, NS. Mutagenesis of morphinone reductase induces multiple reactive configurations and identifies potential ambiguity in kinetic analysis of enzyme tunneling mechanisms. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 2007 November; 129: 13949-13956. eScholarID:1a6933
• Hay, S; Sutcliffe, MJ; Scrutton, NS. Promoting motions in enzyme catalysis probed by pressure studies of kinetic isotope effects. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA. 2007 January; 104: 507-512. eScholarID:1a6941
• Johannissen, LO; Hay, S; Scrutton, NS; Sutcliffe, MJ. Proton tunneling in aromatic amine dehydrogenase is driven by a short-range sub-picosecond promoting vibration: Consistency of simulation and theory with experiment. JOURNAL OF PHYSICAL CHEMISTRY B. 2007 March; 111: 2631-2638. eScholarID:1a6940
• RECEPTOR-SPECIFIC TUMOUR NECROSIS FACTOR-RELATED APOPTOSIS-INDUCING LIGAND (TRAIL) VARIANTS 2007 June. eScholarID:114887
• Yuill, KH; Stansfeld, PJ; Ashmole, I; Sutcliffe, MJ; Stanfield, PR. The selectivity, voltage-dependence and acid sensitivity of the tandem pore potassium channel TASK-1: contributions of the pore domains. PFLUGERS ARCHIV-EUROPEAN JOURNAL OF PHYSIOLOGY. 2007 January; 455: 333-348. eScholarID:1a12177
• Masgrau, L; Ranaghan, KE; Scrutton, NS; Mulholland, AJ; Sutcliffe, MJ. Tunneling and classical paths for proton transfer in an enzyme reaction dominated by tunneling: Oxidation of tryptamine by aromatic amine dehydrogenase. JOURNAL OF PHYSICAL CHEMISTRY B. 2007 March; 111: 3032-3047. eScholarID:1a6939
• Marechal, J D, C A Kemp, G C K Roberts, M J I Paine, C R Wolf, and M J Sutcliffe. Insights into drug metabolism by cytochromes P450 from modelling studies of CYP2D6-drug interactions. Joint Life Science Meeting of the British-Pharmacological-Society/Physiological-Society/Biochemical-Societ y. Nature Publishing Group: 2007: S82-S89. eScholarID:2f132 | DOI:10.1038/sj.bjp.0707570
• Roujeinikova A, Hothi P, Masgrau L, Sutcliffe M, Scrutton N, Leys D. New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates. Journal of Biological Chemistry. 2007; 282(33): 23766-23777. eScholarID:101596

2006

• Mahale, S; Aubry, C; Wilson, AJ; Jenkins, PR; Marechal, JD; Sutcliffe, MJ; Chaudhuri, B. CA224, a non-planar analogue of fascaplysin, inhibits Cdk4 but not Cdk2 and arrests cells at G(0)/G(1) inhibiting pRB phosphorylation. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS. 2006 August; 16: 4272-4278. eScholarID:1a6948
• Sutcliffe, MJ; Scrutton, NS. Computational studies of enzyme mechanism: linking theory with experiment in the analysis of enzymic H-tunnelling. PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 2006 January; 8: 4510-4516. eScholarID:1a6944
• Aubry, C; Wilson, AJ; Jenkins, PR; Mahale, S; Chaudhuri, B; Marechal, JD; Sutcliffe, MJ. Design, synthesis and biological activity of new CDK4-specific inhibitors, based on fascaplysin. ORGANIC & BIOMOLECULAR CHEMISTRY. 2006 January; 4: 787-801. eScholarID:1a6953
• Perry, M; Stansfeld, PJ; Leaney, J; Wood, C; de Groot, MJ; Leishman, D; Sutcliffe, MJ; Mitcheson, JS. Drug binding interactions in the inner cavity of hERG channels: Molecular insights from structure-activity relationships of clofilium and ibutilide analogs. MOLECULAR PHARMACOLOGY. 2006 February; 69: 509-519. eScholarID:1a6954
• Basran, J; Hothi, P; Masgrau, L; Sutcliffe, MJ; Scrutton, NS. Hydrogen tunneling in enzyme-catalyzed hydrogen transfer: aspects from flavoprotein catalysed reactions. In: Hynes, JT; Klinman, JP; Limbach, HH; Schowen, RL, ed. Hydrogen-Transfer Reactions. New York, Wiley.2006: eScholarID:101573
• Sutcliffe, MJ; Masgrau, L; Roujeinikova, A; Johannissen, LO; Hothi, P; Basran, J; Ranaghan, KE; Mulholland, AJ; Leys, D; Scrutton, NS. Hydrogen tunnelling in enzyme-catalysed H-transfer reactions: flavoprotein and quinoprotein systems. PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES. 2006 August; 361: 1375-1386. eScholarID:1a6947
• Marechal, JD; Yu, JL; Brown, S; Kapelioukh, I; Rankin, EM; Wolf, CR; Roberts, GCK; Paine, MJI; Sutcliffe, MJ. In silico and in vitro screening for inhibition of cytochrome P450CYP3A4 by comedications commonly used by patients with cancer. DRUG METABOLISM AND DISPOSITION. 2006 April; 34: 534-538. eScholarID:1a6952
• Yu, JL; Paine, MJI; Marechal, JD; Kemp, CA; Ward, CJ; Brown, S; Sutcliffe, MJ; Roberts, GCK; Rankin, EM; Wolf, CR. In silico prediction of drug binding to CYP2D6: Identification of a new metabolite of metoclopramide. DRUG METABOLISM AND DISPOSITION. 2006 August; 34: 1386-1392. eScholarID:1a6949
• Mahale, S; Aubry, C; Jenkins, PR; Marechal, JD; Sutcliffe, MJ; Chaudhuri, B. Inhibition of cancer cell growth by cyclin dependent kinase 4 inhibitors synthesized based on the structure of fascaplysin. BIOORGANIC CHEMISTRY. 2006 October; 34: 287-297. eScholarID:1a6943
• Marechal, JD; Sutcliffe, MJ. Insights into drug metabolism from modelling studies of cytochrome P450-drug interactions. CURRENT TOPICS IN MEDICINAL CHEMISTRY. 2006 January; 6: 1619-1626. eScholarID:1a6945
• Dutton, PL; Munro, AW; Scrutton, NS; Sutcliffe, MJ. Introduction. Quantum catalysis in enzymes: beyond the transition state theory paradigm. PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES. 2006 August; 361: 1293-1294. eScholarID:1a6946
• Stansfeld, PJ; Sutcliffe, MJ; Mitcheson, JS. Molecular mechanisms for drug interactions with hERG that cause long QT syndrome. EXPERT OPINION ON DRUG METABOLISM & TOXICOLOGY. 2006 February; 2: 81-94. eScholarID:1a6938
• McLean, KJ; Clift, D; Lewis, DG; Sabri, M; Balding, PR; Sutcliffe, MJ; Leys, D; Munro, AW. The preponderance of P450s in the Mycobacterium tuberculosis genome. TRENDS IN MICROBIOLOGY. 2006 May; 14: 220-228. eScholarID:1a6950
• Masgrau L, Roujeinikova A, Johannissen L, Hothi P, Basran J, Ranaghan K, Mulholland A, Sutcliffe M, Scrutton N, Leys D. Atomic description of an enzyme reaction dominated by proton tunneling. Science. 2006; 312(5771): 237-241. eScholarID:106117
• Pudney C, Hay S, Sutcliffe M, Scrutton N. alpha-Secondary isotope effects as probes of "tunneling-ready" configurations in enzymatic H-tunneling: Insight from environmentally coupled tunneling models. Journal of the American Chemical Society. 2006; 128(43): 14053-14058. eScholarID:101598 | DOI:10.1021/ja0614619

