2YOG
| Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- alpha-deoxythymidine inhibitor | 分子名称: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxol an-2-yl]methyl]thiourea, THYMIDYLATE KINASE | 著者 | Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H. | 登録日 | 2012-10-24 | 公開日 | 2013-07-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials. J.Med.Chem., 55, 2012
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2WKB
| Crystal Structure of Macrophage Migration Inhibitory Factor from Plasmodium berghei | 分子名称: | GLYCEROL, MACROPHAGE MIGRATION INHIBITORY FACTOR | 著者 | Dobson, S.E, Augustijn, K.D, Brannigan, J.A, Dodson, E.J, Waters, A.P, Wilkinson, A.J. | 登録日 | 2009-06-08 | 公開日 | 2009-10-27 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | The Crystal Structures of Macrophage Migration Inhibition Factor (Mif) from Plasmodium Falciparum and Plasmodium Berghei. Protein Sci., 18, 2009
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2YOH
| Plasmodium falciparum thymidylate kinase in complex with a urea-alpha- deoxythymidine inhibitor | 分子名称: | 1-[[(2R,3S,5S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]-3-(4-nitrophenyl)urea, THYMIDYLATE KINASE | 著者 | Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H. | 登録日 | 2012-10-24 | 公開日 | 2013-07-24 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials. J.Med.Chem., 55, 2012
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2WKF
| Crystal Structure of Macrophage Migration Inhibitory Factor from Plasmodium falciparum | 分子名称: | GLYCEROL, MACROPHAGE MIGRATION INHIBITORY FACTOR | 著者 | Dobson, S.E, Augustijn, K.D, Brannigan, J.A, Dodson, E.J, Waters, A.P, Wilkinson, A.J. | 登録日 | 2009-06-11 | 公開日 | 2009-10-27 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | The crystal structures of macrophage migration inhibitory factor from Plasmodium falciparum and Plasmodium berghei. Protein Sci., 18, 2009
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2YND
| Plasmodium vivax N-myristoyltransferase in complex with a pyrazole sulphonamide inhibitor. | 分子名称: | 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, 2-oxopentadecyl-CoA, CHLORIDE ION, ... | 著者 | Wright, M.H, Clough, B, Rackham, M.D, Brannigan, J.A, Grainger, M, Bottrill, A.R, Heal, W.P, Broncel, M, Serwa, R.A, Mann, D, Leatherbarrow, R.J, Wilkinson, A.J, Holder, A.A, Tate, E.W. | 登録日 | 2012-10-13 | 公開日 | 2014-01-15 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Validation of N-Myristoyltransferase as an Antimalarial Drug Target Using an Integrated Chemical Biology Approach. Nat.Chem., 6, 2014
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2YNE
| Plasmodium vivax N-myristoyltransferase in complex with a benzothiophene inhibitor | 分子名称: | 2-(3-piperidin-4-yloxy-1-benzothiophen-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole, 2-oxopentadecyl-CoA, CHLORIDE ION, ... | 著者 | Wright, M.H, Clough, B, Rackham, M.D, Brannigan, J.A, Grainger, M, Bottrill, A.R, Heal, W.P, Broncel, M, Serwa, R.A, Mann, D, Leatherbarrow, R.J, Wilkinson, A.J, Holder, A.A, Tate, E.W. | 登録日 | 2012-10-13 | 公開日 | 2014-01-15 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Validation of N-Myristoyltransferase as an Antimalarial Drug Target Using an Integrated Chemical Biology Approach. Nat.Chem., 6, 2014
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2YNC
| Plasmodium vivax N-myristoyltransferase in complex with YnC12-CoA thioester. | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | 著者 | Wright, M.H, Clough, B, Rackham, M.D, Brannigan, J.A, Grainger, M, Bottrill, A.R, Heal, W.P, Broncel, M, Serwa, R.A, Mann, D, Leatherbarrow, R.J, Wilkinson, A.J, Holder, A.A, Tate, E.W. | 登録日 | 2012-10-13 | 公開日 | 2014-01-15 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Validation of N-Myristoyltransferase as an Antimalarial Drug Target Using an Integrated Chemical Biology Approach. Nat.Chem., 6, 2014
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2W40
| Crystal structure of Plasmodium falciparum glycerol kinase with bound glycerol | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, GLYCEROL KINASE, ... | 著者 | Schnick, C, Polley, S.D, Fivelman, Q.L, Ranford-Cartwright, L, Wilkinson, S.R, Brannigan, J.A, Wilkinson, A.J, Baker, D.A. | 登録日 | 2008-11-18 | 公開日 | 2008-12-02 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Structure and Non-Essential Function of Glycerol Kinase in Plasmodium Falciparum Blood Stages. Mol.Microbiol., 71, 2009
