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PDB: 157 件
7ATJ
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RECOMBINANT HORSERADISH PEROXIDASE C1A COMPLEX WITH CYANIDE AND FERULIC ACID
分子名称: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, CALCIUM ION, CYANIDE ION, ...
著者Henriksen, A, Smith, A.T, Gajhede, M.
登録日1999-04-26
公開日2000-01-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献The structures of the horseradish peroxidase C-ferulic acid complex and the ternary complex with cyanide suggest how peroxidases oxidize small phenolic substrates.
J.Biol.Chem., 274, 1999
6GQJ
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Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 18)
分子名称: 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide, Mast/stem cell growth factor receptor Kit
著者Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
登録日2018-06-07
公開日2018-09-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GNH
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Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and an Azepanyl Phenyl Benzylsulphonamide Ligand
分子名称: Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate
著者Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D.
登録日2018-05-30
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
J. Med. Chem., 61, 2018
6GQO
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Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 18)
分子名称: 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide, Vascular endothelial growth factor receptor 2
著者Ogg, D.J, Schimpl, M, Hardy, C.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
登録日2018-06-07
公開日2018-09-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GNS
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Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and an Azepanyl Phenyl Benzylsulphonamide Ligand
分子名称: Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, methyl 4-(azepan-1-yl)-3-[[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]sulfonylamino]benzoate
著者Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D.
登録日2018-05-31
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
J. Med. Chem., 61, 2018
6GQK
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Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 23)
分子名称: Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide
著者Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
登録日2018-06-07
公開日2018-09-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQP
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Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 23)
分子名称: Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide
著者Hardy, C.J, Schimpl, M, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
登録日2018-06-07
公開日2018-09-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQL
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Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 35)
分子名称: Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
著者Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
登録日2018-06-07
公開日2018-09-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQQ
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Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 35)
分子名称: Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
著者Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
登録日2018-06-07
公開日2018-09-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
5AG4
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CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE LIGAND
分子名称: (2S)-3-(3-chlorophenyl)-2-(pyridin-2-yl)-1,3-thiazolidin-4-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
著者Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H.
登録日2015-01-29
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Chemmedchem, 10, 2015
5AGE
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BU of 5age by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A BENZOMORPHOLINONE LIGAND
分子名称: 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-7-[4-(1-methylpiperidin-4-yl)butyl]-2H-1,4-benzoxazin-3(4H)-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
著者Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H.
登録日2015-01-29
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Chemmedchem, 10, 2015
5AG5
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CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE LIGAND
分子名称: (2R)-3-benzyl-2-(1H-indazol-5-yl)-1,3-thiazolidin-4-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
著者Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H.
登録日2015-01-29
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Chemmedchem, 10, 2015
5AG6
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CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE LIGAND
分子名称: (2R)-2-(4-hydroxy-3-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
著者Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H.
登録日2015-01-29
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Chemmedchem, 10, 2015
5AG7
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CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A BENZOMORPHOLINE LIGAND
分子名称: GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA, ethyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate
著者Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H.
登録日2015-01-29
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Chemmedchem, 10, 2015
7TZI
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Structure of a pseudomurein peptide ligase type E from Methanothermobacter thermautotrophicus
分子名称: Mur ligase family protein
著者Carbone, V, Schofield, L.R, Sutherland-Smith, A.J, Ronimus, R.S, Subedi, B.P.
登録日2022-02-15
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.911 Å)
主引用文献Structural characterisation of methanogen pseudomurein cell wall peptide ligases homologous to bacterial MurE/F murein peptide ligases.
Microbiology (Reading, Engl.), 168, 2022
1H5I
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BU of 1h5i by Molmil
X-ray induced reduction of horseradish peroxidase C1A Compound III (56-67% dose)
分子名称: ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ...
著者Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A.
登録日2001-05-22
公開日2002-05-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Catalytic Pathway of Horseradish Peroxidase at High Resolution
Nature, 417, 2002
1H5K
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BU of 1h5k by Molmil
X-ray induced reduction of horseradish peroxidase C1A Compound III (78-89% dose)
分子名称: ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ...
著者Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A.
登録日2001-05-22
公開日2002-05-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Catalytic Pathway of Horseradish Peroxidase at High Resolution
Nature, 417, 2002
1H5G
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BU of 1h5g by Molmil
X-ray induced reduction of horseradish peroxidase C1A Compound III (33-44% dose)
分子名称: ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ...
著者Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A.
登録日2001-05-21
公開日2002-05-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Catalytic Pathway of Horseradish Peroxidase at High Resolution
Nature, 417, 2002
1H5H
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BU of 1h5h by Molmil
X-ray induced reduction of horseradish peroxidase C1A Compound III (44-56% dose)
分子名称: ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ...
著者Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A.
登録日2001-05-22
公開日2002-06-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Catalytic Pathway of Horseradish Peroxidase at High Resolution
Nature, 417, 2002
1H5J
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X-ray induced reduction of horseradish peroxidase C1A Compound III (67-78% dose)
分子名称: ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ...
著者Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A.
登録日2001-05-22
公開日2002-05-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Catalytic Pathway of Horseradish Peroxidase at High Resolution
Nature, 417, 2002
1H5M
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BU of 1h5m by Molmil
X-ray induced reduction of horseradish peroxidase C1A Compound III (0-100% dose)
分子名称: ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ...
著者Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A.
登録日2001-05-22
公開日2002-05-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Catalytic Pathway of Horseradish Peroxidase at High Resolution
Nature, 417, 2002
1H5L
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BU of 1h5l by Molmil
X-ray induced reduction of horseradish peroxidase C1A Compound III (89-100% dose)
分子名称: ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ...
著者Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A.
登録日2001-05-22
公開日2002-06-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Catalytic Pathway of Horseradish Peroxidase at High Resolution
Nature, 417, 2002
1H5F
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BU of 1h5f by Molmil
X-ray induced reduction of horseradish peroxidase C1A Compound III (22-33% dose)
分子名称: ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ...
著者Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A.
登録日2001-05-21
公開日2002-05-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Catalytic Pathway of Horseradish Peroxidase at High Resolution
Nature, 417, 2002
1H55
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STRUCTURE OF HORSERADISH PEROXIDASE C1A COMPOUND II
分子名称: ACETATE ION, CALCIUM ION, OXYGEN ATOM, ...
著者Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A.
登録日2001-05-18
公開日2002-06-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献The Catalytic Pathway of Horseradish Peroxidase at High Resolution
Nature, 417, 2002
1H5E
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BU of 1h5e by Molmil
X-ray induced reduction of horseradish peroxidase C1A Compound III (11-22% dose)
分子名称: ACETATE ION, CALCIUM ION, PEROXIDASE C1A, ...
著者Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A.
登録日2001-05-21
公開日2002-05-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Catalytic Pathway of Horseradish Peroxidase at High Resolution
Nature, 417, 2002

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