2005

• McLean, KJ; Sabri, M; Marshall, KR; Lawson, RJ; Lewis, DG; Clift, D; Balding, PR; Dunford, AJ; Warman, AJ; McVey, JP; Quinn, AM; Sutcliffe, MJ; Scrutton, NS; Munro, AW. Biodiversity of cytochrome P450 redox systems. BIOCHEMICAL SOCIETY TRANSACTIONS. 2005 August; 33: 796-801. eScholarID:1a6958
• Digby, HR; Roberts, JA; Sutcliffe, MJ; Evans, RJ. Contribution of conserved glycine residues to ATP action at human P2X(1) receptors: mutagenesis indicates that the glycine at position 250 is important for channel function. JOURNAL OF NEUROCHEMISTRY. 2005 December; 95: 1746-1754. eScholarID:1a6956
• Hothi, P; Sutcliffe, MJ; Scrutton, NS. Kinetic isotope effects and ligand binding in PQQ-dependent methanol dehydrogenase. BIOCHEMICAL JOURNAL. 2005 May; 388: 123-133. eScholarID:1a6960
• Kemp, CA; Marechal, JD; Sutcliffe, MJ. Progress in cytochrome P450 active site modeling. ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS. 2005 January; 433: 361-368. eScholarID:1a6961
• Messiha, HL; Bruce, NC; Sattelle, BM; Sutcliffe, MJ; Munro, AW; Scrutton, NS. Role of active site residues and solvent in proton transfer and the modulation of flavin reduction potential in bacterial morphinone reductase. JOURNAL OF BIOLOGICAL CHEMISTRY. 2005 July; 280: 27103-27110. eScholarID:1a6959
• Basran, J; Masgrau, L; Sutcliffe, MJ; Scrutton, NS. Solution and computational studies of kinetic isotope effects in flavoprotein and quinoprotein catalyzed substrate oxidations as probes of enzymic hydrogen tunneling and mechanism. In: Kohen, A; Limbach, HH, ed. Isotope effects in Chemistry and Biology. London, Taylor and Francis.2005: eScholarID:101575
• MacFarlane, M; Kohlhaas, SL; Sutcliffe, MJ; Dyer, MJS; Cohen, GM. TRAIL receptor-selective mutants signal to apoptosis via TRAIL-R1 in primary lymphoid malignancies. CANCER RESEARCH. 2005 December; 65: 11265-11270. eScholarID:1a6955
• McLaughlin, LA; Paine, MJI; Kemp, CA; Marechal, JD; Flanagan, JU; Ward, CJ; Sutcliffe, MJ; Roberts, GCK; Wolf, CR. Why is quinidine an inhibitor of cytochrome P450 2D6? The role of key active-site residues in quinidine binding. JOURNAL OF BIOLOGICAL CHEMISTRY. 2005 November; 280: 38617-38624. eScholarID:1a6957
• Aubry C, Patel A, Mahale S, Chaudhuri B, Marechal J, Suteliffe M, Jenkins P. The design and synthesis of novel 3-[2-indol-1-yl-ethyl]-1-H-indole derivatives as selective inhibitors of CDK4. Tetrahedron Letters. 2005; 46(9): 1423-1425. eScholarID:101603 | DOI:10.1016/j.tetlet.2005.01.054

2004

• Sutcliffe, MJ. A copper-bottomed trafficking solution. STRUCTURE. 2004 April; 12: 517-518. eScholarID:1a6969
• Toogood, HS; van Thiel, A; Basran, J; Sutcliffe, MJ; Scrutton, NS; Leys, D. Extensive domain motion and electron transfer in the human electron transferring flavoprotein center dot medium chain acyl-CoA dehydrogenase complex. JOURNAL OF BIOLOGICAL CHEMISTRY. 2004 July; 279: 32904-32912. eScholarID:1a6966
• Masgrau, L; Basran, J; Hothi, P; Sutcliffe, MJ; Scrutton, NS. Hydrogen tunneling in quinoproteins. ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS. 2004 August; 428: 41-51. eScholarID:1a6967
• de Groot, MJ; Kirton, SB; Sutcliffe, MJ. In silico methods for predicting ligand binding determinants of cytochromes P450. CURRENT TOPICS IN MEDICINAL CHEMISTRY. 2004 January; 4: 1803-1824. eScholarID:1a6962
• Aubry, C; Jenkins, PR; Mahale, S; Chaudhuri, B; Marechal, JD; Sutcliffe, MJ. New fascaplysin-based CDK4-specific inhibitors: design, synthesis and biological activity. CHEMICAL COMMUNICATIONS. 2004 January; 43: 1696-1697. eScholarID:1a6965
• Flanagan, JU; Marechal, JD; Ward, R; Kemp, CA; Mclaughlin, LA; Sutcliffe, MJ; Roberts, GCK; Paine, MJI; Wolf, CR. Phe(120) contributes to the regiospecificity of cytochrome P450 2D6: mutation leads to the formation of a novel dextromethorphan metabolite. BIOCHEMICAL JOURNAL. 2004 June; 380: 353-360. eScholarID:1a6968
• Sutcliffe, MJ. Protein structure and function - insight from computational studies. Biochemist. 2004; 26: 13-16. eScholarID:101552
• Lawson, RJ; Leys, D; Sutcliffe, MJ; Kemp, CA; Cheesman, MR; Smith, SJ; Clarkson, J; Smith, WE; Haq, I; Perkins, JB; Munro, AW. Thermodynamic and biophysical characterization of cytochrome p450 BioI from Bacillus subtilis. BIOCHEMISTRY. 2004 October; 43: 12410-12426. eScholarID:1a6964
• SUTCLIFFE MJ; CA KEMP; JU FLANAGAN; AJ VAN ELDIK; . Validation of model of cytochrome P450 2D6: an in silico tool for predicting metabolism and inhibition. Journal of Medicinal Chemistry. 2004 September; 47(22): 5340-5346. eScholarID:1a10722 | DOI:10.1021/jm049934e
• Leys D, Basran J, Talfournier F, Chohan K, Munro A, Sutcliffe M, Scrutton N. Flavin radicals, conformational sampling and robust design principles in interprotein electron transfer: the trimethylamine dehydrogenase-electron-transferring flavoprotein complex. Free Radicals: Enzymology, Signalling and Disease. 2004; (71): 1-14. eScholarID:101600

