Author results

2XA5
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STRUCTURE OF SUBSTRATE BINDING PROTEIN SIAP (A11N) IN COMPLEX WITH NEU5AC
Descriptor:SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP, 5-N-ACETYL-BETA-D-NEURAMINIC ACID
Authors:Fischer, M., Hubbard, R.E.
Deposit date:2010-03-26
Release date:2011-04-06
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Water networks can determine the affinity of ligand binding to proteins.
J.Am.Chem.Soc., 2019
2XFD
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VCBM60 IN COMPLEX WITH CELLOBIOSE
Descriptor:CARBOHYDRATE BINDING MODULE, CALCIUM ION, CELLOBIOSE, ...
Authors:Montanier, C., Flint, J.E., Bolam, D.N., Xie, H., Liu, Z., Rogowski, A., Weiner, D.P., Nurizzo, D., Roberts, S.M., Turkenburg, J.P., Davies, G.J., Gilbert, H.J.
Deposit date:2010-05-21
Release date:2010-06-16
Last modified:2012-08-15
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Circular Permutation Provides an Evolutionary Link between Two Families of Calcium-Dependent Carbohydrate Binding Modules.
J.Biol.Chem., 285, 2010
4C7I
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LEISMANIA MAJOR N-MYRISTOYLTRANSFERASE IN COMPLEX WITH A PEPTIDOMIMETIC (-OH) MOLECULE
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA, MAGNESIUM ION, ...
Authors:Olaleye, T.O., Brannigan, J.A., Goncalves, V., Roberts, S.M., Leatherbarrow, R.J., Wilkinson, A.J., Tate, E.W.
Deposit date:2013-09-20
Release date:2014-09-24
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Peptidomimetic Inhibitors of N-Myristoyltransferase from Human Malaria and Leishmaniasis Parasites.
Org.Biomol.Chem., 12, 2014
4CGO
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LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE IN COMPLEX WITH A THIENOPYRIMIDINE INHIBITOR
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, TETRADECANOYL-COA, ...
Authors:Brannigan, J.A., Roberts, S.M., Bell, A.S., Hutton, J.A., Smith, D.F., Tate, E.W., Leatherbarrow, R.J., Wilkinson, A.J.
Deposit date:2013-11-25
Release date:2014-07-09
Last modified:2014-08-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors
Iucrj, 1, 2014
2WX9
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CRYSTAL STRUCTURE OF THE SIALIC ACID BINDING PERIPLASMIC PROTEIN SIAP
Descriptor:SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP, N-Glycolylneuraminic acid
Authors:Fischer, M., Hubbard, R.E.
Deposit date:2009-11-05
Release date:2011-01-26
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Water networks can determine the affinity of ligand binding to proteins.
J.Am.Chem.Soc., 2019
4C68
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PLASMODIUM VIVAX N-MYRISTOYLTRANSFERASE IN COMPLEX WITH A PEPTIDOMIMETIC INHIBITOR
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, FORMIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Olaleye, T.O., Brannigan, J.A., Goncalves, V., Roberts, S.M., Leatherbarrow, R.J., Wilkinson, A.J., Tate, E.W.
Deposit date:2013-09-17
Release date:2014-09-24
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Peptidomimetic Inhibitors of N-Myristoyltransferase from Human Malaria and Leishmaniasis Parasites.
Org.Biomol.Chem., 12, 2014
2WHL
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UNDERSTANDING HOW DIVERSE MANNANASES RECOGNISE HETEROGENEOUS SUBSTRATES
Descriptor:BETA-MANNANASE, ACETATE ION, ALPHA-D-MANNOSE, ...
Authors:Tailford, L.E., Ducros, V.M.A., Flint, J.E., Roberts, S.M., Morland, C., Zechel, D.L., Smith, N., Bjornvad, M.E., Borchert, T.V., Wilson, K.S., Davies, G.J., Gilbert, H.J.
Deposit date:2009-05-05
Release date:2009-05-26
Last modified:2012-11-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates.
Biochemistry, 48, 2009
4C7H
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LEISMANIA MAJOR N-MYRISTOYLTRANSFERASE IN COMPLEX WITH A PEPTIDOMIMETIC (-NH2) MOLECULE
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, N-(10-aminodecanoyl)-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide, ...
Authors:Olaleye, T.O., Brannigan, J.A., Goncalves, V., Roberts, S.M., Leatherbarrow, R.J., Wilkinson, A.J., Tate, E.W.
Deposit date:2013-09-20
Release date:2014-09-24
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Peptidomimetic Inhibitors of N-Myristoyltransferase from Human Malaria and Leishmaniasis Parasites.
