7QFT
 
 | | Crystal structure of KLK6 in complex with compound 16a | | Descriptor: | KLK6 Activity-Based Probe (Ahx-DPhe-Cha-Dht-Arg-DPP), Kallikrein-6 | | Authors: | Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J. | | Deposit date: | 2021-12-06 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion.
J.Am.Chem.Soc., 144, 2022
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7QFV
 | | Crystal structure of KLK6 in complex with compound 17a | | Descriptor: | KLK6 Activity-Based Probe (Ahx-DPhe-Ser(Z)-Dht-Arg-DPP), Kallikrein-6 | | Authors: | Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J. | | Deposit date: | 2021-12-06 | | Release date: | 2022-10-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion.
J.Am.Chem.Soc., 144, 2022
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6EHJ
 | | Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and peptide bound | | Descriptor: | ASPARAGINE, COENZYME A, GLYCEROL, ... | | Authors: | Perez-Dorado, I, Ritzefeld, M, Tate, E.W. | | Deposit date: | 2017-09-13 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | High-resolution snapshots of human N-myristoyltransferase in action illuminate a mechanism promoting N-terminal Lys and Gly myristoylation.
Nat Commun, 11, 2020
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7OPQ
 | | Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CA1 in C188 | | Descriptor: | 1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | | Deposit date: | 2021-06-01 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A.
Rsc Med Chem, 13, 2022
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7OPR
 | | Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CB1 in C123 | | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | | Deposit date: | 2021-06-01 | | Release date: | 2022-04-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A.
Rsc Med Chem, 13, 2022
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7OPP
 | | Crystal structure of the Rab27a fusion with Slp2a-RBDa1 effector for SF4 pocket drug targeting | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Synaptotagmin-like protein 2,Ras-related protein Rab-27A | | Authors: | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | | Deposit date: | 2021-06-01 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A.
Rsc Med Chem, 13, 2022
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5MU6
 | | Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and IMP-1088 inhibitor bound | | Descriptor: | 1-[5-[3,4-bis(fluoranyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ... | | Authors: | Perez-Dorado, I, Bell, A.S, Tate, E.W. | | Deposit date: | 2017-01-12 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
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5NPQ
 | | Human N-myristoyltransferase 1 (MNT1) with Myristoyl-CoA analogue X10 bound | | Descriptor: | GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, MAGNESIUM ION, ... | | Authors: | Shen, M, Perez-Dorado, I, Fedoryshchak, R, Tate, E.W. | | Deposit date: | 2017-04-18 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.372 Å) | | Cite: | Human N-myristoyltransferase 1 (MNT1) with Myristoyl-CoA analogue X10 bound.
To be published
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6HUF
 | | Coping with strong translational non-crystallographic symmetry and extreme anisotropy in molecular replacement with Phaser: human Rab27a | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-27A | | Authors: | Jamshidiha, M, Perez-Dorado, I, Murray, J.W, Tate, E.W, Cota, E, Read, R.J. | | Deposit date: | 2018-10-08 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Coping with strong translational noncrystallographic symmetry and extreme anisotropy in molecular replacement with Phaser: human Rab27a.
Acta Crystallogr D Struct Biol, 75, 2019
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4R1E
 | | Crystal Structure of MTIP from Plasmodium falciparum in complex with a peptide-fragment chimera | | Descriptor: | 5-{[(2-aminoethyl)sulfanyl]methyl}furan-2-carbaldehyde, Myosin A tail domain interacting protein, Myosin-A | | Authors: | Douse, C.H, Vrielink, N, Cota, E, Tate, E.W. | | Deposit date: | 2014-08-05 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Targeting a Dynamic Protein-Protein Interaction: Fragment Screening against the Malaria Myosin A Motor Complex.
Chemmedchem, 10, 2015
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4UFW
 | | Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 22) | | Descriptor: | 2-oxopentadecyl-CoA, 4-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide, CHLORIDE ION, ... | | Authors: | Yu, Z, Brannigan, J.A, Rangachari, K, Heal, W.P, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | | Deposit date: | 2015-03-19 | | Release date: | 2016-02-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of Pyridyl-Based Inhibitors of Plasmodium Falciparum N-Myristoyltransferase
Medchemcomm, 6, 2015
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4UFX
 | | Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 19) | | Descriptor: | 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Yu, Z, Brannigan, J.A, Rangachari, K, Heal, W.P, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | | Deposit date: | 2015-03-19 | | Release date: | 2016-02-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Discovery of Pyridyl-Based Inhibitors of Plasmodium Falciparum N-Myristoyltransferase
Medchemcomm, 6, 2015
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4UFV
 | | Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 18) | | Descriptor: | 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Yu, Z, Brannigan, J.A, Rangachari, K, Heal, W.P, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | | Deposit date: | 2015-03-19 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of Pyridyl-Based Inhibitors of Plasmodium Falciparum N-Myristoyltransferase
Medchemcomm, 6, 2015
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5A28
 | | Leishmania major N-myristoyltransferase in complex with a chlorophenyl 1,3,4-oxadiazole inhibitor. | | Descriptor: | 4-(4-chloro-2-{5-[(trimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}phenoxy)piperidine, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | | Authors: | Rackham, M.D, Yu, Z, Brannigan, J.A, Heal, W.P, Paape, D, Barker, K.V, Wilkinson, A.J, Smith, D.F, Tate, E.W, Leatherbarrow, R.J. | | Deposit date: | 2015-05-15 | | Release date: | 2016-03-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Discovery of High Affinity Inhibitors of Leishmania Donovani N-Myristoyltransferase.
Medchemcomm, 6, 2015
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5A27
 | | Leishmania major N-myristoyltransferase in complex with a chlorophenyl 1,2,4-oxadiazole inhibitor. | | Descriptor: | 5-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | | Authors: | Rackham, M.D, Yu, Z, Brannigan, J.A, Heal, W.P, Paape, D, Barker, K.V, Wilkinson, A.J, Smith, D.F, Tate, E.W, Leatherbarrow, R.J. | | Deposit date: | 2015-05-15 | | Release date: | 2016-03-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Discovery of High Affinity Inhibitors of Leishmania Donovani N-Myristoyltransferase.
Medchemcomm, 6, 2015
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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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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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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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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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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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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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4MZL
 | | Crystal Structure of MTIP from Plasmodium falciparum in complex with HBS myoA, a hydrogen bond surrogate myoA helix mimetic | | Descriptor: | Myosin A tail domain interacting protein, hydrogen bond surrogate (HBS) myoA helix mimetic | | Authors: | Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W. | | Deposit date: | 2013-09-30 | | Release date: | 2013-11-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction.
Acs Chem.Biol., 8, 2014
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4MZJ
 | | Crystal Structure of MTIP from Plasmodium falciparum in complex with pGly[801,805], a stapled myoA tail peptide | | Descriptor: | Myosin A tail domain interacting protein, Myosin-A | | Authors: | Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W. | | Deposit date: | 2013-09-30 | | Release date: | 2013-11-06 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.474 Å) | | Cite: | Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction.
Acs Chem.Biol., 8, 2014
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4MZK
 | | Crystal Structure of MTIP from Plasmodium falciparum in complex with pGly[807,811], a stapled myoA tail peptide | | Descriptor: | Myosin A tail domain interacting protein, pGly[807,811], a stapled myoA tail peptide | | Authors: | Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W. | | Deposit date: | 2013-09-30 | | Release date: | 2013-11-06 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction.
Acs Chem.Biol., 8, 2014
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4B13
 | | 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
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