2003

• Stanfield, PR; Sutcliffe, MJ. Commentary - Spermine is fit to block inward rectifier (Kir) channels. JOURNAL OF GENERAL PHYSIOLOGY. 2003 November; 122: 481-484. eScholarID:1a6971
• Munro, AW; McLean, KJ; Marshall, KR; Warman, AJ; Lewis, G; Roitel, O; Sutcliffe, MJ; Kemp, CA; Modi, S; Scrutton, NS; Leys, D. Cytochromes P450: novel drug targets in the war against multidrug-resistant Mycobacterium tuberculosis. BIOCHEMICAL SOCIETY TRANSACTIONS. 2003 June; 31: 625-630. eScholarID:1a6973
• Hothi, P; Basran, J; Sutcliffe, MJ; Scrutton, NS. Effects of multiple ligand binding on kinetic isotope effects in PQQ-dependent methanol dehydrogenase. BIOCHEMISTRY. 2003 April; 42: 3966-3978. eScholarID:1a6974
• SUTCLIFFE MJ; D LEYS; J BASRAN; F TALFOURNIER; . Extensive conformational sampling in a ternary electron transfer complex. Nature Structural Biology. 2003 February; 10(3): 219-225. eScholarID:1a10724 | DOI:10.1038/nsb894
• Basran, J; Harris, RJ; Sutcliffe, MJ; Scrutton, NS. H-tunneling in the multiple H-transfers of the catalytic cycle of morphinone reductase and in the reductive half-reaction of the homologous pentaerythritol tetranitrate reductase. JOURNAL OF BIOLOGICAL CHEMISTRY. 2003 November; 278: 43973-43982. eScholarID:1a6972
• Paine, MJI; McLaughlin, LA; Flanagan, JU; Kemp, CA; Sutcliffe, MJ; Roberts, GCK; Wolf, CR. Residues glutamate 216 and aspartate 301 are key determinants of substrate specificity and product regioselectivity in cytochrome p450 2D6. JOURNAL OF BIOLOGICAL CHEMISTRY. 2003 February; 278: 4021-4027. eScholarID:1a6977
• Flanagan, JU; McLaughlin, LA; Paine, MJI; Sutcliffe, MJ; Roberts, GCK; Wolf, CR. Role of conserved Asp(293) of cytochrome P4502C9 in substrate recognition and catalytic activity. BIOCHEMICAL JOURNAL. 2003 March; 370: 921-926. eScholarID:1a6975
• van Eldik, AJ; Marechal, JD; Kemp, C; Flanagan, J; Sutcliffe, M; Paine, M; Roberts, GCK; Wolf, RC. Theoretical and experimental validation of cytochrome 2D6 stuctural model. DRUG METABOLISM REVIEWS. 2003 January; 35: 165-165. eScholarID:1a6970

2002

• Sutcliffe, MJ; Scrutton, NS. A new conceptual framework for enzyme catalysis - Hydrogen tunneling coupled to enzyme dynamics in flavoprotein and quinoprotein enzymes. EUROPEAN JOURNAL OF BIOCHEMISTRY. 2002 July; 269: 3096-3102. eScholarID:1a6979
• Kirton, SB; Baxter, CA; Sutcliffe, MJ. Comparative modelling of cytochromes P450. ADVANCED DRUG DELIVERY REVIEWS. 2002 March; 54: 385-406. eScholarID:1a6980
• Jones, M; Talfournier, F; Bobrov, A; Grossmann, JG; Vekshin, N; Sutcliffe, MJ; Scrutton, NS. Electron transfer and conformational change in complexes of trimethylamine dehydrogenase and electron transferring flavoprotein. JOURNAL OF BIOLOGICAL CHEMISTRY. 2002 March; 277: 8457-8465. eScholarID:1a6981
• Kirton, SB; Kemp, CA; Tomkinson, NP; St-Gallay, S; Sutcliffe, MJ. Impact of incorporating the 2C5 crystal structure into comparative models of cytochrome P450 2D6. PROTEINS-STRUCTURE FUNCTION AND GENETICS. 2002 November; 49: 216-231. eScholarID:1a6978