Org.Biomol.Chem., 12, 2014
4CGP
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LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE IN COMPLEX WITH COFACTOR
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA, MAGNESIUM ION
Authors:Brannigan, J.A., Roberts, S.M., Bell, A.S., Hutton, J.A., Smith, D.F., Tate, E.W., Leatherbarrow, R.J., Wilkinson, A.J.
Deposit date:2013-11-25
Release date:2014-07-09
Last modified:2014-08-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors
Iucrj, 1, 2014
4CYN
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LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE IN COMPLEX WITH AN AMINOACYLPYRROLIDINE INHIBITOR (2B)
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, (3R)-3-amino-4-(4-chlorophenyl)-1-[(3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one, ...
Authors:Hutton, J.A., Goncalves, V., Brannigan, J.A., Paape, D., Waugh, T., Roberts, S.M., Bell, A.S., Wilkinson, A.J., Smith, D.F., Leatherbarrow, R.J., Tate, E.W.
Deposit date:2014-04-14
Release date:2014-10-01
Last modified:2014-11-05
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
4ARU
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HAFNIA ALVEI PHYTASE IN COMPLEX WITH TARTRATE
Descriptor:HISTIDINE ACID PHOSPHATASE, L(+)-TARTARIC ACID, SODIUM ION, ...
Authors:Ariza, A., Moroz, O.V., Blagova, E.B., Turkenburg, J.P., Vevodova, J., Roberts, S., Vind, J., Sjoholm, C., Lassen, S.F., De Maria, L., Glitsoe, V., Skov, L.K., Wilson, K.S.
Deposit date:2012-04-26
Release date:2013-05-08
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Degradation of Phytate by the 6-Phytase from Hafnia Alvei: A Combined Structural and Solution Study.
Plos One, 8, 2013
6H75
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SIAP A11N IN COMPLEX WITH NEU5AC (RT)
Descriptor:Sialic acid-binding periplasmic protein SiaP, 5-N-ACETYL-BETA-D-NEURAMINIC ACID
Authors:Fischer, M., Darby, J.F., Brannigan, J.A., Turkenburg, J., Hubbard, R.E.
Deposit date:2018-07-30
Release date:2019-08-14
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Water Networks Can Determine the Affinity of Ligand Binding to Proteins.
J.Am.Chem.Soc., 141, 2019
4CGL
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LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE IN COMPLEX WITH AN AMINOACYLPYRROLIDINE INHIBITOR
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, (3R)-3-azanyl-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one, ...
Authors:Brannigan, J.A., Roberts, S.M., Bell, A.S., Hutton, J.A., Smith, D.F., Tate, E.W., Leatherbarrow, R.J., Wilkinson, A.J.
Deposit date:2013-11-25
Release date:2014-07-09
Last modified:2014-11-05
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors
Iucrj, 1, 2014
2WHM
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CELLVIBRIO JAPONICUS MAN26A E121A AND E320G DOUBLE MUTANT IN COMPLEX WITH MANNOBIOSE
Descriptor:ENDO-1,4-BETA MANNANASE, MAN26A, ZINC ION, ...
Authors:Durcos, V.M.A., Davies, G.J., Flint, J.E., Gilbert, H.J.
Deposit date:2009-05-05
Release date:2009-05-26
Last modified:2015-03-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates.
Biochemistry, 48, 2009
2WYK
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SIAP IN COMPLEX WITH NEU5GC
Descriptor:SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP, N-Glycolylneuraminic acid, THIOCYANATE ION
Authors:Fischer, M., Hubbard, R.E.
Deposit date:2009-11-16
Release date:2011-01-26
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Water networks can determine the affinity of ligand binding to proteins.
J.Am.Chem.Soc., 2019
2WYP
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CRYSTAL STRUCTURE OF SIALIC ACID BINDING PROTEIN
Descriptor:SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP, 3-deoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid
Authors:Fischer, M., Hubbard, R.E.
Deposit date:2009-11-18
Release date:2011-01-26
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Water networks can determine the affinity of ligand binding to proteins.
J.Am.Chem.Soc., 2019
4CYO
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LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE IN COMPLEX WITH A HYBRID INHIBITOR (COMPOUND 21).
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, N-{5-[(3S,4R)-1-[(3R)-3-amino-4-(4-chlorophenyl)butanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-chlorophenyl}-2-(4-fluorophenyl)acetamide, ...
Authors:Hutton, J.A., Goncalves, V., Brannigan, J.A., Paape, D., Waugh, T., Roberts, S.M., Bell, A.S., Wilkinson, A.J., Smith, D.F., Leatherbarrow, R.J., Tate, E.W.
Deposit date:2014-04-14
Release date:2014-10-01
Last modified:2014-11-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
5G1Z
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PLASMODIUM VIVAX N-MYRISTOYLTRANSFERASE IN COMPLEX WITH A QUINOLINE INHIBITOR (COMPOUND 1)
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, 2-oxopentadecyl-CoA, ethyl 4-(2-cyanoethylsulfanyl)-6-methoxy-quinoline-3-carboxylate, ...
