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6GFY
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BU of 6gfy by Molmil
pVHL:EloB:EloC in complex with modified VH032 containing (3R,4S)-3-fluoro-4-hydroxyproline (ligand 14a)
分子名称: (2~{R},3~{R},4~{S})-1-[(2~{S})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Gadd, M.S, Testa, A, Ciulli, A.
登録日2018-05-02
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.
J. Am. Chem. Soc., 140, 2018
5D3N
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BU of 5d3n by Molmil
First bromodomain of BRD4 bound to inhibitor XD40
分子名称: 4-acetyl-3-ethyl-5-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
著者Wohlwend, D, Huegle, M.
登録日2015-08-06
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5D3T
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BU of 5d3t by Molmil
First bromodomain of BRD4 bound to inhibitor XD47
分子名称: 1,2-ETHANEDIOL, 4-acetyl-N-(3-carbamoylbenzyl)-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4, ...
著者Wohlwend, D, Huegle, M.
登録日2015-08-06
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5D24
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BU of 5d24 by Molmil
First bromodomain of BRD4 bound to inhibitor XD26
分子名称: 1,2-ETHANEDIOL, 4-acetyl-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
著者Wohlwend, D, Huegle, M, Gerhardt, S.
登録日2015-08-05
公開日2016-01-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5D3H
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BU of 5d3h by Molmil
First bromodomain of BRD4 bound to inhibitor XD29
分子名称: Bromodomain-containing protein 4, N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-4-(hydroxyacetyl)-5-methyl-1H-pyrrole-2-carboxamide
著者Wohlwend, D, Huegle, M, Weitzel, G.
登録日2015-08-06
公開日2016-01-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5D25
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BU of 5d25 by Molmil
First bromodomain of BRD4 bound to inhibitor XD27
分子名称: (R,R)-2,3-BUTANEDIOL, 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4, ...
著者Wohlwend, D, Huegle, M, Gerhardt, S.
登録日2015-08-05
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5D3S
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BU of 5d3s by Molmil
First bromodomain of BRD4 bound to inhibitor XD44
分子名称: (R,R)-2,3-BUTANEDIOL, 4-acetyl-3-ethyl-N-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4, ...
著者Wohlwend, D, Huegle, M.
登録日2015-08-06
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5D3J
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BU of 5d3j by Molmil
First bromodomain of BRD4 bound to inhibitor XD33
分子名称: 4-acetyl-N-[3-(diethylsulfamoyl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
著者Wohlwend, D, Huegle, M.
登録日2015-08-06
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5D3R
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BU of 5d3r by Molmil
First bromodomain of BRD4 bound to inhibitor XD42
分子名称: 4-acetyl-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
著者Wohlwend, D, Huegle, M.
登録日2015-08-06
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5D3L
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BU of 5d3l by Molmil
First bromodomain of BRD4 bound to inhibitor XD35
分子名称: 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxy-4-methylphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
著者Wohlwend, D, Huegle, M.
登録日2015-08-06
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5D3P
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BU of 5d3p by Molmil
First bromodomain of BRD4 bound to inhibitor XD41
分子名称: 1-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)carbonyl]-N-methyl-1H-indole-6-sulfonamide, Bromodomain-containing protein 4, NICKEL (II) ION
著者Wohlwend, D, Huegle, M.
登録日2015-08-06
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5D26
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BU of 5d26 by Molmil
First bromodomain of BRD4 bound to inhibitor XD28
分子名称: (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
著者Wohlwend, D, Huegle, M.
登録日2015-08-05
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
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