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5A4C
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BU of 5a4c by Molmil
FGFR1 ligand complex
分子名称: 1,2-ETHANEDIOL, 1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ...
著者Klein, T, Vajpai, N, Phillips, J.J, Davies, G, Holdgate, G.A, Phillips, C, Tucker, J.A, Norman, R.A, Scott, A.S, Higazi, D.R, Lowe, D, Thompson, G.S, Breeze, A.L.
登録日2015-06-05
公開日2015-08-05
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural and Dynamic Insights Into the Energetics of Activation Loop Rearrangement in Fgfr1 Kinase.
Nat.Commun., 6, 2015
5A46
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BU of 5a46 by Molmil
FGFR1 in complex with dovitinib
分子名称: 1,2-ETHANEDIOL, 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ...
著者Klein, T, Vajpai, N, Phillips, J.J, Davies, G, Holdgate, G.A, Phillips, C, Tucker, J.A, Norman, R.A, Scott, A.S, Higazi, D.R, Lowe, D, Thompson, G.S, Breeze, A.L.
登録日2015-06-05
公開日2015-08-05
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Structural and Dynamic Insights Into the Energetics of Activation Loop Rearrangement in Fgfr1 Kinase.
Nat.Commun., 6, 2015
5V9U
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BU of 5v9u by Molmil
Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C
分子名称: (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ...
著者Janes, M.R, Zhang, J, Li, L.-S, Hansen, R, Peters, U, Guo, X, Chen, Y, Babbar, A, Firdaus, S.J, Feng, J, Chen, J.H, Li, S, Brehmer, D, Darjania, L, Li, S, Long, Y.O, Thach, C, Liu, Y, Zarieh, A, Ely, T, Kucharski, J.M, Kessler, L.V, Wu, T, Wang, Y, Yao, Y, Deng, X, Zarrinkar, P, Dashyant, D, Lorenzi, M.V, Hu-Lowe, D, Patricelli, M.P, Ren, P, Liu, Y.
登録日2017-03-23
公開日2018-02-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor.
Cell, 172, 2018
4A7J
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Symmetric Dimethylation of H3 Arginine 2 is a Novel Histone Mark that Supports Euchromatin Maintenance
分子名称: HISTONE H3.1T, WD REPEAT-CONTAINING PROTEIN 5
著者Migliori, V, Muller, J, Phalke, S, Low, D, Bezzi, M, ChuenMok, W, Gunaratne, J, Capasso, P, Bassi, C, Cecatiello, V, DeMarco, A, Blackstock, W, Kuznetsov, V, Amati, B, Mapelli, M, Guccione, E.
登録日2011-11-14
公開日2012-01-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Symmetric Dimethylation of H3R2 is a Newly Identified Histone Mark that Supports Euchromatin Maintenance
Nat.Struct.Mol.Biol., 19, 2012
8TCG
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Integrin alpha-v beta-6 in complex with minibinder B6_BP_dslf
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V heavy chain, ...
著者Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D.
登録日2023-06-30
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
8TCF
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Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D.
登録日2023-06-30
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
5J40
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The X-ray structure of JCV Helicase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, SULFATE ION, ...
著者Ter Haar, E.
登録日2016-03-31
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
5J4Y
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The crystal structure of N-(4-(2-(thiazolo[5,4-c]pyridin-2-yl)phenoxy)phenyl)acetamide bound to JCV Helicase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, N-{4-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenoxy]phenyl}acetamide, ...
著者Ter Haar, E.
登録日2016-04-01
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
5J47
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The X-ray structure of Inhibitor Bound to JCV Helicase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2-phenoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, Large T antigen, ...
著者Ter Haar, E.
登録日2016-03-31
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
5J4V
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BU of 5j4v by Molmil
The crystal structure of Inhibitor Bound to JCV Helicase
分子名称: 2-(2-phenoxypyridin-3-yl)[1,3]thiazolo[5,4-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, ...
著者Ter Haar, E.
登録日2016-04-01
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
6BFT
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Structure of Bevacizumab Fab mutant in complex with VEGF
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Avastin Heavy Chain Fab fragment mutant, Avastin Light Chain Fab fragment mutant, ...
著者Christie, M, Christ, D.
登録日2017-10-27
公開日2018-10-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Stable human IgG antibody therapeutics with native framework structure
To Be Published
6BGT
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BU of 6bgt by Molmil
Structure of Trastuzumab Fab mutant in complex with Her2 extracellular domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Herceptin heavy chain Fab fragment mutant, Herceptin light chain mutant, ...
著者Christie, M, Christ, D.
登録日2017-10-29
公開日2018-10-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Stable human IgG antibody therapeutics with native framework structure
To Be Published
7LMV
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SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6
分子名称: Integrin inhibitor
著者Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D.
登録日2021-02-05
公開日2022-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
7LMX
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A HIGHLY SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 WITH A DISULFIDE
分子名称: Integrin inhibitor
著者Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D.
登録日2021-02-06
公開日2022-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
1JPS
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BU of 1jps by Molmil
Crystal structure of tissue factor in complex with humanized Fab D3h44
分子名称: immunoglobulin Fab D3H44, heavy chain, light chain, ...
著者Faelber, K, Kirchhofer, D, Presta, L, Kelley, R.F, Muller, Y.A.
登録日2001-08-03
公開日2002-02-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The 1.85 A resolution crystal structures of tissue factor in complex with humanized Fab D3h44 and of free humanized Fab D3h44: revisiting the solvation of antigen combining sites.
J.Mol.Biol., 313, 2001
1JPT
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Crystal Structure of Fab D3H44
分子名称: immunoglobulin Fab D3H44, heavy chain, immunoglobulin Fab D3h44, ...
著者Faelber, K, Kirchhofer, D, Presta, L, Kelley, R.F, Muller, Y.A.
登録日2001-08-03
公開日2002-02-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The 1.85 A resolution crystal structures of tissue factor in complex with humanized Fab D3h44 and of free humanized Fab D3h44: revisiting the solvation of antigen combining sites.
J.Mol.Biol., 313, 2001

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