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4CDU
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BU of 4cdu by Molmil
Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP3
分子名称: 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, CHLORIDE ION, SODIUM ION, ...
著者De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I.
登録日2013-11-06
公開日2014-02-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
9L44
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BU of 9l44 by Molmil
Neuraminidase of A/dairy cow/Minnesota/24_016288-003/2024 H5N1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase
著者Wang, X, Ge, J, Li, X.
登録日2024-12-19
公開日2025-07-02
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Neuraminidase of A/dairy cow/Minnesota/24_016288-003/2024 H5N1
To Be Published
8PNU
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BU of 8pnu by Molmil
Cryo-EM structure of styrene oxide isomerase bound to benzylamine inhibitor
分子名称: BENZYLAMINE, Nanobody, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Khanppnavar, B, Korkhov, V, Li, X.
登録日2023-07-02
公開日2024-04-03
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (2.12 Å)
主引用文献Structural basis of the Meinwald rearrangement catalysed by styrene oxide isomerase.
Nat.Chem., 16, 2024
8PNV
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BU of 8pnv by Molmil
Cryo-EM structure of styrene oxide isomerase
分子名称: Nanobody, PROTOPORPHYRIN IX CONTAINING FE, Styrene oxide isomerase
著者Khanppnavar, B, Korkhov, B, Li, X.
登録日2023-07-02
公開日2024-04-03
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.048 Å)
主引用文献Structural basis of the Meinwald rearrangement catalysed by styrene oxide isomerase.
Nat.Chem., 16, 2024
7F7G
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BU of 7f7g by Molmil
a linear Peptide Inhibitors in complex with GK domain
分子名称: DLG4 GK domain, UNK-ARG-ILE-ARG-ARG-ASP-GLU-TYR-LEU-LYS-ALA-ILE-GLN-UNK
著者Shang, Y, Huang, X, Li, X, Zhang, M.
登録日2021-06-29
公開日2022-02-23
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.446 Å)
主引用文献Entropy of stapled peptide inhibitors in free state is the major contributor to the improvement of binding affinity with the GK domain.
Rsc Chem Biol, 2, 2021
3CI9
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BU of 3ci9 by Molmil
Crystal Structure of the human HSBP1
分子名称: Heat shock factor-binding protein 1
著者Liu, X, Xu, L, Liu, Y, Zhu, G, Zhang, X.C, Li, X, Rao, Z.
登録日2008-03-11
公開日2009-01-20
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the hexamer of human heat shock factor binding protein 1
Proteins, 75, 2009
6LML
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BU of 6lml by Molmil
Cryo-EM structure of the human glucagon receptor in complex with Gi1
分子名称: Glucagon, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Qiao, A, Han, S, Li, X, Sun, F, Zhao, Q, Wu, B.
登録日2019-12-26
公開日2020-04-01
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural basis of Gsand Girecognition by the human glucagon receptor.
Science, 367, 2020
5ADY
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BU of 5ady by Molmil
Cryo-EM structures of the 50S ribosome subunit bound with HflX
分子名称: 23S RRNA, 50S RIBOSOMAL PROTEIN L1, 50S RIBOSOMAL PROTEIN L10, ...
著者Zhang, Y, Mandava, C.S, Cao, W, Li, X, Zhang, D, Li, N, Zhang, Y, Zhang, X, Qin, Y, Mi, K, Lei, J, Sanyal, S, Gao, N.
登録日2015-08-25
公開日2015-10-14
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Hflx is a Ribosome Splitting Factor Rescuing Stalled Ribosomes Under Stress Conditions
Nat.Struct.Mol.Biol., 22, 2015
6GQJ
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BU of 6gqj by Molmil
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
6GQO
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BU of 6gqo by Molmil
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
6GQM
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BU of 6gqm by Molmil
Crystal structure of human c-KIT kinase domain in complex with a small molecule inhibitor, AZD3229
分子名称: CHLORIDE ION, Mast/stem cell growth factor receptor Kit, ~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-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 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
6GQK
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BU of 6gqk by Molmil
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
6GQL
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BU of 6gql by Molmil
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
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
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
7R8D
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BU of 7r8d by Molmil
The structure of human ABCG1 E242Q with cholesterol
分子名称: CHOLESTEROL, Isoform 4 of ATP-binding cassette sub-family G member 1
著者Sun, Y, Li, X, Long, T.
