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1AV3
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BU of 1av3 by Molmil
POTASSIUM CHANNEL BLOCKER KAPPA CONOTOXIN PVIIA FROM C. PURPURASCENS, NMR, 20 STRUCTURES
Descriptor: Kappa-conotoxin 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:2020-12-16
Method:SOLUTION NMR
Cite:Solution structure and proposed binding mechanism of a novel potassium channel toxin kappa-conotoxin PVIIA.
Structure, 5, 1997
1CE3
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BU of 1ce3 by Molmil
PUTATIVE ANCESTRAL PROTEIN ENCODED BY A SINGLE SEQUENCE REPEAT OF THE MULTIDOMAIN PROTEINASE INHIBITOR FROM NICOTIANA ALATA
Descriptor: API
Authors:Scanlon, M.J, Lee, M.C.S, Anderson, M.A, Craik, D.J.
Deposit date:1999-03-14
Release date:1999-03-27
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structure of a putative ancestral protein encoded by a single sequence repeat from a multidomain proteinase inhibitor gene from Nicotiana alata.
Structure Fold.Des., 7, 1999
1RPV
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BU of 1rpv by Molmil
HIV-1 REV PROTEIN (RESIDUES 34-50)
Descriptor: HIV-1 REV PROTEIN
Authors:Scanlon, M.J, Fairlie, D.P, Craik, D.J, Englebretsen, D.R, West, M.L.
Deposit date:1995-05-04
Release date:1995-10-15
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:NMR solution structure of the RNA-binding peptide from human immunodeficiency virus (type 1) Rev.
Biochemistry, 34, 1995
6DO6
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BU of 6do6 by Molmil
NMR solution structure of wild type apo hFABP1 at 308 K
Descriptor: Fatty acid-binding protein, liver
Authors:Scanlon, M.J, Mohanty, B, Doak, B.C, Patil, R.
Deposit date:2018-06-09
Release date:2018-12-26
Last modified:2020-01-01
Method:SOLUTION NMR
Cite:A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists.
J. Biol. Chem., 294, 2019
6DRG
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BU of 6drg by Molmil
NMR solution structure of wild type hFABP1 with GW7647
Descriptor: 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid, Fatty acid-binding protein, liver
Authors:Scanlon, M.J, Mohanty, B, Doak, B.C, Patil, R.
Deposit date:2018-06-11
Release date:2018-12-26
Last modified:2020-01-01
Method:SOLUTION NMR
Cite:A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists.
J. Biol. Chem., 294, 2019
6DO7
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BU of 6do7 by Molmil
NMR solution structure of wild type hFABP1 with GW7647
Descriptor: Fatty acid-binding protein, liver
Authors:Scanlon, M.J, Mohanty, B, Doak, B.C, Patil, R.
Deposit date:2018-06-09
Release date:2019-01-02
Last modified:2020-01-01
Method:SOLUTION NMR
Cite:A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists.
J. Biol. Chem., 294, 2019
1APF
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BU of 1apf by Molmil
ANTHOPLEURIN-B, NMR, 20 STRUCTURES
Descriptor: ANTHOPLEURIN-B
Authors:Monks, S.A, Pallaghy, P.K, Scanlon, M.J, Norton, R.S.
Deposit date:1995-05-30
Release date:1996-07-11
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of the cardiostimulant polypeptide anthopleurin-B and comparison with anthopleurin-A.
Structure, 3, 1995
1AHL
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BU of 1ahl by Molmil
ANTHOPLEURIN-A,NMR, 20 STRUCTURES
Descriptor: ANTHOPLEURIN-A
Authors:Pallaghy, P.K, Scanlon, M.J, Monks, S.A, Norton, R.S.
Deposit date:1994-10-28
Release date:1995-11-14
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Three-dimensional structure in solution of the polypeptide cardiac stimulant anthopleurin-A.
Biochemistry, 34, 1995
4WET
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BU of 4wet by Molmil
Crystal structure of E.Coli DsbA in complex with compound 16
Descriptor: 1,2-ETHANEDIOL, N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-tyrosine, SODIUM ION, ...
Authors:Ilyichova, O.V, Scanlon, M.J.
Deposit date:2014-09-11
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA.
Angew.Chem.Int.Ed.Engl., 54, 2015
4WF5
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BU of 4wf5 by Molmil
Crystal structure of E.Coli DsbA soaked with compound 4
Descriptor: 1,2-ETHANEDIOL, 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid, COPPER (II) ION, ...
