7QFT
 
 | | Crystal structure of KLK6 in complex with compound 16a | | 分子名称: | KLK6 Activity-Based Probe (Ahx-DPhe-Cha-Dht-Arg-DPP), Kallikrein-6 | | 著者 | Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J. | | 登録日 | 2021-12-06 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion.
J.Am.Chem.Soc., 144, 2022
|
|
7QFV
 | | Crystal structure of KLK6 in complex with compound 17a | | 分子名称: | KLK6 Activity-Based Probe (Ahx-DPhe-Ser(Z)-Dht-Arg-DPP), Kallikrein-6 | | 著者 | Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J. | | 登録日 | 2021-12-06 | | 公開日 | 2022-10-26 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion.
J.Am.Chem.Soc., 144, 2022
|
|
5MU6
 | | Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and IMP-1088 inhibitor bound | | 分子名称: | 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, ... | | 著者 | Perez-Dorado, I, Bell, A.S, Tate, E.W. | | 登録日 | 2017-01-12 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
|
|
6EHJ
 | | Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and peptide bound | | 分子名称: | ASPARAGINE, COENZYME A, GLYCEROL, ... | | 著者 | Perez-Dorado, I, Ritzefeld, M, Tate, E.W. | | 登録日 | 2017-09-13 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | High-resolution snapshots of human N-myristoyltransferase in action illuminate a mechanism promoting N-terminal Lys and Gly myristoylation.
Nat Commun, 11, 2020
|
|
6HUF
 | | Coping with strong translational non-crystallographic symmetry and extreme anisotropy in molecular replacement with Phaser: human Rab27a | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-27A | | 著者 | Jamshidiha, M, Perez-Dorado, I, Murray, J.W, Tate, E.W, Cota, E, Read, R.J. | | 登録日 | 2018-10-08 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | | 主引用文献 | Coping with strong translational noncrystallographic symmetry and extreme anisotropy in molecular replacement with Phaser: human Rab27a.
Acta Crystallogr D Struct Biol, 75, 2019
|
|
7OPQ
 | | Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CA1 in C188 | | 分子名称: | 1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one, GLYCEROL, MAGNESIUM ION, ... | | 著者 | 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. | | 登録日 | 2021-06-01 | | 公開日 | 2022-04-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A.
Rsc Med Chem, 13, 2022
|
|
7OPR
 | | Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CB1 in C123 | | 分子名称: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | 著者 | 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. | | 登録日 | 2021-06-01 | | 公開日 | 2022-04-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A.
Rsc Med Chem, 13, 2022
|
|
7OPP
 | | Crystal structure of the Rab27a fusion with Slp2a-RBDa1 effector for SF4 pocket drug targeting | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Synaptotagmin-like protein 2,Ras-related protein Rab-27A | | 著者 | 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. | | 登録日 | 2021-06-01 | | 公開日 | 2022-04-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A.
Rsc Med Chem, 13, 2022
|
|
4MZJ
 | | Crystal Structure of MTIP from Plasmodium falciparum in complex with pGly[801,805], a stapled myoA tail peptide | | 分子名称: | Myosin A tail domain interacting protein, Myosin-A | | 著者 | Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W. | | 登録日 | 2013-09-30 | | 公開日 | 2013-11-06 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.474 Å) | | 主引用文献 | Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction.
Acs Chem.Biol., 8, 2014
|
|
4MZL
 | | Crystal Structure of MTIP from Plasmodium falciparum in complex with HBS myoA, a hydrogen bond surrogate myoA helix mimetic | | 分子名称: | Myosin A tail domain interacting protein, hydrogen bond surrogate (HBS) myoA helix mimetic | | 著者 | Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W. | | 登録日 | 2013-09-30 | | 公開日 | 2013-11-06 | | 最終更新日 | 2023-06-07 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction.
Acs Chem.Biol., 8, 2014
|
|
4MZK
 | | Crystal Structure of MTIP from Plasmodium falciparum in complex with pGly[807,811], a stapled myoA tail peptide | | 分子名称: | Myosin A tail domain interacting protein, pGly[807,811], a stapled myoA tail peptide | | 著者 | Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W. | | 登録日 | 2013-09-30 | | 公開日 | 2013-11-06 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction.