Authors:Goncalves, V., Brannigan, J.A., Laporte, A., Bell, A.S., Roberts, S.M., Wilkinson, A.J., Leatherbarrow, R.J., Tate, E.W.
Deposit date:2016-04-06
Release date:2017-02-15
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
5G21
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LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE IN COMPLEX WITH A QUINOLINE INHIBITOR (COMPOUND 26).
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, TETRADECANOYL-COA, ...
Authors:Goncalves, V., Brannigan, J.A., Laporte, A., Bell, A.S., Roberts, S.M., Wilkinson, A.J., Leatherbarrow, R.J., Tate, E.W.
Deposit date:2016-04-06
Release date:2017-02-15
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
6H76
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SIAP IN COMPLEX WITH NEU5AC (RT)
Descriptor:Sialic acid-binding periplasmic protein SiaP, 5-N-ACETYL-BETA-D-NEURAMINIC ACID, CHLORIDE ION, ...
Authors:Fischer, M., Darby, J.F., Brannigan, J.A., Turkenburg, J., Hubbard, R.E.
Deposit date:2018-07-30
Release date:2019-08-14
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Water Networks Can Determine the Affinity of Ligand Binding to Proteins.
J.Am.Chem.Soc., 141, 2019
5G20
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LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE IN COMPLEX WITH A QUINOLINE INHIBITOR (COMPOUND 19).
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, TETRADECANOYL-COA, ...
Authors:Goncalves, V., Brannigan, J.A., Laporte, A., Bell, A.S., Roberts, S.M., Wilkinson, A.J., Leatherbarrow, R.J., Tate, E.W.
Deposit date:2016-04-06
Release date:2017-02-15
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
4CYP
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LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE IN COMPLEX WITH A PYRROLIDINE INHIBITOR.
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, (3R)-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-hydroxybutan-1-one, ...
Authors:Hutton, J.A., Goncalves, V., Brannigan, J.A., Paape, D., Waugh, T., Roberts, S.M., Bell, A.S., Wilkinson, A.J., Smith, D.F., Leatherbarrow, R.J., Tate, E.W.
Deposit date:2014-04-14
Release date:2014-10-22
Last modified:2014-11-05
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
4ARO
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HAFNIA ALVEI PHYTASE IN COMPLEX WITH MYO-INOSITOL HEXAKIS SULPHATE
Descriptor:HISTIDINE ACID PHOSPHATASE, D-MYO-INOSITOL-HEXASULPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Moroz, O.V., Blagova, E.B., Ariza, A., Turkenburg, J.P., Vevodova, J., Roberts, S., Vind, J., Sjoholm, C., Lassen, S.F., De Maria, L., Glitsoe, V., Skov, L.K., Wilson, K.S.
Deposit date:2012-04-25
Release date:2013-05-08
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Degradation of Phytate by the 6-Phytase from Hafnia Alvei: A Combined Structural and Solution Study.
Plos One, 8, 2013
1UZ9
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CRYSTALLOGRAPHIC AND SOLUTION STUDIES OF N-LITHOCHOLYL INSULIN: A NEW GENERATION OF PROLONGED-ACTING INSULINS.
Descriptor:INSULIN, M-CRESOL, (2S)-2-AMINO-6-({(4R)-4-[(10R,13S)-10,13-DIMETHYL-3-OXOHEXADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]PENTANOYL}AMINO)HEXANOIC ACID, ...
Authors:Whittingham, J.L., Jonassen, I., Havelund, S., Roberts, S.M., Dodson, E.J., Verma, C.S., Wilkinson, A.J., Dodson, G.G.
Deposit date:2004-03-08
Release date:2005-03-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic and Solution Studies of N-Lithocholyl Insulin: A New Generation of Prolonged-Acting Human Insulins
Biochemistry, 43, 2004
2XHH
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CIRCULAR PERMUTATION PROVIDES AN EVOLUTIONARY LINK BETWEEN TWO FAMILIES OF CALCIUM-DEPENDENT CARBOHYDRATE BINDING MODULES
Descriptor:CARBOHYDRATE BINDING MODULE, (2S)-2-hydroxybutanedioic acid, CALCIUM ION
Authors:Montanier, C., Flint, J.E., Bolam, D.N., Xie, H., Liu, Z., Rogowski, A., Weiner, D., Ratnaparkhe, S., Nurizzo, D., Roberts, S.M., Turkenburg, J.P., Davies, G.J., Gilbert, H.J.
Deposit date:2010-06-16
Release date:2010-07-21
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Circular Permutation Provides an Evolutionary Link between Two Families of Calcium-Dependent Carbohydrate Binding Modules
J.Biol.Chem., 285, 2010
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