4C68
 
 | | Plasmodium vivax N-myristoyltransferase in complex with a peptidomimetic inhibitor | | Descriptor: | 2-oxopentadecyl-CoA, CHLORIDE ION, 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: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Peptidomimetic Inhibitors of N-Myristoyltransferase from Human Malaria and Leishmaniasis Parasites.
Org.Biomol.Chem., 12, 2014
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4C7I
 | | Leismania major N-myristoyltransferase in complex with a peptidomimetic (-OH) molecule | | Descriptor: | DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, 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: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Peptidomimetic Inhibitors of N-Myristoyltransferase from Human Malaria and Leishmaniasis Parasites.
Org.Biomol.Chem., 12, 2014
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4C7H
 | | Leismania major N-myristoyltransferase in complex with a peptidomimetic (-NH2) molecule | | Descriptor: | COENZYME A, DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | | 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: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Peptidomimetic Inhibitors of N-Myristoyltransferase from Human Malaria and Leishmaniasis Parasites.
Org.Biomol.Chem., 12, 2014
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4CGO
 | | Leishmania major N-myristoyltransferase in complex with a thienopyrimidine inhibitor | | Descriptor: | 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, 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: | 2024-05-08 | | 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
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4CGM
 | | Leishmania major N-myristoyltransferase in complex with a biphenyl- derivative inhibitor | | Descriptor: | GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, N-[[3-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ylmethyl)phenyl]phenyl]methyl]-2-pyridin-3-yl-ethanamine, ... | | 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: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors
Iucrj, 1, 2014
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4CYO
 | | 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: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
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4CYN
 | | Leishmania major N-myristoyltransferase in complex with an aminoacylpyrrolidine inhibitor (2b) | | Descriptor: | (3R)-3-amino-4-(4-chlorophenyl)-1-[(3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | | 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: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
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4CYP
 | | Leishmania major N-myristoyltransferase in complex with a pyrrolidine inhibitor. | | Descriptor: | (3R)-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-hydroxybutan-1-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | | 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: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
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4CYQ
 | | Leishmania major N-myristoyltransferase in complex with a hybrid inhibitor (compound 45). | | Descriptor: | GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, N-{2-chloro-5-[(3S,4R)-1-[(3R)-4-(4-chlorophenyl)-3-hydroxybutanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]phenyl}-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: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
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4CGP
 | | Leishmania major N-myristoyltransferase in complex with cofactor | | 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: | 2024-05-08 | | 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
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2IYA
 | | The crystal structure of macrolide glycosyltransferases: A blueprint for antibiotic engineering | | Descriptor: | (3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-HYDROXY-5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-14-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}-1,9-DIOXASPIRO[2.13]HEXADEC-12-YL 2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSIDE, OLEANDOMYCIN GLYCOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE | | Authors: | Bolam, D.N, Roberts, S.M, Proctor, M.R, Turkenburg, J.P, Dodson, E.J, Martinez-Fleites, C, Yang, M, Davis, B.G, Davies, G.J, Gilbert, H.J. | | Deposit date: | 2006-07-13 | | Release date: | 2007-03-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crystal Structure of Two Macrolide Glycosyltransferases Provides a Blueprint for Host Cell Antibiotic Immunity.
Proc.Natl.Acad.Sci.USA, 104, 2007
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2IYF
 | | The crystal structure of macrolide glycosyltransferases: A blueprint for antibiotic engineering | | Descriptor: | ERYTHROMYCIN A, MAGNESIUM ION, OLEANDOMYCIN GLYCOSYLTRANSFERASE, ... | | Authors: | Bolam, D.N, Roberts, S.M, Proctor, M.R, Turkenburg, J.P, Dodson, E.J, Martinez-Fleites, C, Yang, M, Davis, B.G, Davies, G.J, Gilbert, H.J. | | Deposit date: | 2006-07-17 | | Release date: | 2007-03-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crystal Structure of Two Macrolide Glycosyltransferases Provides a Blueprint for Host Cell Antibiotic Immunity.
Proc.Natl.Acad.Sci.USA, 104, 2007
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1UZ9
 | | Crystallographic and solution studies of N-lithocholyl insulin: a new generation of prolonged-acting insulins. | | Descriptor: | (2S)-2-AMINO-6-({(4R)-4-[(10R,13S)-10,13-DIMETHYL-3-OXOHEXADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]PENTANOYL}AMINO)HEXANOIC ACID, CHLORIDE ION, INSULIN, ... | | 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: | 2023-12-13 | | 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
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2WHL
 | | Understanding how diverse mannanases recognise heterogeneous substrates | | Descriptor: | ACETATE ION, BETA-MANNANASE, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose | | 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: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates.
Biochemistry, 48, 2009
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2WYN
 | | Structure of family 37 trehalase from Escherichia coli in complex with a casuarine-6-O-a-D-glucoside analogue | | Descriptor: | (1R,2R,3R,6R,7R,7AR)-3,7-BIS(HYDROXYMETHYL)HEXAHYDRO-1H-PYRROLIZINE-1,2,6-TRIOL, CALCIUM ION, PERIPLASMIC TREHALASE, ... | | Authors: | Gloster, T.M, Roberts, S.M, Davies, G.J, Cardona, F, Goti, A, Parmeggiani, C, Parenti, P, Fusi, P, Forcella, M, Cipolla, L. | | Deposit date: | 2009-11-17 | | Release date: | 2010-09-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Casuarine-6-O-alpha-D-glucoside and its analogues are tight binding inhibitors of insect and bacterial trehalases.
Chem.Commun.(Camb.), 46, 2010
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2WHJ
 | | Understanding how diverse mannanases recognise heterogeneous substrates | | Descriptor: | ACETATE ION, BETA-MANNANASE, GLYCEROL, ... | | 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: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates.
Biochemistry, 48, 2009
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6H75
 | | SiaP A11N in complex with Neu5Ac (RT) | | Descriptor: | N-acetyl-beta-neuraminic acid, Sialic acid-binding periplasmic protein SiaP | | 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: | 2024-05-15 | | 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
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6H76
 | | SiaP in complex with Neu5Ac (RT) | | Descriptor: | CESIUM ION, CHLORIDE ION, N-acetyl-beta-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: | 2024-05-15 | | 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
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6QDB
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6QDA
 | | Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000811 | | Descriptor: | 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ... | | Authors: | Brannigan, J.A. | | Deposit date: | 2019-01-01 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
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6QDG
 | | Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000169 | | Descriptor: | 3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ... | | Authors: | Brannigan, J.A. | | Deposit date: | 2019-01-01 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
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6QDD
 | | Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000105 | | Descriptor: | 2-[(2~{S})-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydropyrrol-2-yl]ethanenitrile, DIMETHYL SULFOXIDE, Glycylpeptide N-tetradecanoyltransferase, ... | | Authors: | Brannigan, J.A. | | Deposit date: | 2019-01-01 | | Release date: | 2020-05-06 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
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6QDC
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6QD9
 | | Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000065 | | Descriptor: | 3-[[2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ... | | Authors: | Brannigan, J.A. | | Deposit date: | 2019-01-01 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
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6QDH
 | | Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000906 | | Descriptor: | 4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-~{N}-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ... | | Authors: | Brannigan, J.A. | | Deposit date: | 2019-01-01 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
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