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6FZ6
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BU of 6fz6 by Molmil
Crystal Structure of a radical SAM methyltransferase from Sphaerobacter thermophilus
分子名称: BROMIDE ION, GLYCEROL, IRON/SULFUR CLUSTER, ...
著者Hinchliffe, P, Shaw, J.M, Spencer, J.
登録日2018-03-14
公開日2019-04-10
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Crystal Structure of a radical SAM methyltransferase from Sphaerobacter thermophilus
To Be Published
5WP9
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BU of 5wp9 by Molmil
Structural Basis of Mitochondrial Receptor Binding and Constriction by Dynamin-Related Protein 1
分子名称: Dynamin-1-like protein, MAGNESIUM ION, Mitochondrial dynamics protein MID49, ...
著者Kalia, R, Wang, R.Y.R, Yusuf, A, Thomas, P.V, Agard, D.A, Shaw, J.M, Frost, A.
登録日2017-08-03
公開日2018-06-20
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.22 Å)
主引用文献Structural basis of mitochondrial receptor binding and constriction by DRP1.
Nature, 558, 2018
2XU6
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BU of 2xu6 by Molmil
MDV1 coiled coil domain
分子名称: MDV1 COILED COIL
著者Koirala, S, Bui, H.T, Schubert, H.L, Eckert, D.M, Hill, C.P, Kay, M.S, Shaw, J.M.
登録日2010-10-14
公開日2010-10-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular Architecture of a Dynamin Adaptor: Implications for Assembly of Mitochondrial Fission Complexes
J.Cell Biol., 191, 2010
4YHF
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BU of 4yhf by Molmil
Bruton's tyrosine kinase in complex with a t-butyl cyanoacrylamide inhibitor
分子名称: (2S)-2-({(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Paavilainen, V.O, McFarland, J.M, Taunton, J.
登録日2015-02-27
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Prolonged and tunable residence time using reversible covalent kinase inhibitors.
Nat.Chem.Biol., 11, 2015
7L5P
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BU of 7l5p by Molmil
Crystal structure of the covalently bonded complex of rilzabrutinib with BTK
分子名称: (2E)-2-{(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl}-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile, 1,2-ETHANEDIOL, SULFATE ION, ...
著者Bradshaw, J.M, Brameld, K.A, Mrosek, M, Lammens, A, Blaesse, M.
登録日2020-12-22
公開日2022-06-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献The Discovery Rilzabrutinib (PRN1008): A Reversible Covalent BTK Inhibitor for Immune Mediated Diseases
To Be Published
7L5O
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BU of 7l5o by Molmil
Crystal structure of the noncovalently bonded complex of rilzabrutinib with BTK
分子名称: (2E)-2-{(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl}-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Bradshaw, J.M, Brameld, K.A, Mrosek, M, Lammens, A, Blaesse, M.
登録日2020-12-22
公開日2022-06-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献The Discovery Rilzabrutinib (PRN1008): A Reversible Covalent BTK Inhibitor for Immune Mediated Diseases
To Be Published
3PJ1
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BU of 3pj1 by Molmil
Crystal structure of BTK kinase domain complexed with 3-(2,6-Dichloro-phenyl)-7-[4-(2-diethylamino-ethoxy)-phenylamino]-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
分子名称: 3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Tyrosine-protein kinase BTK
著者Kuglstatter, A, Wong, A.
登録日2010-11-08
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures.
Protein Sci., 20, 2011
3PIY
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BU of 3piy by Molmil
Crystal structure of BTK kinase domain complexed with R406
分子名称: 6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, Tyrosine-protein kinase BTK
著者Kuglstatter, A, Wong, A.
登録日2010-11-08
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures.
Protein Sci., 20, 2011
3PIZ
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BU of 3piz by Molmil
Crystal structure of BTK kinase domain complexed with (5-Amino-1-o-tolyl-1H-pyrazol-4-yl)-[3-(1-methanesulfonyl-piperidin-4-yl)-phenyl]-methanone
分子名称: Tyrosine-protein kinase BTK, [5-amino-1-(2-methylphenyl)-1H-pyrazol-4-yl]{3-[1-(methylsulfonyl)piperidin-4-yl]phenyl}methanone
著者Kuglstatter, A, Wong, A.
登録日2010-11-08
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures.
Protein Sci., 20, 2011
3PJ3
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BU of 3pj3 by Molmil
Crystal structure of BTK kinase domain complexed with 2-Methyl-5-[(E)-(3-phenyl-acryloyl)amino]-N-(2-phenyl-3H-imidazo[4,5-b]pyridin-6-yl)-benzamide
分子名称: 2-methyl-N-(2-phenyl-3H-imidazo[4,5-b]pyridin-6-yl)-5-{[(2E)-3-phenylprop-2-enoyl]amino}benzamide, Tyrosine-protein kinase BTK
著者Kuglstatter, A, Wong, A.
登録日2010-11-08
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures.
Protein Sci., 20, 2011
3PIX
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BU of 3pix by Molmil
Crystal structure of BTK kinase domain complexed with 2-Isopropyl-7-(4-methyl-piperazin-1-yl)-4-(5-methyl-2H-pyrazol-3-ylamino)-2H-phthalazin-1-one
分子名称: 7-(4-methylpiperazin-1-yl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(propan-2-yl)phthalazin-1(2H)-one, Tyrosine-protein kinase BTK
著者Kuglstatter, A, Wong, A.
登録日2010-11-08
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures.
Protein Sci., 20, 2011
3PJ2
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BU of 3pj2 by Molmil
Crystal structure of BTK kinase domain complexed with 2-[4-(2-Diethylamino-ethoxy)-phenylamino]-6-(4-fluoro-phenoxy)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
分子名称: 2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-6-(4-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Tyrosine-protein kinase BTK
著者Kuglstatter, A, Wong, A.
登録日2010-11-08
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures.
Protein Sci., 20, 2011
7QNY
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BU of 7qny by Molmil
The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with COVOX-58 and COVOX-158 Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-158 heavy chain, COVOX-158 light chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2021-12-23
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
7QNW
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BU of 7qnw by Molmil
The receptor binding domain of SARS-CoV-2 Omicron variant spike glycoprotein in complex with Beta-55 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Beta-55 heavy chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2021-12-23
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
7QNX
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BU of 7qnx by Molmil
The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with Beta-55 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-55 heavy chain, Beta-55 light chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2021-12-23
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
7L0N
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BU of 7l0n by Molmil
Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者Snell, G, Czudnochowski, N, Dillen, J, Nix, J.C, Croll, T.I, Corti, D.
登録日2020-12-11
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity.
Cell, 184, 2021

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件を2024-09-04に公開中

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