Laboratory of Molecular Biophysics Laboratory Journal 2000 Publications

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Publications

The nicotonic acetylcholine receptor: from molecular model to single channel conductance
C.ADCOCK, G.R. SMITH & M.S.P. SANSOM (2000)
Eur.Biophys.J. 29: 29-37

Interfacing cell line screening and structural biology in drug discovery: The identification of a novel class of antiproliferative cyclin dependent kinase inhibitors with distinct molecular interactions and tumor cell growth inhibition profiles
C.E. ARRIS, F.T. BOYLE, A.H. CALVERT, N.J. CURTIN, J.A. ENDICOTT, E.F. GARMAN, A.E. GIBSON, B.T. GOLDING, S. GRANT, R.J. GRIFFIN, P. JEWSBURY, L.N. JOHNSON, A.M. LAWRIE, D.R. NEWELL, M.E.. NOBLE, E.A. SAUSVILLE, R. SCHULTZ & W. YU
J. Med. Chem. 43: 2797-2804

Human glucose-6-phosphate dehydrogenase: the crystal structure reveals a structural NADP+ molecule and provides insights into enzyme deficiency
S.W.N. AU, S. GOVER, V.M.S.LAM & M.J. ADAMS (2000)
Structure 2000, 8, 293-303

Protonation of lysine residues inverts cations/anion selectivity in a model channel
V. BORISENKO, M.S.P. SANSOM & C.A. WOOLLEY (2000)
Biophys.J. 78, 1335-1348

Mutations at critical N-glycosylation sites reduce tyrosinase activity by altering folding and quality control
N. BRANZA-NICHITA, G. NEGROIU A.J. PETRESCU, E.F. GARMAN, F.M. PLATT, M.R. WORMALD, R.A. DWEK & S.M. PETRESCU (2000)
Journ. Biol. Chem., 275, 8169-8175

Functional and structural differences between the prion protein from two alleles prnp^a and prmp^b of mouse
D.R. BROWN, I.K. IORDANOVA, B-S WONG, C. VÉNIEN-BRYAN, F. HAFIZ, L.L GLASSMITH, M-S SY, P. GAMBETTI, I. JONES, C. CLIVE & S.J. HASWELL (2000)
Eur.J. Biochem, 267, 2452-2459

The structural basis for specificity of substrate and recruitment peptides for cyclin-dependent kinases
N.R. BROWN, M.E.M. NOBLE, J.A. ENDICOTT & L.N. JOHNSON (1999)
Nature Cell Biology 1, 438-443

Homology modelling and simulation of an inward rcctifier potassium channel
C.E. CAPENER, I.H. SHRIVASTAVA, K.M. RANATUNGA, L.R. FORREST, G.R. SMITH & M.S.P. SANSOM (2000)
Biophys.J. 78, 2929-2942

Computer modelling and simulation studies of a human inwardly rectifying potassium channel Kir6.2
C.E. CAPENER & M.S.P. SANSOM (2000)
J. Physiol. 525P:79P

Cyclin-dependent kinases: inhibition and substrate recognition
J.A. ENDICOTT, M.E.M. NOBLE & J.A. TUCKER (1999)
Current.Opin.Struct.Biol. 9, 738-744

Transmembrane peptide NB of influenza B: a simulation, structure and conductance study
W.B. FISCHER, M. PITKEATHLY, B.A. WALLACE, L.R. FORREST, G.R. SMITH & M.S.P. SANSOM (2000)
Biochemistry 39, 12709-12716

Transmembrane domains of viral ion channel proteins: a molecular dynamics simulation study
W.B. FISCHER, L.R. FORREST, G.R. SMITH & M.S.P. SANSOM (2000)
Biopolymers 53, 529-538

Membrane simulations: bigger and better?
L.R. FORREST & M.S.P. SANSOM (2000)
Curr.Opin.Struct.Biol. 10: 174-181

Exploring models of the influenza A M2 channel: MD simulations in a lipid bilayer
L.R. FORREST, A. KUKOL, I.T. ARKIN, D.P. TIELEMAN & M.S.P. SANSOM (2000)
Biophys.J. 78, 55-69

Leaving no element of doubt: analysis of proteins using microPIXE
E. GARMAN (1999)
Structure, 7, R291-299

Structure of human transthyretin complexed with bromophenols: a new mode of binding.
M. GHOSH, I.A.T.M. MEERTS, A. COOK, A. BERGMAN, A., BROUWER, & L.N. JOHNSON (2000)
Acta Cryst. D56, 1085-1095

Recent biomedical applications of the Oxford Scanning Proton Microprobe
G.W. GRIME, E. PALSGARD, E.F. GARMAN, M. UGARTE, D. POTTAGE & P. WYETH (1999)
International Journal of PIXE, 9, 199-216

Computer prediction of transporter topology and structure
R. HONG & M.S.P. SANSOM (2000)
Membrane Transport - A Practical Approach (ed. S.A. Baldwin) OUP. 209-228

Conformational analysis of substrates bound to phosphorylase and phosphorylase kinase.
L.N. JOHNSON, K.A. WATSON, M.E.M. NOBLE,& E.D. LOWE (1999).
In Perspectives in Structural Biology; a volume in honour of G. N. Ramachandran. M. Vijayan, N. Yahindra & A. S. Kolaskar (eds). Universities Press (India) Hyderabad. pp 335-354.

