5G21
| Leishmania major N-myristoyltransferase in complex with a quinoline inhibitor (compound 26). | Descriptor: | ETHYL 4-[(2-CYANOETHYL)SULFANYL]-6-{[6-(PIPERAZIN-1-YL), GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | 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
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5G1Z
| Plasmodium vivax N-myristoyltransferase in complex with a quinoline inhibitor (compound 1) | Descriptor: | 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 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: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase. Medchemcomm, 8, 2017
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5G20
| Leishmania major N-myristoyltransferase in complex with a quinoline inhibitor (compound 19). | Descriptor: | 6-(BENZYLOXY)-4-(ETHYLSULFANYL)-3-[(MORPHOLIN-4-YL), DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | 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: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase. Medchemcomm, 8, 2017
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5G22
| Plasmodium vivax N-myristoyltransferase in complex with a quinoline inhibitor (compound 26) | Descriptor: | 2-oxopentadecyl-CoA, CHLORIDE ION, ETHYL 4-[(2-CYANOETHYL)SULFANYL]-6-{[6-(PIPERAZIN-1-YL), ... | 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: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase. Medchemcomm, 8, 2017
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4A95
| Plasmodium vivax N-myristoyltransferase with quinoline inhibitor | Descriptor: | 2-oxopentadecyl-CoA, 3-(3-BUTYL-6-METHOXY-2-METHYL-QUINOLIN-4-YL)SULFANYLPROPANENITRILE, CHLORIDE ION, ... | Authors: | Goncalves, V, Brannigan, J.A, Whalley, D, Ansell, K.H, Saxty, B, Holder, A.A, Wilkinson, A.J, Tate, E.W, Leatherbarrow, R.J. | Deposit date: | 2011-11-24 | Release date: | 2012-06-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of Plasmodium Vivax N-Myristoyltransferase Inhibitors: Screening, Synthesis, and Structural Characterization of Their Binding Mode. J.Med.Chem., 55, 2012
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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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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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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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5K39
| THE TYPE II COHESIN DOCKERIN COMPLEX FROM CLOSTRIDIUM THERMOCELLUM | Descriptor: | CALCIUM ION, Cellulosome anchoring protein cohesin region, Dockerin module from a protein of unknown function | Authors: | Viegas, A, Pinheiro, B, Bras, J.L.A, Romao, M.J, Alves, V, Carvalho, A.L, Fontes, C.M.G.A. | Deposit date: | 2016-05-19 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Diverse specificity of cellulosome attachment to the bacterial cell surface. Sci Rep, 6, 2016
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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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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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4CGN
| Leishmania major N-myristoyltransferase in complex with a piperidinylindole inhibitor | Descriptor: | 2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)ethanamide, 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 (1.69 Å) | Cite: | Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors Iucrj, 1, 2014
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4CGL
| Leishmania major N-myristoyltransferase in complex with an aminoacylpyrrolidine inhibitor | Descriptor: | (3R)-3-azanyl-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one, 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 (1.48 Å) | Cite: | Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors Iucrj, 1, 2014
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