2001

• Basran, J; Sutcliffe, MJ; Scrutton, NS. Deuterium isotope effects during carbon-hydrogen bond cleavage by trimethylamine dehydrogenase - Implications for mechanism and vibrationally assisted hydrogen tunneling in wild-type and mutant enzymes. JOURNAL OF BIOLOGICAL CHEMISTRY. 2001 July; 276: 24581-24587. eScholarID:1a6985
• Celik, A; Cullis, PM; Sutcliffe, MJ; Sangar, R; Raven, EL. Engineering the active site of ascorbate peroxidase. EUROPEAN JOURNAL OF BIOCHEMISTRY. 2001 January; 268: 78-85. eScholarID:1a6990
• Basran, J; Patel, S; Sutcliffe, MJ; Scrutton, NS. Importance of barrier shape in enzyme-catalyzed reactions - Vibrationally assisted hydrogen tunneling in tryptophan tryptophylquinone-dependent amine dehydrogenases. JOURNAL OF BIOLOGICAL CHEMISTRY. 2001 March; 276: 6234-6242. eScholarID:1a6989
• Basran, J; Sutcliffe, MJ; Scrutton, NS. Optimizing the Michaelis complex of trimethylamine dehydrogenase - Identification of interactions that perturb the ionization of substrate and facilitate catalysis with trimethylamine base. JOURNAL OF BIOLOGICAL CHEMISTRY. 2001 November; 276: 42887-42892. eScholarID:1a6982
• SUTCLIFFE MJ; KK CHOHAN; M JONES; JG GROSSMANN; . Protein dynamics enhance electronic coupling in electron transfer complexes. Journal of Biological Chemistry. 2001 June; 276(36): 34142-34147. eScholarID:1a10725 | DOI:10.1074/jbc.M101341200
• Faulder, PF; Tresadern, G; Chohan, KK; Scrutton, NS; Sutcliffe, MJ; Hillier, IH; Burton, NA. QM/MM studies show substantial tunneling for the hydrogen-transfer reaction in methylamine dehydrogenase. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 2001 September; 123: 8604-8605. eScholarID:1a6984
• So, I; Ashmole, I; Davies, NW; Sutcliffe, MJ; Stanfield, PR. The K+ channel signature sequence of murine Kir2.l: mutations that affect microscopic gating but not ionic selectivity. JOURNAL OF PHYSIOLOGY-LONDON. 2001 February; 531: 37-50. eScholarID:1a6988
• Talfournier, F; Munro, AW; Basran, J; Sutcliffe, MJ; Daff, S; Chapman, SK; Scrutton, NS. alpha Arg-237 in Methylophilus methylotrophus (sp W3A1) electron-transferring flavoprotein affords similar to 200-millivolt stabilization of the FAD anionic semiquinone and a kinetic block on full reduction to the dihydroquinone. JOURNAL OF BIOLOGICAL CHEMISTRY. 2001 June; 276: 20190-20196. eScholarID:1a6987

2000

• Fowler, SM; Riley, RJ; Pritchard, MP; Sutcliffe, MJ; Friedberg, T; Wolf, CR. Amino acid 305 determines catalytic center accessibility in CYP3A4. BIOCHEMISTRY. 2000 April; 39: 4406-4414. eScholarID:1a6997
• Basran, J; Chohan, KK; Sutcliffe, MJ; Scrutton, NS. Differential coupling through Val-344 and Tyr-442 of trimethylamine dehydrogenase in electron transfer reactions with ferricenium ions and electron transferring flavoprotein. BIOCHEMISTRY. 2000 August; 39: 9188-9200. eScholarID:1a6993
• Thompson, G; Leyland, ML; Ashmole, I; Sutcliffe, MJ; Stanfield, PR. Double mutation of residues in H5 and M2 in murine Kir2.1 significantly increases Cs+ and Rb+ permeance. BIOPHYSICAL JOURNAL. 2000 January; 78: 344A-344A. eScholarID:1a7002
• Sutcliffe, MJ; Scrutton, NS. Enzyme catalysis: over-the-barrier or through-the-barrier?. TRENDS IN BIOCHEMICAL SCIENCES. 2000 September; 25: 405-408. eScholarID:1a6991
• Sutcliffe, MJ; Scrutton, MS. Enzymology takes a quantum leap forward. PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES. 2000 January; 358: 367-386. eScholarID:1a6999
• Harris, RJ; Meskys, R; Sutcliffe, MJ; Scrutton, NS. Kinetic studies of the mechanism of carbon-hydrogen bond breakage by the heterotetrameric sarcosine oxidase of Arthrobacter sp 1-IN. BIOCHEMISTRY. 2000 February; 39: 1189-1198. eScholarID:1a7000
• Thompson, GA; Leyland, ML; Ashmole, I; Sutcliffe, MJ; Stanfield, PR. Residues beyond the selectivity filter of the K+ channel Kir2.1 regulate permeation and block by external Rb+ and Cs+. JOURNAL OF PHYSIOLOGY-LONDON. 2000 July; 526: 231-240. eScholarID:1a6992
• Trickey, P; Basran, J; Lian, LY; Chen, ZW; Barton, JD; Sutcliffe, MJ; Scrutton, NS; Mathews, FS. Structural and biochemical characterization of recombinant wild type and a C30A mutant of trimethylamine dehydrogenase from Methylphilus methylotrophus (sp W(3)A(1)). BIOCHEMISTRY. 2000 July; 39: 7678-7688. eScholarID:1a6995
• Chohan, KK; Wo, ZG; Oswald, RE; Sutcliffe, MJ. Structural insights into NMDA ionotropic glutamate receptors via molecular modelling. JOURNAL OF MOLECULAR MODELING. 2000 January; 6: 16-25. eScholarID:1a7003
• Gizachew, D; Guo, W; Chohan, KK; Sutcliffe, MJ; Oswald, RE. Structure of the complex of Cdc42Hs with a peptide derived from p-21 activated kinase. BIOPHYSICAL JOURNAL. 2000 January; 78: 288A-288A. eScholarID:1a7001
• Abrams, CJ; Ashmole, I; Brammar, WJ; Conley, EC; Dart, C; Davies, NW; Leyland, MJ; Passmore, GM; Shelton, PA; Spencer, P; Sutcliffe, MJ; Thompson, GA; Stanfield, PR. Studies of structure and function in inward rectifier potassium channels. JOURNAL OF PHYSIOLOGY-LONDON. 2000 February; 523: 4S-5S. eScholarID:1a6998
• Scrutton, NS; Sutcliffe, MJ. Trimethylamine dehydrogenase and electron transferring flavoprotein. In: Holzenburg, A; Scrutton, NS, ed. Enzyme-Catalysed Electron and Radical Transfer. New York, Kluwer.2000: eScholarID:101564
• Jones, M; Basran, J; Sutcliffe, MJ; Grossmann, JG; Scrutton, NS. X-ray scattering studies of Methylophilus methylotrophus (sp W(3)A(1)) electron-transferring flavoprotein - Evidence for multiple conformational states and an induced fit mechanism for assembly with trimethylamine dehydrogenase. JOURNAL OF BIOLOGICAL CHEMISTRY. 2000 July; 275: 21349-21354. eScholarID:1a6994