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2W41
| Crystal structure of Plasmodium falciparum glycerol kinase with ADP | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL KINASE, ... | 著者 | Schnick, C, Polley, S.D, Fivelman, Q.L, Ranford-Cartwright, L, Wilkinson, S.R, Brannigan, J.A, Wilkinson, A.J, Baker, D.A. | 登録日 | 2008-11-18 | 公開日 | 2008-12-02 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Structure and Non-Essential Function of Glycerol Kinase in Plasmodium Falciparum Blood Stages. Mol.Microbiol., 71, 2009
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4B12
| Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 23) | 分子名称: | 1-[3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-yl]-3-phenylpropan-1-one, 2-oxopentadecyl-CoA, CHLORIDE ION, ... | 著者 | Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | 登録日 | 2012-07-06 | 公開日 | 2012-10-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Anti-Malarial Drug Discovery. J.Med.Chem., 55, 2012
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4BBH
| Plasmodium vivax N-myristoyltransferase with a bound benzothiophene inhibitor | 分子名称: | 2-oxopentadecyl-CoA, 3-methoxybenzyl 3-(piperidin-4-yloxy)-1-benzothiophene-2-carboxylate, CHLORIDE ION, ... | 著者 | Rackham, M.D, Brannigan, J.A, Moss, D.K, Yu, Z, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | 登録日 | 2012-09-23 | 公開日 | 2012-12-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Discovery of Novel and Ligand-Efficient Inhibitors of Plasmodium Falciparum and Plasmodium Vivax N-Myristoyltransferase. J.Med.Chem., 56, 2013
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4B13
| Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 25) | 分子名称: | 2-oxopentadecyl-CoA, 4-{[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methyl-1-benzofuran-4-yl]oxy}piperidine, CHLORIDE ION, ... | 著者 | Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | 登録日 | 2012-07-06 | 公開日 | 2012-10-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Antimalarial Drug Discovery. J.Med.Chem., 55, 2012
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4B10
| Plasmodium vivax N-myristoyltransferase with a non-hydrolysable co- factor | 分子名称: | 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | 登録日 | 2012-07-06 | 公開日 | 2012-10-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Anti-Malarial Drug Discovery. J.Med.Chem., 55, 2012
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4B11
| Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 13) | 分子名称: | 2-oxopentadecyl-CoA, 3-methyl-N-(naphthalen-1-ylmethyl)-4-piperidin-4-yloxy-1-benzofuran-2-carboxamide, CHLORIDE ION, ... | 著者 | Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | 登録日 | 2012-07-06 | 公開日 | 2012-10-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Anti-Malarial Drug Discovery. J.Med.Chem., 55, 2012
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4B14
| Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 26) | 分子名称: | 2-oxopentadecyl-CoA, 3-methoxybenzyl 3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-carboxylate, CHLORIDE ION, ... | 著者 | Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | 登録日 | 2012-07-06 | 公開日 | 2012-10-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Anti-Malarial Drug Discovery. J.Med.Chem., 55, 2012
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4CAF
| Plasmodium vivax N-myristoyltransferase in complex with a benzothiophene inhibitor (compound 34a) | 分子名称: | 2-oxopentadecyl-CoA, 4-[(2-{5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine, AMMONIUM ION, ... | 著者 | Rackham, M.D, Brannigan, J.A, Rangachari, K, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | 登録日 | 2013-10-08 | 公開日 | 2014-04-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Design and Synthesis of High Affinity Inhibitors of Plasmodium Falciparum and Plasmodium Vivax N-Myristoyltransferases Directed by Ligand Efficiency Dependent Lipophilicity (Lelp). J.Med.Chem., 57, 2014
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4CYN