Authors:Adams, L.A, Sharma, P, Mohanty, B, Ilyichova, O.V, Mulcair, M.D, Williams, M.L, Gleeson, E.C, Totsika, M, Doak, B.C, Caria, S, Rimmer, K, Shouldice, S.R, Vazirani, M, Headey, S.J, Plumb, B.R, Martin, J.L, Heras, B, Simpson, J.S, Scanlon, M.J.
Deposit date:2014-09-12
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA.
Angew.Chem.Int.Ed.Engl., 54, 2015
4WEY
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BU of 4wey by Molmil
Crystal structure of E.Coli DsbA in complex with compound 17
Descriptor: 1,2-ETHANEDIOL, N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-serine, Thiol:disulfide interchange protein
Authors:Adams, L.A, Sharma, P, Mohanty, B, Ilyichova, O.V, Mulcair, M.D, Williams, M.L, Gleeson, E.C, Totsika, M, Doak, B.C, Caria, S, Rimmer, K, Shouldice, S.R, Vazirani, M, Headey, S.J, Plumb, B.R, Martin, J.L, Heras, B, Simpson, J.S, Scanlon, M.J.
Deposit date:2014-09-11
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA.
Angew.Chem.Int.Ed.Engl., 54, 2015
3OVN
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BU of 3ovn by Molmil
Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase
Descriptor: 1-methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine, CADMIUM ION, POL polyprotein, ...
Authors:Wielens, J, Chalmers, D.K, Headey, S.J, Deadman, J.J, Rhodes, D.K, Parker, M.W, Scanlon, M.J.
Deposit date:2010-09-16
Release date:2011-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1
Chemmedchem, 6, 2011
2A05
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BU of 2a05 by Molmil
The cysteine-rich secretory protein domain of Tpx-1 is related to ion channel toxins and regulates Ryanodine receptor Ca2+ signaling
Descriptor: Cysteine-rich secretory protein-2
Authors:Gibbs, G.M, Scanlon, M.J, Swarbrick, J, Curtis, S, Dulhunty, A.F, O'Bryan, M.K.
Deposit date:2005-06-15
Release date:2006-01-17
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:The cysteine-rich secretory protein domain of Tpx-1 is related to ion channel toxins and regulates ryanodine receptor Ca2+ signaling.
J.Biol.Chem., 281, 2006
1HX2
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BU of 1hx2 by Molmil
SOLUTION STRUCTURE OF BSTI, A TRYPSIN INHIBITOR FROM BOMBINA BOMBINA.
Descriptor: BSTI
Authors:Rosengren, K.J, Daly, N.L, Scanlon, M.J, Craik, D.J.
Deposit date:2001-01-11
Release date:2001-01-24
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of BSTI: a new trypsin inhibitor from skin secretions of Bombina bombina.
Biochemistry, 40, 2001
1LDL
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BU of 1ldl by Molmil
THREE-DIMENSIONAL STRUCTURE OF A CYSTEINE-RICH REPEAT FROM THE LOW-DENSITY LIPOPROTEIN RECEPTOR
Descriptor: LOW-DENSITY LIPOPROTEIN RECEPTOR
Authors:Daly, N.L, Scanlon, M.J, Kroon, P.A, Smith, R.
Deposit date:1995-03-20
Release date:1996-03-08
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Three-dimensional structure of a cysteine-rich repeat from the low-density lipoprotein receptor.
Proc.Natl.Acad.Sci.USA, 92, 1995
6BR4
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BU of 6br4 by Molmil
Crystal structure of Escherichia coli DsbA in complex with {N}-methyl-1-(3-thiophen-2-ylphenyl)methanamine
Descriptor: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, ~{N}-methyl-1-(3-thiophen-2-ylphenyl)methanamine
Authors:Heras, B, Totsika, M, Paxman, J.J, Wang, G, Scanlon, M.J, Martin, J.L.
Deposit date:2017-11-29
Release date:2017-12-27
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Inhibition of Diverse DsbA Enzymes in Multi-DsbA Encoding Pathogens.
Antioxid. Redox Signal., 29, 2018
2IJY
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BU of 2ijy by Molmil
NMR structure ensemble for the reduced DsbA disulphide oxidoreductase from Vibrio Cholerae
Descriptor: Thiol:disulfide interchange protein dsbA
Authors:Horne, J.H, Velkov, T, Scanlon, M.J.
Deposit date:2006-10-02
Release date:2007-07-17
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Probing the Flexibility of the DsbA Oxidoreductase from Vibrio cholerae-a (15)N - (1)H Heteronuclear NMR Relaxation Analysis of Oxidized and Reduced Forms of DsbA.
