Author results

1D4K
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HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR
Descriptor:HIV-1 PROTEASE, SULFATE ION, N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE
Authors:Tyndall, J.D., Reid, R.C., Tyssen, D.P., Jardine, D.K., Todd, B., Passmore, M., March, D.R., Pattenden, L.K., Alewood, D., Hu, S.H., Alewood, P.F., Birch, C.J., Martin, J.L., Fairlie, D.P.
Deposit date:1999-10-04
Release date:2000-10-11
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Synthesis, stability, antiviral activity, and protease-bound structures of substrate-mimicking constrained macrocyclic inhibitors of HIV-1 protease.
J.Med.Chem., 43, 2000
1D4L
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HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR
Descriptor:HIV-1 PROTEASE, SULFATE ION, (10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENESULFONYL-1''-AMINO-3''-METHYLBUTYL)ETHYL]-8,11-DIOXO-10-ISOPROPYL-2-OXA-9,12-DIAZABICYCLO [13.2.2]NONADECA-15,17,18-TRIENE
Authors:Tyndall, J.D., Reid, R.C., Tyssen, D.P., Jardine, D.K., Todd, B., Passmore, M., March, D.R., Pattenden, L.K., Alewood, D., Hu, S.H., Alewood, P.F., Birch, C.J., Martin, J.L., Fairlie, D.P.
Deposit date:1999-10-04
Release date:2000-10-11
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Synthesis, stability, antiviral activity, and protease-bound structures of substrate-mimicking constrained macrocyclic inhibitors of HIV-1 protease.
J.Med.Chem., 43, 2000
3BXR
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CRYSTAL STRUCTURES OF HIGHLY CONSTRAINED SUBSTRATE AND HYDROLYSIS PRODUCTS BOUND TO HIV-1 PROTEASE. IMPLICATIONS FOR CATALYTIC MECHANISM
Descriptor:Protease, SULFATE ION, (9S,12S)-9-(1-methylethyl)-N-[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxamide
Authors:Tyndall, J.D., Pattenden, L.K., Reid, R.C., Hu, S.H., Alewood, D., Alewood, P.F., Walsh, T., Fairlie, D.P., Martin, J.L.
Deposit date:2008-01-14
Release date:2008-03-25
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structures of Highly Constrained Substrate and Hydrolysis Products Bound to HIV-1 Protease. Implications for the Catalytic Mechanism
Biochemistry, 47, 2008
3BXS
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CRYSTAL STRUCTURES OF HIGHLY CONSTRAINED SUBSTRATE AND HYDROLYSIS PRODUCTS BOUND TO HIV-1 PROTEASE. IMPLICATIONS FOR CATALYTIC MECHANISM
Descriptor:Protease, SULFATE ION, (9S,12S)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid
Authors:Tyndall, J.D., Pattenden, L.K., Reid, R.C., Hu, S.H., Alewood, D., Alewood, P.F., Walsh, T., Fairlie, D.P., Martin, J.L.
Deposit date:2008-01-14
Release date:2008-03-25
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structures of Highly Constrained Substrate and Hydrolysis Products Bound to HIV-1 Protease. Implications for the Catalytic Mechanism
Biochemistry, 47, 2008
1EYO
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SOLUTION STRUCTURE OF CONOTOXIN TVIIA FROM CONUS TULIPA
Descriptor:CONOTOXIN TVIIA
Authors:Hill, J.M., Alewood, P.F., Craik, D.J.
Deposit date:2000-05-07
Release date:2000-09-06
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Conotoxin TVIIA, a novel peptide from the venom of Conus tulipa 2. Three-dimensional solution structure.
Eur.J.Biochem., 267, 2000
1B6J
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HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 1
Descriptor:RETROPEPSIN, CYCLIC PEPTIDE INHIBITOR, SULFATE ION
Authors:Martin, J.L., Begun, J., Schindeler, A., Wickramasinghe, W.A., Alewood, D., Alewood, P.F., Bergman, D.A., Brinkworth, R.I., Abbenante, G., March, D.R., Reid, R.C., Fairlie, D.P.
Deposit date:1999-01-17
Release date:2000-01-07
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease.
Biochemistry, 38, 1999
1B6K
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HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 5
Descriptor:RETROPEPSIN, SULFATE ION, N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14- TRIEN-11-YLAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL)-PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN-1-YL)-BUTYRAMIDE
Authors:Martin, J.L., Begun, J., Schindeler, A., Wickramasinghe, W.A., Alewood, D., Alewood, P.F., Bergman, D.A., Brinkworth, R.I., Abbenante, G., March, D.R., Reid, R.C., Fairlie, D.P.
Deposit date:1999-01-17
Release date:2000-01-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease.