登録日2021-06-26
公開日2021-09-08
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
7R88
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BU of 7r88 by Molmil
The structure of human ABCG5-I529W/ABCG8-WT
分子名称: 2C7 Fab heavy chain, 2C7 Fab light chain, ATP-binding cassette sub-family G member 5, ...
著者Sun, Y, Li, X, Long, T.
登録日2021-06-26
公開日2021-09-08
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
7R8A
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BU of 7r8a by Molmil
The structure of human ABCG5/ABCG8 purified from mammalian cells
分子名称: 2C7 Fab heavy chain, 2C7 Fab light chain, ATP-binding cassette sub-family G member 5, ...
著者Sun, Y, Li, X, Long, T.
登録日2021-06-26
公開日2021-09-08
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
7R8E
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BU of 7r8e by Molmil
The structure of human ABCG1 E242Q complexed with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, Isoform 4 of ATP-binding cassette sub-family G member 1, ...
著者Sun, Y, Li, X, Long, T.
登録日2021-06-26
公開日2021-09-08
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
7R89
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The structure of human ABCG5/ABCG8 purified from yeast
分子名称: 2C7 Fab heavy chain, 2C7 Fab light chain, ATP-binding cassette sub-family G member 5, ...
著者Sun, Y, Li, X, Long, T.
登録日2021-06-26
公開日2021-09-08
最終更新日2025-06-04
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
7R8B
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BU of 7r8b by Molmil
The structure of human ABCG5/ABCG8 supplemented with cholesterol
分子名称: 2C7 Fab heavy chain, 2C7 Fab light chain, ATP-binding cassette sub-family G member 5, ...
著者Sun, Y, Li, X, Long, T.
登録日2021-06-26
公開日2021-09-08
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
7R87
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BU of 7r87 by Molmil
The structure of human ABCG5-WT/ABCG8-I419E
分子名称: 2C7 Fab heavy chain, 2C7 Fab light chain, ATP-binding cassette sub-family G member 5, ...
著者Sun, Y, Li, X, Long, T.
登録日2021-06-26
公開日2021-09-08
最終更新日2025-06-04
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
7R8C
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BU of 7r8c by Molmil
The structure of human ABCG1
分子名称: Isoform 4 of ATP-binding cassette sub-family G member 1
著者Sun, Y, Li, X, Long, T.
登録日2021-06-26
公開日2021-09-08
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
8FN4
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Cryo-EM structure of RNase-treated RESC-A in trypanosomal RNA editing
分子名称: RNA-editing substrate-binding complex protein 1 (RESC1), RNA-editing substrate-binding complex protein 2 (RESC2), RNA-editing substrate-binding complex protein 3 (RESC3), ...
著者Liu, S, Wang, H, Li, X, Zhang, F, Lee, J.K.J, Li, Z, Yu, C, Zhao, X, Hu, J.J, Suematsu, T, Alvarez-Cabrera, A.L, Liu, Q, Zhang, L, Huang, L, Aphasizheva, I, Aphasizhev, R, Zhou, Z.H.
登録日2022-12-26
公開日2023-07-19
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis of gRNA stabilization and mRNA recognition in trypanosomal RNA editing.
Science, 381, 2023
8FN6
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Cryo-EM structure of RNase-untreated RESC-A in trypanosomal RNA editing
分子名称: ADENOSINE-5'-TRIPHOSPHATE, RNA-editing substrate-binding complex protein 1 (RESC1), RNA-editing substrate-binding complex protein 2 (RESC2), ...
著者Liu, S, Wang, H, Li, X, Zhang, F, Lee, J.K.J, Li, Z, Yu, C, Zhao, X, Hu, J.J, Suematsu, T, Alvarez-Cabrera, A.L, Liu, Q, Zhang, L, Huang, L, Aphasizheva, I, Aphasizhev, R, Zhou, Z.H.
登録日2022-12-27
公開日2023-07-19
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis of gRNA stabilization and mRNA recognition in trypanosomal RNA editing.
Science, 381, 2023

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