| Leishmania major N-myristoyltransferase in complex with an aminoacylpyrrolidine inhibitor (2b) | 分子名称: | (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, ... | 著者 | 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. | 登録日 | 2014-04-14 | 公開日 | 2014-10-01 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | 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). | 分子名称: | 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, ... | 著者 | 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. | 登録日 | 2014-04-14 | 公開日 | 2014-10-01 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | 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. | 分子名称: | (3R)-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-hydroxybutan-1-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | 著者 | 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. | 登録日 | 2014-04-14 | 公開日 | 2014-10-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors. J.Med.Chem., 57, 2014
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4CAE
| Plasmodium vivax N-myristoyltransferase in complex with a benzothiophene inhibitor (compound 20b) | 分子名称: | 2-oxopentadecyl-CoA, 4-[(2-{5-[(3-METHOXYPHENYL)METHYL]-1,3,4-OXADIAZOL-2-YL}-1-BENZOTHIOPHEN-3-YL)OXY]PIPERIDINE, CHLORIDE ION, ... | 著者 | Rackham, M.D, Brannigan, J.A, Rangachari, K, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | 登録日 | 2013-10-08 | 公開日 | 2014-04-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Design and Synthesis of High Affinity Inhibitors of Plasmodium Falciparum and Plasmodium Vivax N-Myristoyltransferases Directed by Ligand Efficiency Dependent Lipophilicity (Lelp). J.Med.Chem., 57, 2014
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4A95
| Plasmodium vivax N-myristoyltransferase with quinoline inhibitor | 分子名称: | 2-oxopentadecyl-CoA, 3-(3-BUTYL-6-METHOXY-2-METHYL-QUINOLIN-4-YL)SULFANYLPROPANENITRILE, CHLORIDE ION, ... | 著者 | Goncalves, V, Brannigan, J.A, Whalley, D, Ansell, K.H, Saxty, B, Holder, A.A, Wilkinson, A.J, Tate, E.W, Leatherbarrow, R.J. | 登録日 | 2011-11-24 | 公開日 | 2012-06-27 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | 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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4CYQ
| Leishmania major N-myristoyltransferase in complex with a hybrid inhibitor (compound 45). | 分子名称: | 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, ... | 著者 | 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. | 登録日 | 2014-04-14 | 公開日 | 2014-10-01 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors. J.Med.Chem., 57, 2014
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4C7I
| Leismania major N-myristoyltransferase in complex with a peptidomimetic (-OH) molecule | 分子名称: | DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | 著者 | Olaleye, T.O, Brannigan, J.A, Goncalves, V, Roberts, S.M, Leatherbarrow, R.J, Wilkinson, A.J, Tate, E.W. | 登録日 | 2013-09-20 | 公開日 | 2014-09-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Peptidomimetic Inhibitors of N-Myristoyltransferase from Human Malaria and Leishmaniasis Parasites. Org.Biomol.Chem., 12, 2014
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4C2Y
| Human N-myristoyltransferase (NMT1) with Myristoyl-CoA co-factor | 分子名称: | CITRIC ACID, GLYCEROL, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE 1, ... | 著者 | Thinon, E, Serwa, R.A, Brannigan, J.A, Brassat, U, Wright, M.H, Heal, W.P, Wilkinson, A.J, Mann, D.J, Tate, E.W. | 登録日 | 2013-08-20 | 公開日 | 2014-10-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Global Profiling of Co- and Post-Translationally N-Myristoylated Proteomes in Human Cells. Nat.Commun., 5, 2014
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4C7H
| Leismania major N-myristoyltransferase in complex with a peptidomimetic (-NH2) molecule | 分子名称: | COENZYME A, DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | 著者 | Olaleye, T.O, Brannigan, J.A, Goncalves, V, Roberts, S.M, Leatherbarrow, R.J, Wilkinson, A.J, Tate, E.W. | 登録日 | 2013-09-20 | 公開日 | 2014-09-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Peptidomimetic Inhibitors of N-Myristoyltransferase from Human Malaria and Leishmaniasis Parasites. Org.Biomol.Chem., 12, 2014
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