1999

• Wo, ZG; Chohan, KK; Chen, HY; Sutcliffe, MJ; Oswald, RE. Cysteine mutagenesis and homology modeling of the ligand-binding site of a kainate-binding protein. JOURNAL OF BIOLOGICAL CHEMISTRY. 1999 December; 274: 37210-37218. eScholarID:1a7004
• Scrutton, NS; Basran, J; Wilson, EK; Chohan, KK; Jang, MH; Sutcliffe, MJ; Hille, R. Electron transfer in trimethylamine dehydrogenase and electron-transferring flavoprotein. BIOCHEMICAL SOCIETY TRANSACTIONS. 1999 February; 27: 196-201. eScholarID:1a7011
• Basran, J; Sutcliffe, MJ; Scrutton, NS. Enzymatic H-transfer requires vibration-driven extreme tunneling. BIOCHEMISTRY. 1999 March; 38: 3218-3222. eScholarID:1a7010
• Basran, J; Roberts, P; Scrutton, NS; Sutcliffe, MJ. Hydrogen tunnelling in amine dehydrogenases from methylotrophic bacteria. In: Ghisla, S; Kroneck, P; Macheroux, P; Sund, H, ed. Flavins and Flavoproteins. Berlin, Rudolf Weber.1999: eScholarID:101562
• Harris, RJ; Scrutton, NS; Sutcliffe, MJ; Meskeys, R. Investigating the mechanism of C-H bond breakage in heterotetrameric sarcosine oxidase of Arthobacter sp. 1-IN. In: Ghisla, S; Kroneck, P; Macheroux, P; Sund, H, ed. Flavins and Flavoproteins. Berlin, Rudolf Weber.1999: eScholarID:101563
• Scrutton, NS; Basran, J; Sutcliffe, MJ. New insights into enzyme catalysis - Ground state tunnelling driven by protein dynamics. EUROPEAN JOURNAL OF BIOCHEMISTRY. 1999 September; 264: 666-671. eScholarID:1a7006
• Basran, J; Sutcliffe, MJ; Hille, R; Scrutton, NS. Reductive half-reaction of the H172Q mutant of trimethylamine dehydrogenase: evidence against a carbanion mechanism and assignment of kinetically influential ionizations in the enzyme-substrate complex. BIOCHEMICAL JOURNAL. 1999 July; 341: 307-314. eScholarID:1a7007
• Leyland, ML; Dart, C; Spencer, PJ; Sutcliffe, MJ; Stanfield, PR. The possible role of a disulphide bond in forming functional Kir2.1 potassium channels. PFLUGERS ARCHIV-EUROPEAN JOURNAL OF PHYSIOLOGY. 1999 November; 438: 778-781. eScholarID:1a7005
• Basran, J; Jang, MH; Sutcliffe, MJ; Hille, R; Scrutton, NS. The role of Tyr-169 of trimethylamine dehydrogenase in substrate oxidation and magnetic interaction between FMN cofactor and the 4Fe/4S center. JOURNAL OF BIOLOGICAL CHEMISTRY. 1999 May; 274: 13155-13161. eScholarID:1a7009
• Dart C, Leyland M, Spencer P, Stanfield P, Sutcliffe M. Topology of the pore region of an inward rectifier K+ channel, Kir2.1. Molecular and Functional Diversity of Ion Channels and Receptors. 1999; 868: 414-417. eScholarID:101602

1998

• Cullis, PM; Merson-Davies, L; Sutcliffe, MJ; Weaver, R. DNA alkylation sites of nitrogen mustards conjugated to polyamines and their implications for polyamine-DNA interactions. CHEMICAL COMMUNICATIONS. 1998 August; 26: 1699-1700. eScholarID:1a7016
• Guo, W; Sutcliffe, MJ; Cerione, RA; Oswald, RE. Definition of the binding surface on Cdc42Hs for p21-activated kinase. BIOPHYSICAL JOURNAL. 1998 February; 74: A198-A198. eScholarID:1a7019
• Smith, G; Modi, S; Pillai, I; Lian, LY; Sutcliffe, MJ; Pritchard, MP; Friedberg, T; Roberts, GCK; Wolf, CR. Determinants of the substrate specificity of human cytochrome P-450 CYP2D6: design and construction of a mutant with testosterone hydroxylase activity. BIOCHEMICAL JOURNAL. 1998 May; 331: 783-792. eScholarID:1a7024
• Guo, W; Sutcliffe, MJ; Cerione, RA; Oswald, RE. Identification of the binding surface on Cdc42Hs for p21-activated kinase. BIOCHEMISTRY. 1998 October; 37: 14030-14037. eScholarID:1a7012
• Chohan, KK; Scrutton, NS; Sutcliffe, MJ. Major structural reorganisation most likely accompanies the transient formation of a physiological electron transfer complex. PROTEIN AND PEPTIDE LETTERS. 1998 August; 5: 231-236. eScholarID:1a7018
• Chohan, KK; Scrutton, NS; Sutcliffe, MJ. Major structural reorganisation most likely accompanies the transient formation of a physiological electron transfer complex. PROTEIN AND PEPTIDE LETTERS. 1998; 5: 231-236. eScholarID:101551
• Ertughrul, OWD; Errington, N; Raza, S; Sutcliffe, MJ; Rowe, AJ; Scrutton, NS. Probing the stabilizing role of C-terminal residues in trimethylamine dehydrogenase. PROTEIN ENGINEERING. 1998 June; 11: 447-455. eScholarID:1a7017
• Dart, C; Leyland, ML; Barrett-Jolley, R; Shelton, PA; Spencer, PJ; Conley, EC; Sutcliffe, MJ; Stanfield, PR. The dependence of Ag+ block of a potassium channel, murine Kir2.1, on a cysteine residue in the selectivity filter. JOURNAL OF PHYSIOLOGY-LONDON. 1998 August; 511: 15-24. eScholarID:1a7013
• Dart, C; Leyland, ML; Spencer, PJ; Stanfield, PR; Sutcliffe, MJ. The selectivity filter of a potassium channel, murine Kir2.1, investigated using scanning cysteine mutagenesis. JOURNAL OF PHYSIOLOGY-LONDON. 1998 August; 511: 25-32. eScholarID:1a7014
• Roberts, GCK; Modi, S; Sutcliffe, MJ; Lian, LY; Primrose, WU; Wolf, CR. The use of NMR methods to study substrate binding to cytochromes P450. BRITISH JOURNAL OF PHARMACOLOGY. 1998 March; 123: U198-U198. eScholarID:1a7025
• Sutcliffe, MJ; Smeeton, AH; Wo, ZG; Oswald, RE. Three dimensional models of glutamate receptors. BIOPHYSICAL JOURNAL. 1998 February; 74: A386-A386. eScholarID:1a7020
• Sutcliffe, MJ; Smeeton, AH; Wo, ZG; Oswald, RE. Three-dimensional models of glutamate receptors. FARADAY DISCUSSIONS. 1998 January; 341: 259-272. eScholarID:1a7008
• Sutcliffe, MJ; Smeeton, AH; Wo, ZG; Oswald, RE. Three-dimensional models of glutamate receptors. BIOCHEMICAL SOCIETY TRANSACTIONS. 1998 August; 26: 450-458. eScholarID:1a7015
• Sutcliffe M, Smeeton A, Wo Z, Oswald R. Molecular modeling of ligand-gated ion channels. Ion Channels, Pt B. 1998; 293: 589-620. eScholarID:101601