Biochemistry, 38, 1999
1B6L
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HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 4
Descriptor:RETROPEPSIN, SULFATE ION, 1-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14-TRIEN-11-YL)-2-HYDROXY-ETHYL]-PIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE
Authors:Martin, J.L., Begun, J., Schindeler, A., Wickramasinghe, W.A., Alewood, D., Alewood, P.F., Bergman, D.A., Brinkworth, R.I., Abbenante, G., March, D.R., Reid, R.C., Fairlie, D.P.
Deposit date:1999-01-17
Release date:2000-01-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease.
Biochemistry, 38, 1999
1B6M
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HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 6
Descriptor:RETROPEPSIN, SULFATE ION, [1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YLAMINO)-2-HYDROXY-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER
Authors:Martin, J.L., Begun, J., Schindeler, A., Wickramasinghe, W.A., Alewood, D., Alewood, P.F., Bergman, D.A., Brinkworth, R.I., Abbenante, G., March, D.R., Reid, R.C., Fairlie, D.P.
Deposit date:1999-01-17
Release date:2000-01-07
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease.
Biochemistry, 38, 1999
1B6P
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HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 7
Descriptor:RETROPEPSIN, SULFATE ION, N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL) -PROPYL]-3-METHYL-2-PROPIONYLAMINO-BUTYRAMIDE
Authors:Martin, J.L., Begun, J., Schindeler, A., Wickramasinghe, W.A., Alewood, D., Alewood, P.F., Bergman, D.A., Brinkworth, R.I., Abbenante, G., March, D.R., Reid, R.C., Fairlie, D.P.
Deposit date:1999-01-17
Release date:2000-01-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease.
Biochemistry, 38, 1999
1B8W
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DEFENSIN-LIKE PEPTIDE 1
Descriptor:PROTEIN (DEFENSIN-LIKE PEPTIDE 1)
Authors:Torres, A.M., Wang, X., Fletcher, J.I., Alewood, D., Alewood, P.F., Smith, R., Simpson, R.J., Nicholson, G.M., Sutherland, S.K., Gallagher, C.H., King, G.F., Kuchel, P.W.
Deposit date:1999-02-02
Release date:1999-09-15
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of a defensin-like peptide from platypus venom.
Biochem.J., 341, 1999
1QDP
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SOLUTION STRUCTURE OF ROBUSTOXIN, THE LETHAL NEUROTOXIN FROM THE FUNNEL WEB SPIDER ATRAX ROBUSTUS, NMR, 20 STRUCTURES
Descriptor:ROBUSTOXIN
Authors:Pallaghy, P.K., Alewood, D., Alewood, P.F., Norton, R.S.
Deposit date:1997-10-09
Release date:1998-01-14
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of robustoxin, the lethal neurotoxin from the funnel-web spider Atrax robustus.
FEBS Lett., 419, 1997
1Z1H
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HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 3
Descriptor:Pol polyprotein, SULFATE ION, N-{(2R)-2-HYDROXY-2-[(8S,11S)-8-ISOPROPYL-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE
Authors:Martin, J.L., Begun, J., Schindeler, A., Wickramasinghe, W.A., Alewood, D., Alewood, P.F., Bergman, D.A., Brinkworth, R.I., Abbenante, G., March, D.R., Reid, R.C., Fairlie, D.P.
Deposit date:2005-03-04
Release date:2005-03-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease
Biochemistry, 38, 1999
1Z1R
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HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 2
Descriptor:Pol polyprotein, SULFATE ION, 2-[(8S,11S)-11-{(1R)-1-HYDROXY-2-[ISOPENTYL(PHENYLSULFONYL)AMINO]ETHYL}-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-8-YL]ACETAMIDE
Authors:Martin, J.L., Begun, J., Schindeler, A., Wickramasinghe, W.A., Alewood, D., Alewood, P.F., Bergman, D.A., Brinkworth, R.I., Abbenante, G., March, D.R., Reid, R.C., Fairlie, D.P.
Deposit date:2005-03-06
Release date:2005-03-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease
Biochemistry, 38, 1999
1A0M
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1.1 ANGSTROM CRYSTAL STRUCTURE OF A-CONOTOXIN [TYR15]-EPI
Descriptor:ALPHA-CONOTOXIN [TYR15]-EPI
Authors:Hu, S.-H., Loughnan, M., Miller, R., Weeks, C.M., Blessing, R.H., Alewood, P.F., Lewis, R.J., Martin, J.L.
Deposit date:1997-12-03
Release date:1999-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The 1.1 A resolution crystal structure of [Tyr15]EpI, a novel alpha-conotoxin from Conus episcopatus, solved by direct methods.
Biochemistry, 37, 1998
1AG7
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CONOTOXIN GS, NMR, 20 STRUCTURES
Descriptor:CONOTOXIN GS
Authors:Hill, J.M., Alewood, P.F., Craik, D.J.
Deposit date:1997-04-03
Release date:1998-04-08
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of the sodium channel antagonist conotoxin GS: a new molecular caliper for probing sodium channel geometry.
