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5ML0
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BU of 5ml0 by Molmil
Bromodomain of Mouse PCAF with (R)-4-chloro-2-methyl-5-((1-methylpiperidin-3-yl)amino)pyridazin-3(2H)-one
分子名称: 1,2-ETHANEDIOL, 4-chlorol-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one, Histone acetyltransferase KAT2B
著者Chung, C.-W.
登録日2016-12-05
公開日2017-12-20
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe.
J. Med. Chem., 60, 2017
5MLJ
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BU of 5mlj by Molmil
Bromodomain of Human GCN5 with 4-bromo-2-methyl-5-(((3R,5R)-1-methyl-5-phenylpiperidin-3-yl)amino)pyridazin-3(2H)-one
分子名称: 1,2-ETHANEDIOL, 4-bromo-2-methyl-5-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyridazin-3-one, Histone acetyltransferase KAT2A
著者Chung, C.-W.
登録日2016-12-06
公開日2017-12-20
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe.
J. Med. Chem., 60, 2017
5MLI
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BU of 5mli by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 4-chloro-2-methyl-5-(methylamino)pyridazin-3(2H)-one
分子名称: 4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one, Bromodomain-containing protein 4
著者Chung, C.-W.
登録日2016-12-06
公開日2017-12-20
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe.
J. Med. Chem., 60, 2017
5MKY
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BU of 5mky by Molmil
BROMODOMAIN OF HUMAN BRD9 WITH 4-chloro-2-methyl-5-((2-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)amino)pyridazin-3(2H)-one
分子名称: 4-chloranyl-2-methyl-5-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-5-yl)amino]pyridazin-3-one, Bromodomain-containing protein 9
著者Chung, C.-W.
登録日2016-12-05
公開日2017-12-20
最終更新日2022-07-13
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe.
J. Med. Chem., 60, 2017
5MKZ
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BU of 5mkz by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 4-chloro-2-methyl-5-(((3-methylthiophen-2-yl)methyl)amino)pyridazin-3(2H)-one
分子名称: 4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one, Bromodomain-containing protein 4, GLYCEROL
著者Chung, C.-W.
登録日2016-12-05
公開日2017-12-20
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe.
J. Med. Chem., 60, 2017
5MGZ
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BU of 5mgz by Molmil
Streptomyces Spheroides NovO (8-demethylnovbiocic acid methyltransferase) with SAH
分子名称: 8-demethylnovobiocic acid C(8)-methyltransferase, ACETATE ION, GLYCEROL, ...
著者Chung, C.-W, Mosley, J, Sadler, J.C.
登録日2016-11-22
公開日2017-01-18
最終更新日2017-03-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Functional Basis of C-Methylation of Coumarin Scaffolds by NovO.
ACS Chem. Biol., 12, 2017
5MKX
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BU of 5mkx by Molmil
1.68A STRUCTURE PCAF BROMODOMAIN WITH 4-chloro-2-methyl-5-(methylamino)pyridazin-3(2H)-one
分子名称: 1,4-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one, ...
著者Chung, C.-W.
登録日2016-12-05
公開日2017-12-20
最終更新日2022-07-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe.
J. Med. Chem., 60, 2017
2LN8
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BU of 2ln8 by Molmil
The solution structure of theromacin
分子名称: Theromacin
著者Jung, S, Soennichsen, F.D, Hung, C.-W, Tholey, A, Boidin-Wichlacz, C, Hausgen, W, Gelhaus, C, Desel, C, Podschun, R, Watzig, V, Tasiemski, A, Leippe, M, Groetzinger, J.
登録日2011-12-20
公開日2012-03-14
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Macin family of antimicrobial proteins combines antimicrobial and nerve repair activities.
J.Biol.Chem., 287, 2012
4X8C
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BU of 4x8c by Molmil
Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK147
分子名称: CALCIUM ION, Protein-arginine deiminase type-4, [(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-benzimidazol-5-yl}methanone
著者Lewis, H.D, Bax, B.D, Chung, C.-W, Polyakova, O, Thorpe, J.
登録日2014-12-10
公開日2015-01-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation.
Nat.Chem.Biol., 11, 2015
4X8G
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BU of 4x8g by Molmil
Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK199
分子名称: CALCIUM ION, Protein-arginine deiminase type-4, [(3R)-3-aminopiperidin-1-yl][2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1H-benzimidazol-5-yl]methanone
著者Lewis, H.D, Bax, B.D, Chung, C.-W, Polyakova, O, Thorpe, J.
登録日2014-12-10
公開日2015-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation.
Nat.Chem.Biol., 11, 2015

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