1997

• Modi, S; Gilham, DE; Sutcliffe, MJ; Lian, LY; Primrose, WU; Wolf, CR; Roberts, GCK. 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine as a substrate of cytochrome P450 2D6: Allosteric effects of NADPH-cytochrome P450 reductase. BIOCHEMISTRY. 1997 April; 36: 4461-4470. eScholarID:1a7031
• Oliver, CF; Modi, S; Sutcliffe, MJ; Primrose, WU; Lian, LY; Roberts, GCK. A single mutation in cytochrome P450 BM3 changes substrate orientation in a catalytic intermediate and the regiospecificity of hydroxylation. BIOCHEMISTRY. 1997 February; 36: 1567-1572. eScholarID:1a7033
• Modi, S; Paine, MJ; Oliver, CF; Smith, G; Sutcliffe, MJ; Gilham, DE; Shaw, ANJ; Lian, LY; Primrose, WU; Wolf, CR; Roberts, GCK. Active site models of human cytochrome P450s based on NMR relaxation measurements. FASEB JOURNAL. 1997 July; 11: A771-A771. eScholarID:1a7021
• Roberts, GCK; Modi, S; Gilham, DE; Sutcliffe, MJ; Lian, LY; Primrose, WU; Wolf, CR. Allosteric effects of cytochrome P450 reductase on cytochrome P450 2D6. FASEB JOURNAL. 1997 July; 11: A789-A789. eScholarID:1a7023
• Kelley, LA; Gardner, SP; Sutcliffe, MJ. An automated approach for defining core atoms and domains in an ensemble of NMR-derived protein structures. PROTEIN ENGINEERING. 1997 June; 10: 737-741. eScholarID:1a7029
• Wilson, EK; Huang, LX; Sutcliffe, MJ; Mathews, FS; Hille, R; Scrutton, NS. An exposed tyrosine on the surface of trimethylamine dehydrogenase facilitates electron transfer to electron transferring flavoprotein: Kinetics of transfer in wild-type and mutant complexes. BIOCHEMISTRY. 1997 January; 36: 41-48. eScholarID:1a7034
• Hill, AP; Modi, S; Sutcliffe, MJ; Turner, DD; Gilfoyle, DJ; Smith, AT; Tam, BM; Lloyd, E. Chemical, spectroscopic and structural investigation of the substrate-binding site in ascorbate peroxidase. EUROPEAN JOURNAL OF BIOCHEMISTRY. 1997 September; 248: 347-354. eScholarID:1a7028
• Roberts, GCK; Sutcliffe, MJ; Modi, S; Lian, LY; Primrose, WU; Wolf, CR. Construction of models of P450-substrate complexes by a combination of NMR and homology modelling. FASEB JOURNAL. 1997 July; 11: A778-A778. eScholarID:1a7022
• Feltham, JL; Dotsch, V; Raza, S; Manor, D; Cerione, RA; Sutcliffe, MJ; Wagner, G; Oswald, RE. Definition of the switch surface in the solution structure of Cdc42Hs. BIOCHEMISTRY. 1997 July; 36: 8755-8766. eScholarID:1a7030
• Kelley, LA; Sutcliffe, MJ. OLDERADO: On-line database of ensemble representatives and domains. PROTEIN SCIENCE. 1997 December; 6: 2628-2630. eScholarID:1a7026
• Dart, C; Leyland, ML; Spencer, PJ; Conley, EC; Stanfield, PR; Sutcliffe, MJ. Possible topology of the H5 region of an inward rectifier K+ channel, murine IRK1. JOURNAL OF PHYSIOLOGY-LONDON. 1997 November; 504P: P155-P155. eScholarID:1a7027
• Khan, KK; Mazumdar, S; Modi, S; Sutcliffe, M; Roberts, GCK; Mitra, S. Steady-state and picosecond-time-resolved fluorenscence studies on the recombinant heme domain of Bacillus megaterium cytochrome P-450. EUROPEAN JOURNAL OF BIOCHEMISTRY. 1997 March; 244: 361-370. eScholarID:1a7032

1996

• Modi, S; Paine, MJ; Sutcliffe, MJ; Lian, LY; Primrose, WU; Wolf, CR; Roberts, GCK. A model for human cytochrome P-450 2D6 based on homology modeling and NMR studies of substrate binding. BIOCHEMISTRY. 1996 April; 35: 4540-4550. eScholarID:1a7040
• Kelley, LA; Gardner, SP; Sutcliffe, MJ. An automated approach for clustering an ensemble of NMR-derived protein structures into conformationally related subfamilies. PROTEIN ENGINEERING. 1996 November; 9: 1063-1065. eScholarID:1a7035
• Cabral, JHM; Petosa, C; Sutcliffe, MJ; Raza, S; Byron, O; Poy, F; Marfatia, SM; Chishti, AH; Liddington, RC. Crystal structure of a PDZ domain. NATURE. 1996 August; 382: 649-652. eScholarID:1a7037
• Tozer, EC; Liddington, RC; Sutcliffe, MJ; Smeeton, AH; Loftus, JC. Ligand binding to integrin alpha(IIb)beta(3) is dependent on a MIDAS-like domain in the beta(3) subunit. JOURNAL OF BIOLOGICAL CHEMISTRY. 1996 September; 271: 21978-21984. eScholarID:1a7036
• Atkinson, RS; Barker, E; Sutcliffe, MJ. N-acetyl-N-acyl-3-aminoquinazolinones as chemoselective acetylating agents. CHEMICAL COMMUNICATIONS. 1996 May; 382: 1051-1052. eScholarID:1a7038
• Ramesh, V; Syed, SEH; Frederick, RO; Sutcliffe, MJ; Barnes, M; Roberts, GCK. NMR studies of the mode of binding of corepressors and inducers to Escherichia coli trp repressor. EUROPEAN JOURNAL OF BIOCHEMISTRY. 1996 February; 235: 804-813. eScholarID:1a7043
• Modi, S; Sutcliffe, MJ; Primrose, WU; Lian, LY; Roberts, GCK. The catalytic mechanism of cytochrome P450 BM3 involves a 6 angstrom movement of the bound substrate on reduction. NATURE STRUCTURAL BIOLOGY. 1996 May; 3: 414-417. eScholarID:1a7039
• Sutcliffe, MJ; Wo, ZG; Oswald, RE. Three-dimensional models of non-NMDA glutamate receptors. BIOPHYSICAL JOURNAL. 1996 February; 70: MP397-MP397. eScholarID:1a7042

