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6EHJ
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BU of 6ehj by Molmil
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
5A28
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BU of 5a28 by Molmil
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
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Discovery of High Affinity Inhibitors of Leishmania Donovani N-Myristoyltransferase.
Medchemcomm, 6, 2015
5A27
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BU of 5a27 by Molmil
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
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Discovery of High Affinity Inhibitors of Leishmania Donovani N-Myristoyltransferase.
Medchemcomm, 6, 2015
4MZL
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BU of 4mzl by Molmil
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:2023-06-07
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
4MZJ
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BU of 4mzj by Molmil
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
4MZK
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BU of 4mzk by Molmil
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
4A95
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BU of 4a95 by Molmil
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:2012-07-18
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
7OPP
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BU of 7opp by Molmil
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
7OPR
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BU of 7opr by Molmil
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:2024-01-31
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
7OPQ
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BU of 7opq by Molmil
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
7QFT
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BU of 7qft by Molmil
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
7QFV
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BU of 7qfv by Molmil
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
6HUF
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BU of 6huf by Molmil
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
5G21
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BU of 5g21 by Molmil
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
5G1Z
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BU of 5g1z by Molmil
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:2017-06-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
5G20
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BU of 5g20 by Molmil
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:2017-06-28
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
5G22
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BU of 5g22 by Molmil
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:2017-06-28
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
5MU6
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BU of 5mu6 by Molmil
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
5NPQ
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BU of 5npq by Molmil
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
4R1E
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BU of 4r1e by Molmil
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
4UFW
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BU of 4ufw by Molmil
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:2016-04-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of Pyridyl-Based Inhibitors of Plasmodium Falciparum N-Myristoyltransferase
Medchemcomm, 6, 2015
4UFX
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BU of 4ufx by Molmil
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:2016-04-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Discovery of Pyridyl-Based Inhibitors of Plasmodium Falciparum N-Myristoyltransferase
Medchemcomm, 6, 2015
4UFV
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BU of 4ufv by Molmil
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
2WUU
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BU of 2wuu by Molmil
Structure of N-myristoyltransferase from L. donovani
Descriptor: 2-oxopentadecyl-CoA, N-MYRISTOYLTRANSFERASE
Authors:Brannigan, J.A, Smith, B.A, Yu, Z, Hodgkinson, M.R, Leatherbarrow, R.J, Tate, E.W, Brzozowski, A.M, Smith, D.F, Wilkinson, A.J.
Deposit date:2009-10-09
Release date:2009-12-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:N-Myristoyltransferase from Leishmania Donovani: Structural and Functional Characterisation of a Potential Drug Target for Visceral Leishmaniasis.
J.Mol.Biol., 396, 2010
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

 

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