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4B10
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BU of 4b10 by Molmil
Plasmodium vivax N-myristoyltransferase with a non-hydrolysable co- factor
Descriptor: 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J.
Deposit date:2012-07-06
Release date:2012-10-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Anti-Malarial Drug Discovery.
J.Med.Chem., 55, 2012
4BBH
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BU of 4bbh by Molmil
Plasmodium vivax N-myristoyltransferase with a bound benzothiophene inhibitor
Descriptor: 2-oxopentadecyl-CoA, 3-methoxybenzyl 3-(piperidin-4-yloxy)-1-benzothiophene-2-carboxylate, CHLORIDE ION, ...
Authors:Rackham, M.D, Brannigan, J.A, Moss, D.K, Yu, Z, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J.
Deposit date:2012-09-23
Release date:2012-12-05
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Discovery of Novel and Ligand-Efficient Inhibitors of Plasmodium Falciparum and Plasmodium Vivax N-Myristoyltransferase.
J.Med.Chem., 56, 2013
4B13
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BU of 4b13 by Molmil
Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 25)
Descriptor: 2-oxopentadecyl-CoA, 4-{[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methyl-1-benzofuran-4-yl]oxy}piperidine, CHLORIDE ION, ...
Authors:Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J.
Deposit date:2012-07-06
Release date:2012-10-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Antimalarial Drug Discovery.
J.Med.Chem., 55, 2012
4B11
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BU of 4b11 by Molmil
Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 13)
Descriptor: 2-oxopentadecyl-CoA, 3-methyl-N-(naphthalen-1-ylmethyl)-4-piperidin-4-yloxy-1-benzofuran-2-carboxamide, CHLORIDE ION, ...
Authors:Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J.
Deposit date:2012-07-06
Release date:2012-10-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Anti-Malarial Drug Discovery.
J.Med.Chem., 55, 2012
4B12
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BU of 4b12 by Molmil
Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 23)
Descriptor: 1-[3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-yl]-3-phenylpropan-1-one, 2-oxopentadecyl-CoA, CHLORIDE ION, ...
Authors:Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J.
Deposit date:2012-07-06
Release date:2012-10-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Anti-Malarial Drug Discovery.
J.Med.Chem., 55, 2012
4B14
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BU of 4b14 by Molmil
Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 26)
Descriptor: 2-oxopentadecyl-CoA, 3-methoxybenzyl 3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-carboxylate, CHLORIDE ION, ...
Authors:Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J.
Deposit date:2012-07-06
Release date:2012-10-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Anti-Malarial Drug Discovery.
J.Med.Chem., 55, 2012
2YNC
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BU of 2ync by Molmil
Plasmodium vivax N-myristoyltransferase in complex with YnC12-CoA thioester.
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ...
Authors: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.
Deposit date:2012-10-13
Release date:2014-01-15
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Validation of N-Myristoyltransferase as an Antimalarial Drug Target Using an Integrated Chemical Biology Approach.
Nat.Chem., 6, 2014
2YND
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BU of 2ynd by Molmil
Plasmodium vivax N-myristoyltransferase in complex with a pyrazole sulphonamide inhibitor.
Descriptor: 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, ...
Authors: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.
Deposit date:2012-10-13
Release date:2014-01-15
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Validation of N-Myristoyltransferase as an Antimalarial Drug Target Using an Integrated Chemical Biology Approach.
Nat.Chem., 6, 2014
2YNE
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BU of 2yne by Molmil
Plasmodium vivax N-myristoyltransferase in complex with a benzothiophene inhibitor
Descriptor: 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, ...
Authors: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.
Deposit date:2012-10-13
Release date:2014-01-15
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Validation of N-Myristoyltransferase as an Antimalarial Drug Target Using an Integrated Chemical Biology Approach.
Nat.Chem., 6, 2014

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