Acs Chem.Biol., 8, 2014
|
|
5G20
 | | Leishmania major N-myristoyltransferase in complex with a quinoline inhibitor (compound 19). | | 分子名称: | 6-(BENZYLOXY)-4-(ETHYLSULFANYL)-3-[(MORPHOLIN-4-YL), DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | | 著者 | Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W. | | 登録日 | 2016-04-06 | | 公開日 | 2017-02-15 | | 最終更新日 | 2017-06-28 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
|
|
5G22
 | | Plasmodium vivax N-myristoyltransferase in complex with a quinoline inhibitor (compound 26) | | 分子名称: | 2-oxopentadecyl-CoA, CHLORIDE ION, ETHYL 4-[(2-CYANOETHYL)SULFANYL]-6-{[6-(PIPERAZIN-1-YL), ... | | 著者 | Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W. | | 登録日 | 2016-04-06 | | 公開日 | 2017-02-15 | | 最終更新日 | 2017-06-28 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
|
|
5G1Z
 | | Plasmodium vivax N-myristoyltransferase in complex with a quinoline inhibitor (compound 1) | | 分子名称: | 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W. | | 登録日 | 2016-04-06 | | 公開日 | 2017-02-15 | | 最終更新日 | 2017-06-28 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
|
|
5G21
 | | Leishmania major N-myristoyltransferase in complex with a quinoline inhibitor (compound 26). | | 分子名称: | ETHYL 4-[(2-CYANOETHYL)SULFANYL]-6-{[6-(PIPERAZIN-1-YL), GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | | 著者 | Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W. | | 登録日 | 2016-04-06 | | 公開日 | 2017-02-15 | | 最終更新日 | 2017-06-28 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
|
|
4UFW
 | | Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 22) | | 分子名称: | 2-oxopentadecyl-CoA, 4-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide, CHLORIDE ION, ... | | 著者 | Yu, Z, Brannigan, J.A, Rangachari, K, Heal, W.P, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | | 登録日 | 2015-03-19 | | 公開日 | 2016-02-03 | | 最終更新日 | 2016-04-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Discovery of Pyridyl-Based Inhibitors of Plasmodium Falciparum N-Myristoyltransferase
Medchemcomm, 6, 2015
|
|
4UFX
 | | Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 19) | | 分子名称: | 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Yu, Z, Brannigan, J.A, Rangachari, K, Heal, W.P, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | | 登録日 | 2015-03-19 | | 公開日 | 2016-02-03 | | 最終更新日 | 2016-04-20 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Discovery of Pyridyl-Based Inhibitors of Plasmodium Falciparum N-Myristoyltransferase
Medchemcomm, 6, 2015
|
|
4UFV
 | | Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 18) | | 分子名称: | 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Yu, Z, Brannigan, J.A, Rangachari, K, Heal, W.P, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | | 登録日 | 2015-03-19 | | 公開日 | 2016-02-03 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Discovery of Pyridyl-Based Inhibitors of Plasmodium Falciparum N-Myristoyltransferase
Medchemcomm, 6, 2015
|
|
5A28
 | | Leishmania major N-myristoyltransferase in complex with a chlorophenyl 1,3,4-oxadiazole inhibitor. | | 分子名称: | 4-(4-chloro-2-{5-[(trimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}phenoxy)piperidine, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | | 著者 | 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. | | 登録日 | 2015-05-15 | | 公開日 | 2016-03-23 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Discovery of High Affinity Inhibitors of Leishmania Donovani N-Myristoyltransferase.
Medchemcomm, 6, 2015
|
|
5A27
 | | Leishmania major N-myristoyltransferase in complex with a chlorophenyl 1,2,4-oxadiazole inhibitor. | | 分子名称: | 5-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | | 著者 | 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. | | 登録日 | 2015-05-15 | | 公開日 | 2016-03-23 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Discovery of High Affinity Inhibitors of Leishmania Donovani N-Myristoyltransferase.
Medchemcomm, 6, 2015
|
|
4R1E
 | | Crystal Structure of MTIP from Plasmodium falciparum in complex with a peptide-fragment chimera | | 分子名称: | 5-{[(2-aminoethyl)sulfanyl]methyl}furan-2-carbaldehyde, Myosin A tail domain interacting protein, Myosin-A | | 著者 | Douse, C.H, Vrielink, N, Cota, E, Tate, E.W. | | 登録日 | 2014-08-05 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Targeting a Dynamic Protein-Protein Interaction: Fragment Screening against the Malaria Myosin A Motor Complex.
Chemmedchem, 10, 2015
|
|
4CGL
 | | Leishmania major N-myristoyltransferase in complex with an aminoacylpyrrolidine inhibitor | | 分子名称: | (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, ... | | 著者 | Brannigan, J.A, Roberts, S.M, Bell, A.S, Hutton, J.A, Smith, D.F, Tate, E.W, Leatherbarrow, R.J, Wilkinson, A.J. | | 登録日 | 2013-11-25 | | 公開日 | 2014-07-09 | | 最終更新日 | 2014-11-05 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors
Iucrj, 1, 2014
|
|
4CGN
 | | Leishmania major N-myristoyltransferase in complex with a piperidinylindole inhibitor | | 分子名称: | 2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)ethanamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | | 著者 | Brannigan, J.A, Roberts, S.M, Bell, A.S, Hutton, J.A, Smith, D.F, Tate, E.W, Leatherbarrow, R.J, Wilkinson, A.J. | | 登録日 | 2013-11-25 | | 公開日 | 2014-07-09 | | 最終更新日 | 2014-11-05 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors
Iucrj, 1, 2014
|
|
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 | 2014-11-05 | | 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
|
|
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 | 2014-11-05 | | 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
|
|