Signal transduction proteins: structural basis of control by phosphorylation.
L.N. JOHNSON, M.E.M. NOBLE, D. BARFORD, N.R. BROWN, J.A. ENDICOTT, A. LAWRIE, &
D.J. OWEN (1999)
Journ. Chem. Soc. Pak. 21, 185-202

Limitations in Macromolecular crystallography due to radiation damage
P. KUHN, E. GARMAN, S. M. SOLTIS (1999)
Synchrotron Radiation Instrumentation, Proceedings of the 11^th US National Conference, SLAC
Editors: P. Pianetta, J. Arthur, S. Brennan
ISBN 1-56396-941-6, 215-218

Simulation studies of the interaction of antimicrobial peptides and lipid bilayers
P. LA ROCCA, P.C. BIGGIN, D.P. TIELEMAN & M.S.P. SANSOM (2000)
Biochim.Acta 1462, 185-200

Molecular modelling of human and C.elegans TW1K potassium channels
R. LAW, G. BARTLETT & M.S.P. SANSOM (2000)
J.Physiol. 525P:80P

Structure and dynamics of the pore-lining helix of the nicotinic receptor:- MD simulations in water, lipid-bilayrs and transbilayer bundles
R.J. LAW, L.R. FORREST, K.M. RANATUNGA, P. LA ROCCA, D.P. TIELMAN & M.S.P. SANSOM (2000)
Struct.Func.Genet, 39, 47-55

Crystallization and preliminary X-ray diffraction analysis of a biologically active fragment of CD55
S. LEA, R. POWELL & D. EVANS (1999)
Acta Cryst D55, 1198-1200

Cyclin-dependent kinase inhibition by new C-2 alkynylated purine derivatives and molecular structure of CDK2-inhibitor complex
M. LEGRAVEREND, P. TUNNAH, M. NOBLE, P. DUCROT, O. LUDWIG, D.S. GRIERSON, M. LEOST, L. MEIJER & J.A. ENDICOTT (2000)
J.Med.Chem, 43 (7), 1282-1292

Synchrotron radiation diffraction from two-dimensional protein crystals at the air/water interface
P-F LENNE, B. BERGE, A. RENAULT, C. ZAKRI, C. VÉNIEN-BRYAN, S. COURTY, F. BALAVOINE, O. KONOVALOV, A. BRISSON, G. GÜBEL & J-F LEGRAND (2000)
Biophysics. J. 79, 496-500

A new allosteric site in glycogen phosphorylase b as a target for drug interactions
N.G. OIKONOMAKOS, V.T. SKAMNAKI, K.A. TSITSANOU, N.G. GAVALOS, & L.N. JOHNSON (2000)
Structure 8, 575-584

Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site
N.G. OIKONOMAKOS, J.B. SCHNIERT, S.E. ZOGRAPHOS, V.T. SKAMNAKI, K.E. TSITSANOU & L.N. JOHNSON (2000)
The Journal of Biological Chemistry, 275, 34566-34575

Computational studies on a homology model of the Shaker K⁺ channel pore
K.M. RANATUNGA, G.R. SMITH & M.S.P. SANSOM (2000)
J.Physiol. 525, 86

Molecular dynamics of synthetic leucine-serine ion channels in a phospholipid membrane
H.S. RANDA, L.R. FORREST, G.A. VOTH & M.S.P. SANSOM (1999)
Biophys.J. 77, 2400-2410

Surface polymerization of actin induced on lipid monolayer
A.RENAULT, P.F. LENNE, C. ZAKRI, A. ARADIAN, C. VÉNIEN-BRYAN & F. AMBLARD (1999)
Biophys.J. 76, 1580-1590

Simulations of ion channels - watching ions and water move
M.S.P. SANSOM, I.H. SHRIVASTAVA, K.M. RANATUNGA & G.R. SMITH (2000)
TiBS 25, 368-374

Modelling transmembrane helix bundles by restrained MD simulations
M.S.P. SANSOM & L. DAVISON (2000)
Protein Structure Prediction: Methods and Protocols, Methods in Molecular Biology, 143, (ed.D.M. Webster), Humana Press

Potassium channels: Putting the parts together
M.S.P. SANSOM (1999)
Curr.Biol. 9, R738-741

Hydrophobicity plots
M.S.P. SANSOM (2000)
Encyclopedia of Life Sciences (publ. Macmillan).