Structure, 5, 1997
1AV3
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POTASSIUM CHANNEL BLOCKER KAPPA CONOTOXIN PVIIA FROM C. PURPURASCENS, NMR, 20 STRUCTURES
Descriptor:KAPPA-PVIIA
Authors:Scanlon, M.J., Naranjo, D., Thomas, L., Alewood, P.F., Lewis, R.J., Craik, D.J.
Deposit date:1997-09-24
Release date:1998-10-14
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure and proposed binding mechanism of a novel potassium channel toxin kappa-conotoxin PVIIA.
Structure, 5, 1997
1CNN
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OMEGA-CONOTOXIN MVIIC FROM CONUS MAGUS
Descriptor:OMEGA-CONOTOXIN MVIIC
Authors:Nielsen, K.J., Adams, D., Thomas, L., Bond, T., Alewood, P.F., Craik, D.J., Lewis, R.J.
Deposit date:1999-05-20
Release date:2000-05-31
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structure-activity relationships of omega-conotoxins MVIIA, MVIIC and 14 loop splice hybrids at N and P/Q-type calcium channels.
J.Mol.Biol., 289, 1999
1GIB
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MU-CONOTOXIN GIIIB, NMR
Descriptor:MU-CONOTOXIN GIIIB
Authors:Hill, J.M., Alewood, P.F., Craik, D.J.
Deposit date:1996-04-17
Release date:1996-11-08
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Three-dimensional solution structure of mu-conotoxin GIIIB, a specific blocker of skeletal muscle sodium channels.
Biochemistry, 35, 1996
1IEN
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SOLUTION STRUCTURE OF TIA
Descriptor:PROTEIN TIA
Authors:Sharpe, I.A., Gehrmann, J., Loughnan, M.L., Thomas, L., Adams, D.A., Atkins, A., Palant, E., Craik, D.J., Adams, D.J., Alewood, P.F., Lewis, R.J.
Deposit date:2001-04-10
Release date:2002-04-03
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Two new classes of conopeptides inhibit the alpha1-adrenoceptor and noradrenaline transporter.
Nat.Neurosci., 4, 2001
1IEO
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SOLUTION STRUCTURE OF MRIB-NH2
Descriptor:PROTEIN MRIB-NH2
Authors:Sharpe, I.A., Gehrmann, J., Loughnan, M.L., Thomas, L., Adams, D.A., Atkins, A., Palant, E., Craik, D.J., Adams, D.J., Alewood, P.F., Lewis, R.J.
Deposit date:2001-04-10
Release date:2002-04-03
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Two new classes of conopeptides inhibit the alpha1-adrenoceptor and noradrenaline transporter.
Nat.Neurosci., 4, 2001
1KQH
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NMR SOLUTION STRUCTURE OF THE CIS PRO30 ISOMER OF ACTX-HI:OB4219
Descriptor:ACTX-Hi:OB4219
Authors:Rosengren, K.J., Wilson, D., Daly, N.L., Alewood, P.F., Craik, D.J.
Deposit date:2002-01-05
Release date:2002-02-06
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structures of the cis- and trans-Pro30 isomers of a novel 38-residue toxin from the venom of Hadronyche Infensa sp. that contains a cystine-knot motif within its four disulfide bonds
Biochemistry, 41, 2002
1KQI
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NMR SOLUTION STRUCTURE OF THE TRANS PRO30 ISOMER OF ACTX-HI:OB4219
Descriptor:ACTX-Hi:OB4219
Authors:Rosengren, K.J., Wilson, D., Daly, N.L., Alewood, P.F., Craik, D.J.
Deposit date:2002-01-06
Release date:2002-02-06
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structures of the cis- and trans-Pro30 isomers of a novel 38-residue toxin from the venom of Hadronyche Infensa sp. that contains a cystine-knot motif within its four disulfide bonds
Biochemistry, 41, 2002
1MII
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SOLUTION STRUCTURE OF ALPHA-CONOTOXIN MII
Descriptor:PROTEIN (ALPHA CONOTOXIN MII)
Authors:Hill, J.M., Oomen, C.J., Miranda, L.P., Bingham, J.P., Alewood, P.F., Craik, D.J.
Deposit date:1998-10-05
Release date:1998-10-21
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Three-dimensional solution structure of alpha-conotoxin MII by NMR spectroscopy: effects of solution environment on helicity.
Biochemistry, 37, 1998
1MTQ
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THREE-DIMENSIONAL SOLUTION STRUCTURE OF ALPHA-CONOTOXIN GID BY NMR SPECTROSCOPY
Descriptor:alpha-conotoxin GID
Authors:Nicke, A., Loughnan, M.L., Millard, E.L., Alewood, P.F., Adams, D.J., Daly, N.L., Craik, D.J., Lewis, R.J.
Deposit date:2002-09-22
Release date:2003-02-11
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Isolation, Structure, and Activity of GID, a Novel alpha 4/7-Conotoxin with an Extended N-terminal Sequence
J.BIOL.CHEM., 278, 2003
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