1995

• FELTHAM, JL; SUTCLIFFE, MJ; CERIONE, RA; WAGNER, G; OSWALD, RE. HETERONUCLEAR NMR AND MODELING STUDIES OF THE RAS-LIKE GTP-BINDING PROTEIN CDC42HS. PROTEIN ENGINEERING. 1995 January; 8: 33-33. eScholarID:1a7045
• MURRAY, IA; CANN, PA; DAY, PJ; DERRICK, JP; SUTCLIFFE, MJ; SHAW, WV; LESLIE, AGW. STEROID RECOGNITION BY CHLORAMPHENICOL ACETYLTRANSFERASE - ENGINEERING AND STRUCTURAL-ANALYSIS OF A HIGH-AFFINITY FUSIDIC ACID-BINDING SITE. JOURNAL OF MOLECULAR BIOLOGY. 1995 December; 254: 993-1005. eScholarID:1a7044

1994

• FELTHAM, JL; SUTCLIFFE, MJ; MANOR, D; CERIONE, RA; OSWALD, RE. 3-DIMENSIONAL NMR AND MODELING STUDIES OF THE CDC42HS PROTEIN. BIOPHYSICAL JOURNAL. 1994 February; 66: A30-A30. eScholarID:1a7051
• SUTCLIFFE, MJ; JASEJA, M; HYDE, EI; LU, XJ; WILLIAMS, JA. 3-DIMENSIONAL STRUCTURE OF THE RGD-CONTAINING NEUROTOXIN HOMOLOG DENDROASPIN. NATURE STRUCTURAL BIOLOGY. 1994 November; 1: 802-807. eScholarID:1a7046
• STANFIELD, PR; DAVIES, NW; SHELTON, PA; SUTCLIFFE, MJ; KHAN, IA; BRAMMAR, WJ; CONLEY, EC. A SINGLE ASPARTATE RESIDUE IS INVOLVED IN BOTH INTRINSIC GATING AND BLOCKAGE BY MG2+ OF THE INWARD RECTIFIER, IRK1. JOURNAL OF PHYSIOLOGY-LONDON. 1994 July; 478: 1-6. eScholarID:1a7048
• BAGSHAW, CR; SUTCLIFFE, MJ. ANOTHER TURN FOR E-F HANDS. NATURE STRUCTURAL BIOLOGY. 1994 April; 1: 209-212. eScholarID:1a7049
• JASEJA, M; LU, XJ; WILLIAMS, JA; SUTCLIFFE, MJ; KAKKAR, VV; PARSLOW, RA; HYDE, EI. H-1-NMR ASSIGNMENTS AND SECONDARY STRUCTURE OF DENDROASPIN, AN RGD-CONTAINING GLYCOPROTEIN IIB-IIIA (ALPHA-IIB-BETA-3) ANTAGONIST WITH A NEUROTOXIN FOLD. EUROPEAN JOURNAL OF BIOCHEMISTRY. 1994 December; 226: 861-868. eScholarID:1a7047
• Sutcliffe, MJ; Feltham, J; Cerione, RA; Oswald, RE. Modelling predicts an additional switch when GTP binds to the Cdc42Hs protein. Protein and Peptide Letters. 1994; 1: 84-91. eScholarID:101549
• SUTCLIFFE, MJ; STANFIELD, PR. PORE REGION OF K+ CHANNEL RACTKI. NATURE. 1994 June; 369: 616-616. eScholarID:1a7050
• Rye, PD; Keyte, J; Sutcliffe, MJ; Bailey, K; Walker, RA. Solid phase synthesis of the pS2 peptide: suggestion of an alternative trefoil structure. Protein and Peptide Letters. 1994; 1: 54-59. eScholarID:101547
• Lian L, Barsukov I, Sutcliffe M, Sze K, Roberts G. PROTEIN LIGAND INTERACTIONS - EXCHANGE PROCESSES AND DETERMINATION OF LIGAND CONFORMATION AND PROTEIN LIGAND CONTACTS. Nuclear Magnetic Resonance, Pt C. 1994; 239: 657-700. eScholarID:101604

1993

• SUTCLIFFE, MJ. CAN A SINGLE STRUCTURE BE USED TO REPRESENT AN ENSEMBLE OF NMR-DERIVED PROTEIN STRUCTURES. JOURNAL OF CELLULAR BIOCHEMISTRY. 1993 February; 229: 258-258. eScholarID:1a7054
• SUTCLIFFE, MJ. REPRESENTING AN ENSEMBLE OF NMR-DERIVED PROTEIN STRUCTURES BY A SINGLE STRUCTURE. PROTEIN SCIENCE. 1993 June; 2: 936-944. eScholarID:1a7052
• SMITH, LJ; SUTCLIFFE, MJ; REDFIELD, C; DOBSON, CM. STRUCTURE OF HEN LYSOZYME IN SOLUTION. JOURNAL OF MOLECULAR BIOLOGY. 1993 February; 229: 930-944. eScholarID:1a7053
• Sutcliffe, MJ. Structure determination from NMR data II: computational approaches. In: Roberts, GCK, ed. NMR of Biological Macromolecules: A Practical Approach. Oxford, UK, IRL Press.1993: eScholarID:101561

