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BU of 6e22 by Molmil

Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
分子名称:	3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide, SULFATE ION, WD repeat-containing protein 5
著者	Phan, J, Fesik, S.W.
登録日	2018-07-10
公開日	2019-03-13
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity. Cell Rep, 26, 2019

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BU of 7tek by Molmil

SARS-CoV-2 3CLPro in complex with N-(4-(1H-pyrazol-4-yl)phenyl)-N-(3-chlorobenzyl)-2-(pyridin-3-yl)acetamide
分子名称:	3C-like proteinase, N-[(3-chlorophenyl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]-2-(pyridin-3-yl)acetamide
著者	Goins, C.M, Stauffer, S.R.
登録日	2022-01-05
公開日	2023-01-11
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	SARS-CoV-2 3CL-protease inhibitors derived from ML300: investigation of P1 and replacements of the 1,2,3-benzotriazole Med.Chem.Res., 2023

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BU of 7tel by Molmil

SARS-CoV-2 3CLPro in complex with N-(4-(1H-imidazol-4-yl)phenyl)-N-(3-chloro-5-fluorobenzyl)-2-(isoquinolin-4-yl)acetamide
分子名称:	3C-like proteinase, N-[(3-chloro-5-fluorophenyl)methyl]-N-[4-(1H-imidazol-4-yl)phenyl]-2-(isoquinolin-4-yl)acetamide
著者	Goins, C.M, Stauffer, S.R.
登録日	2022-01-05
公開日	2023-01-11
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (2.4 Å)
主引用文献	SARS-CoV-2 3CL-protease inhibitors derived from ML300: investigation of P1 and replacements of the 1,2,3-benzotriazole Med.Chem.Res., 2023

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BU of 6ufx by Molmil

WD repeat-containing protein 5 complexed with N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide (compound 13)
分子名称:	N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide, WD repeat-containing protein 5
著者	Rietz, T.A, Fesik, S.W, Zhao, B.
登録日	2019-09-25
公開日	2020-01-01
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (2.015 Å)
主引用文献	Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core. J.Med.Chem., 63, 2020

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BU of 6uik by Molmil

Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
分子名称:	5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide, WD repeat domanin 5
著者	Zhao, B.
登録日	2019-10-01
公開日	2020-04-15
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020

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BU of 6ucs by Molmil

Discovery and Structure-Based optimization of potent and selective WDR5 inhibitors containing a dihydroisoquinolinone bicyclic core
分子名称:	2-amino-3-{[(5P)-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoro-2-methylphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-1-methyl-1H-imidazol-3-ium, WD repeat-containing protein 5
著者	Zhao, B.
登録日	2019-09-17
公開日	2020-01-01
最終更新日	2024-05-15
実験手法	X-RAY DIFFRACTION (1.85 Å)
主引用文献	Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core. J.Med.Chem., 63, 2020

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BU of 6uif by Molmil

Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
分子名称:	4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide, WD repeat domain 5
著者	Zhao, B.
登録日	2019-09-30
公開日	2020-04-15
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (1.603 Å)
主引用文献	Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020

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BU of 6ujh by Molmil

Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
分子名称:	(2R)-2-(4-chlorophenyl)-3-oxobutanenitrile, DIMETHYL SULFOXIDE, SULFATE ION, ...
著者	Phan, J, Fesik, S.W.
登録日	2019-10-03
公開日	2020-04-15
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (1.493 Å)
主引用文献	Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020

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BU of 6uj4 by Molmil

Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
分子名称:	5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide, WD repeat domain 5
著者	Zhao, B.
登録日	2019-10-02
公開日	2020-04-15
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (1.53 Å)
主引用文献	Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020

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BU of 6ujl by Molmil

Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
分子名称:	6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol, WD repeat-containing protein 5
著者	Phan, J.
登録日	2019-10-03
公開日	2020-04-15
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (1.599 Å)
主引用文献	Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020

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BU of 6ujj by Molmil

Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
分子名称:	5-[4-(trifluoromethyl)phenyl]-1H-tetrazole, WD repeat-containing protein 5
著者	Phan, J.
登録日	2019-10-03
公開日	2020-04-15
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (1.731 Å)
主引用文献	Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020

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BU of 6uoz by Molmil

Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
分子名称:	5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide, WD repeat domain 5
著者	Zhao, B.
登録日	2019-10-16
公開日	2020-04-15
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (1.532 Å)
主引用文献	Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020

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BU of 6uhy by Molmil

WDR5 in complex with Myc site fragment inhibitor
分子名称:	1-cyclohexyl-1H-benzimidazole-5-carboxylic acid, WDR5
著者	Wang, F, Fesik, S.W.
登録日	2019-09-29
公開日	2020-04-15
最終更新日	2024-03-13
実験手法	X-RAY DIFFRACTION (1.26 Å)
主引用文献	Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020

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BU of 6uhz by Molmil

WDR5 in complex with Myc site fragment inhibitor
分子名称:	1-cyclohexyl-1H-benzotriazole-5-carboxylic acid, WDR5
著者	Wang, F, Fesik, S.w.
登録日	2019-09-29
公開日	2020-04-15
最終更新日	2024-03-13
実験手法	X-RAY DIFFRACTION (1.258 Å)
主引用文献	Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020

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