J.Mol.Biol., 371, 2007
2JWD
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BU of 2jwd by Molmil
protein A
Descriptor: Immunoglobulin G-binding protein A
Authors:Robertson, A, Horne, J, Scanlon, M.J, Bottomley, S.P.
Deposit date:2007-10-09
Release date:2008-10-21
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:Polyglutamine length-dependent midfolding is confined to the Poly-Q region
To be Published
6BQX
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BU of 6bqx by Molmil
Crystal structure of Escherichia coli DsbA in complex with N-methyl-1-(4-phenoxyphenyl)methanamine
Descriptor: N-methyl-1-(4-phenoxyphenyl)methanamine, Thiol:disulfide interchange protein DsbA
Authors:Heras, B, Totsika, M, Paxman, J.J, Wang, G, Scanlon, M.J.
Deposit date:2017-11-29
Release date:2017-12-27
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Inhibition of Diverse DsbA Enzymes in Multi-DsbA Encoding Pathogens.
Antioxid. Redox Signal., 29, 2018
1FYB
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BU of 1fyb by Molmil
SOLUTION STRUCTURE OF C1-T1, A TWO-DOMAIN PROTEINASE INHIBITOR DERIVED FROM THE CIRCULAR PRECURSOR PROTEIN NA-PROPI FROM NICOTIANA ALATA
Descriptor: PROTEINASE INHIBITOR
Authors:Craik, D.J, Schirra, H.J, Scanlon, M.J, Anderson, M.A.
Deposit date:2000-09-28
Release date:2001-02-21
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:The solution structure of C1-T1, a two-domain proteinase inhibitor derived from a circular precursor protein from Nicotiana alata.
J.Mol.Biol., 306, 2001
3L3V
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BU of 3l3v by Molmil
Structure of HIV-1 integrase core domain in complex with sucrose
Descriptor: CADMIUM ION, POL polyprotein, SULFATE ION, ...
Authors:Wielens, J, Chalmers, D.K, Scanlon, M.J, Parker, M.W.
Deposit date:2009-12-18
Release date:2010-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the HIV-1 integrase core domain in complex with sucrose reveals details of an allosteric inhibitory binding site
Febs Lett., 584, 2010
3L3U
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BU of 3l3u by Molmil
Crystal structure of the HIV-1 integrase core domain to 1.4A
Descriptor: POL polyprotein, SULFATE ION
Authors:Wielens, J, Chalmers, D.K, Scanlon, M.J, Parker, M.W.
Deposit date:2009-12-17
Release date:2010-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the HIV-1 integrase core domain in complex with sucrose reveals details of an allosteric inhibitory binding site.
Febs Lett., 584, 2010
6VUB
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BU of 6vub by Molmil
Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 5 (1-methyl-4-phenylpyrrolidin-2-one)
Descriptor: (4R)-1-methyl-4-phenylpyrrolidin-2-one, Bromodomain-containing protein 4
Authors:Ilyichova, O.V, Scanlon, M.J, Thompson, P.E.
Deposit date:2020-02-14
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Substituted 1-methyl-4-phenylpyrrolidin-2-ones - Fragment-based design of N-methylpyrrolidone-derived bromodomain inhibitors.
Eur.J.Med.Chem., 191, 2020
6VUF
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BU of 6vuf by Molmil
Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 7h (4-(1-methyl-5-oxopyrrolidin-3-yl)-N-propylbenzenesulfonamide)
Descriptor: 4-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-N-propylbenzene-1-sulfonamide, Bromodomain-containing protein 4
Authors:Ilyichova, O.V, Scanlon, M.J, Thompson, P.E.
Deposit date:2020-02-15
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Substituted 1-methyl-4-phenylpyrrolidin-2-ones - Fragment-based design of N-methylpyrrolidone-derived bromodomain inhibitors.
Eur.J.Med.Chem., 191, 2020
1MR4
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BU of 1mr4 by Molmil
Solution Structure of NaD1 from Nicotiana alata
Descriptor: Nicotiana alata plant defensin 1 (NaD1)
Authors:Lay, F.T, Schirra, H.J, Scanlon, M.J, Anderson, M.A, Craik, D.J.
Deposit date:2002-09-18
Release date:2003-09-18
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:The Three-dimensional Solution Structure of NaD1, a New Floral Defensin from Nicotiana alata and its Application to a Homology Model of the Crop Defense Protein alfAFP
J.MOL.BIOL., 325, 2003

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