Potassium channels: Watching a voltage-sensor tilt and twist
M.S.P. SANSOM (2000)
Curr.Biol. 10, R206-209

The mechanism of channel formation by alamethicin as viewed by molecular dynamics simulations
M.S.P. SANSOM, D.P. TIELEMAN & H.J.C. BERENDSEN (1999)
Novartis Foundation Symp. 225, 128-145

Hinges, swivels & switches: the role of prolines in signalling via transmembrane -helices.
M.S.P. SANSOM & H. WEINSTEIN (2000)
TIPS 21: 445-451

Molecular contacts in the transmembrane c-subunit oligomer of F-ATPases identified by Tryptophan substitution mutagenesis.
C.SHICK, L.R. FORREST, M.S.P. SANSOM & G. GROTH (2000)
Biochim.Biophys.Acta (in press)

Simulations of ion permeation through a potassium channel: molecular dynamics of KcsA in a phospholipid bilayer
I.H. SHRIVASTAVA & M.S.P. SANSOM (2000)
Biophysics J. 78, 557-570

Structure and dynamics of K channel pore-lining helices: a comparative simulation study
I.SHRIVASTAVA, C. CAPENER, L.R. FORREST & M.S.P. SANSOM (2000)
Biophys. J. 78, 79-92

Structure of arylamine N-acetyltransferase reveals a catalytic triad
J.C. SINCLAIR, J. SANDY, R. DELGODA, E. SIM & M.E. NOBLE (2000)
Nature Struct. Biol. 7, 560-4

Simulation of the packing of idealised transmembrane -helix bundles
H.S. SON & M.S.P. SANSOM (1999)
Eur.J.Biophys. 28, 489-498

Simulation studies on bacteriorhodopsin -helices
H..S. SON & M.S.P. SANSOM (2000)
Eur.Biophys.J. 28, 674-682

Simulation studies on bacteriorhodpsin bundle of transmembrane -segments
H.S. SON, I.D. KERR & M.S.P. SANSOM (2000)
Eur.Biophys.J. 28, 663-673

An anion-selective analogue of the channel-forming peptide alamethicin.
A.V. STAROSTIN, R. BUTAN, R., V. BORISENKO, D.A. JAMES, H. WENSCHUH, M.S.P. SANSOM, G.A. WOOLLEY (1999)
Biochem. 38:6144-6150

Surface binding of alamethicin stabilises its helical structure: molecular dynamics simulations.
D.P. TIELEMAN, H.J.C BERENDSEN AND M.S.P. SANSOM (1999)
Biophys. J. 76:3186-3191

Voltage-dependent insertion of alamethicin at phospholipid/water and octane/water interfaces
D.P. TIELEMAN, H.J.C BERENDSEN, AND M.S.P. SANSOM (2000)
Biophys. J. (in press)

Salt shock-inducible photosystem I cyclic electron transfer in Synechocystis PCC6803 relies on binding of ferredoxin:NADP(+) reductase to the thylakoid membranes via its CpcD phycobilisome-linker homologous N-terminal domain.
J.J. VAN THOR, R.JEANJEAN, M. HAVAUX , K.A. SJOLLEMA. F. JOSET K.J. HELLINGWERF, H.C. MATTHIJS (2000)
Biochim Biophys Acta 1457, 129-144

Localization and function of ferredoxin:NADP(+) reductase bound to the phycobilisomes of Synechocystis.
J.J. VAN THOR, O.W. GRUTERS , H.C. MATTHIJS, K.J. HELLINGWERF (1999)
EMBO J 18, 4128-4136

Kinetic evidence for the PsaE-dependent transient ternary complex photosystem I / Ferredoxin / Ferredoxin:NADP(+) reductase in a cyanobacterium.
J.J. VAN THOR, T.H. GEERLINGS, H.C. MATTHIJS ,K.J. HELLINGWERF (1999)
Biochemistry 38, 12735-12746

Projection structure of a transcriptional regulator, HupR, determined by electron cryo-microscopy
C. VÉNIEN-BRYAN, G.F.X. SCHERTLER, E. THOUVENIN & S. COURTY (2000)

Engineering charge selectivity in alamethicin channels
G.A. WOOLLEY, A.V. STAROSTIN, R. BUTAN, D.A. JAMES, H. WENSCHUH & M.S.P. SANSOM (1999)
Novartis Foundation Symp. 225, 128-145

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