1992

• Bacterial IgG-binding proteins: two solutions to a molecular recognition problem. In: Roberts, SM, ed. Molecular Recognition: chemical and biochemical problems II. Cambridge, UK, The Royal Society of Chemistry.1992: eScholarID:101559
• LIAN, LY; DERRICK, JP; SUTCLIFFE, MJ; YANG, JC; ROBERTS, GCK. DETERMINATION OF THE SOLUTION STRUCTURES OF DOMAIN-II AND DOMAIN-III OF PROTEIN-G FROM STREPTOCOCCUS BY H-1 NUCLEAR-MAGNETIC-RESONANCE. JOURNAL OF MOLECULAR BIOLOGY. 1992 December; 228: 1219-1234. eScholarID:1a7055
• LI, X; SUTCLIFFE, MJ; SCHWARTZ, TW; DOBSON, CM. SEQUENCE-SPECIFIC H-1-NMR ASSIGNMENTS AND SOLUTION STRUCTURE OF BOVINE PANCREATIC-POLYPEPTIDE. BIOCHEMISTRY. 1992 February; 31: 1245-1253. eScholarID:1a7057
• SUTCLIFFE, MJ; DOBSON, CM; OSWALD, RE. SOLUTION STRUCTURE OF NEURONAL BUNGAROTOXIN DETERMINED BY 2-DIMENSIONAL NMR-SPECTROSCOPY - CALCULATION OF TERTIARY STRUCTURE USING SYSTEMATIC HOMOLOGOUS MODEL-BUILDING, DYNAMIC SIMULATED ANNEALING, AND RESTRAINED MOLECULAR-DYNAMICS. BIOCHEMISTRY. 1992 March; 31: 2962-2970. eScholarID:1a7056

1991

• SMITH, LJ; SUTCLIFFE, MJ; REDFIELD, C; DOBSON, CM. ANALYSIS OF PHI AND CHI-1 TORSION ANGLES FOR HEN LYSOZYME IN SOLUTION FROM H-1-NMR SPIN SPIN COUPLING-CONSTANTS. BIOCHEMISTRY. 1991 January; 30: 986-996. eScholarID:1a7061
• SUTCLIFFE, MJ; DOBSON, CM. RELAXATION DATA IN NMR STRUCTURE DETERMINATION - MODEL-CALCULATIONS FOR THE LYSOZYME-GD3+ COMPLEX. PROTEINS-STRUCTURE FUNCTION AND GENETICS. 1991 January; 10: 117-129. eScholarID:1a7059
• LIAN, LY; YANG, JC; DERRICK, JP; SUTCLIFFE, MJ; ROBERTS, GCK; MURPHY, JP; GOWARD, CR; ATKINSON, T. SEQUENTIAL H-1-NMR ASSIGNMENTS AND SECONDARY STRUCTURE OF AN IGG-BINDING DOMAIN FROM PROTEIN-G. BIOCHEMISTRY. 1991 June; 30: 5335-5340. eScholarID:1a7058
• OSWALD, RE; SUTCLIFFE, MJ; BAMBERGER, M; LORING, RH; BRASWELL, E; DOBSON, CM. SOLUTION STRUCTURE OF NEURONAL BUNGAROTOXIN DETERMINED BY 2-DIMENSIONAL NMR-SPECTROSCOPY - SEQUENCE-SPECIFIC ASSIGNMENTS, SECONDARY STRUCTURE, AND DIMER FORMATION. BIOCHEMISTRY. 1991 May; 30: 4901-4909. eScholarID:1a7060

1990

• JOHNSON, MS; SUTCLIFFE, MJ; BLUNDELL, TL. MOLECULAR ANATOMY - PHYLETIC RELATIONSHIPS DERIVED FROM 3-DIMENSIONAL STRUCTURES OF PROTEINS. JOURNAL OF MOLECULAR EVOLUTION. 1990 January; 30: 43-59. eScholarID:1a7063
• OSWALD, RE; BAMBERGER, M; SUTCLIFFE, M; LORING, RH; ZIGMOND, RE; DOBSON, CM. SOLUTION STRUCTURE OF NEURONAL BUNGAROTOXIN. BIOPHYSICAL JOURNAL. 1990 February; 57: A420-A420. eScholarID:1a7062

1989

• Sutcliffe, MJ. Knowledge-based protein modelling. In: Bolognesi, M, ed. Protein Engineering, Crystallography and Computer Graphics. Brescia, Italy, Clas International.1989: eScholarID:101553
• Blundell, T; Carney, D; Hubbard, T; Johnson, M; McLeod, A; Overington, JP; Sali, A; Sutcliffe, M; Thomas, P. Knowledge-based protein modelling and design. In: Bloecker, H; Collins, J; Schmid, RD; Schomburg, D, ed. GBF Monographs. London, UK, VCH.1989: eScholarID:101555
• BLUNDELL, TL; ELLIOTT, G; GARDNER, SP; HUBBARD, T; ISLAM, S; JOHNSON, M; MANTAFOUNIS, D; MURRAYRUST, P; OVERINGTON, J; PITTS, JE; SALI, A; SIBANDA, BL; SINGH, J; STERNBERG, MJE; SUTCLIFFE, MJ; THORNTON, JM; TRAVERS, P. PROTEIN ENGINEERING AND DESIGN. PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES B-BIOLOGICAL SCIENCES. 1989 August; 324: 447-460. eScholarID:1a7064

1988

• BLUNDELL, T; CARNEY, D; GARDNER, S; HAYES, F; HOWLIN, B; HUBBARD, T; OVERINGTON, J; SINGH, DA; SIBANDA, BL; SUTCLIFFE, M. 18TH KREBS,HANS LECTURE - KNOWLEDGE-BASED PROTEIN MODELING AND DESIGN. EUROPEAN JOURNAL OF BIOCHEMISTRY. 1988 March; 172: 513-520. eScholarID:1a7065

1987

• SUTCLIFFE, MJ; HANEEF, I; CARNEY, D; BLUNDELL, TL. KNOWLEDGE BASED MODELING OF HOMOLOGOUS PROTEINS .1. 3-DIMENSIONAL FRAMEWORKS DERIVED FROM THE SIMULTANEOUS SUPERPOSITION OF MULTIPLE STRUCTURES. PROTEIN ENGINEERING. 1987; 1: 377-384. eScholarID:1a7066
• SUTCLIFFE, MJ; HAYES, FRF; BLUNDELL, TL. KNOWLEDGE BASED MODELING OF HOMOLOGOUS PROTEINS .2. RULES FOR THE CONFORMATIONS OF SUBSTITUTED SIDE-CHAINS. PROTEIN ENGINEERING. 1987; 1: 385-392. eScholarID:1a7067

1986

• HANEEF, I; SUTCLIFFE, MJ. A ROBUST METHOD FOR THE SUPERPOSITION OF MANY PROTEIN STRUCTURES AND ITS APPLICATION TO COMPARATIVE MODEL BUILDING. INF. QUART. PROTEIN CRYSTALLOGRAPHY. 1986; 18: 11-18. eScholarID:101515